Literature DB >> 24526959

(1,4,7,10,13,16-Hexaoxa-cyclo-octa-decane-κ(6) O)bis-(tetra-hydro-furan-κO)potassium bis-[(1,2,3,4-η)-anthracene]cobalt(-I) tetra-hydro-furan monosolvate.

Haiyan He1, Wilhelm Klein1, Thomas F Fässler1.   

Abstract

The asymmetric unit of the title compound, [K(C12H24O6)(C4H8O)2][Co(C14H10)2]·C4H8O, consists of one cationic potassium complex, one anionic cobalt dianthracene complex and one tetra-hydro-furan solvent mol-ecule. The potassium cation is situated at the centre of an 18-crown-6 mol-ecule and between two tetra-hydro-furan mol-ecules, the latter coordin-ating above and below the mean plane formed by the O atoms of the crown ether mol-ecule. The Co atom is coordinated by eight C atoms of two anthracene mol-ecules in an η(4) manner. The third free tetra-hydro-furan mol-ecule shows orientational disorder on two partially occupied positions [occupancy ratio 0.561 (8):0.439 (8)].

Entities:  

Year:  2013        PMID: 24526959      PMCID: PMC3914043          DOI: 10.1107/S1600536813032510

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For the synthesis, see: Brennessel, Young & Ellis (2002 ▶); Brennessel & Ellis (2012 ▶). Other homoleptic transition metal-anthracene complexes are reported by Elschenbroich et al. (1984 ▶); Brennessel, Ellis, Pomije et al. (2002 ▶), Brennessel, Ellis, Roush et al. (2002 ▶); Brennessel et al. (2007 ▶); Jilek et al. (2008 ▶). For related structures, see: Hanic & Mills (1968 ▶); Veauthier et al. (2000 ▶); Wang & Fässler (2009 ▶); Woolf et al. (2011 ▶); Zhu et al. (2006 ▶). Zintl compounds and their chemistry are reviewed by Scharfe et al. (2011 ▶). For a description of the Cambridge Structural database, see: Allen (2002 ▶).

Experimental

Crystal data

[K(C12H24O6)(C4H8O)2][Co(C14H10)2]·C4H8O M = 935.09 Orthorhombic, a = 13.0428 (10) Å b = 13.3557 (10) Å c = 27.4939 (17) Å V = 4789.3 (6) Å3 Z = 4 Mo Kα radiation μ = 0.50 mm−1 T = 150 K 0.60 × 0.30 × 0.05 mm

Data collection

Oxford Diffraction Xcalibur 3 diffractometer Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2009 ▶) T min = 0.787, T max = 0.975 62002 measured reflections 9364 independent reflections 4717 reflections with I > 2σ(I) R int = 0.105

Refinement

R[F 2 > 2σ(F 2)] = 0.045 wR(F 2) = 0.076 S = 0.77 9364 reflections 604 parameters H-atom parameters constrained Δρmax = 0.96 e Å−3 Δρmin = −0.37 e Å−3 Absolute structure: Flack (1983 ▶), 4164 Friedel pairs Absolute structure parameter: −0.005 (14) Data collection: CrysAlis CCD (Oxford Diffraction, 2009 ▶); cell refinement: CrysAlis RED (Oxford Diffraction, 2009 ▶); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2012 ▶); software used to prepare material for publication: SHELXL97. Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536813032510/hg5364sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813032510/hg5364Isup2.hkl Additional supporting information: crystallographic information; 3D view; checkCIF report
[K(C12H24O6)(C4H8O)2][Co(C14H10)2]·C4H8OF(000) = 1992
Mr = 935.09Dx = 1.297 Mg m3
Orthorhombic, P212121Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2abCell parameters from 8368 reflections
a = 13.0428 (10) Åθ = 3.0–37.0°
b = 13.3557 (10) ŵ = 0.50 mm1
c = 27.4939 (17) ÅT = 150 K
V = 4789.3 (6) Å3Plate, brown-black
Z = 40.6 × 0.3 × 0.05 mm
Oxford Diffraction Xcalibur 3 diffractometer9364 independent reflections
Radiation source: Enhance (Mo) X-ray Source4717 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.105
Detector resolution: 16.0238 pixels mm-1θmax = 26.0°, θmin = 3.0°
ω and φ scansh = −16→16
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2009)k = −16→16
Tmin = 0.787, Tmax = 0.975l = −33→33
62002 measured reflections
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.045H-atom parameters constrained
wR(F2) = 0.076w = 1/[σ2(Fo2) + (0.0282P)2] where P = (Fo2 + 2Fc2)/3
S = 0.77(Δ/σ)max = 0.001
9364 reflectionsΔρmax = 0.96 e Å3
604 parametersΔρmin = −0.37 e Å3
0 restraintsAbsolute structure: Flack (1983), 4164 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: −0.005 (14)
Experimental. Absorption correction: CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET) (compiled Feb 27 2009,15:38:38) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.
xyzUiso*/UeqOcc. (<1)
Co10.53937 (4)0.06723 (4)0.164895 (18)0.03905 (16)
C10.4723 (3)−0.0533 (3)0.20524 (12)0.0363 (10)
H1A0.4912−0.06120.23950.044*
C20.4052 (3)0.0236 (3)0.19268 (15)0.0414 (11)
H2A0.36960.06320.21750.050*
C30.3975 (3)0.0471 (3)0.14262 (14)0.0406 (11)
H3A0.35540.10300.13100.049*
C40.4585 (3)−0.0103 (3)0.11044 (13)0.0340 (10)
H4A0.46540.01290.07680.041*
C50.4841 (3)−0.1143 (3)0.12119 (13)0.0312 (10)
C60.4895 (3)−0.1372 (3)0.17228 (13)0.0317 (10)
C70.5148 (3)−0.2325 (3)0.18608 (13)0.0357 (11)
H7A0.5188−0.24750.21910.043*
C80.5034 (3)−0.1878 (3)0.08783 (13)0.0328 (11)
H8A0.4992−0.17230.05490.039*
C90.5291 (3)−0.2855 (3)0.10141 (14)0.0347 (10)
C100.5349 (3)−0.3083 (3)0.15194 (14)0.0353 (10)
C110.5544 (3)−0.4078 (3)0.16562 (16)0.0463 (11)
H110.5552−0.42430.19850.056*
C120.5723 (3)−0.4807 (3)0.13190 (18)0.0546 (13)
H12A0.5846−0.54630.14170.066*
C130.5719 (3)−0.4563 (4)0.08267 (18)0.0560 (14)
H13A0.5872−0.50540.05980.067*
C140.5495 (3)−0.3612 (3)0.06738 (15)0.0433 (11)
H14A0.5478−0.34670.03430.052*
C150.7000 (3)0.0552 (3)0.16042 (13)0.0359 (10)
H15A0.7317−0.01000.16700.043*
C160.6616 (3)0.1113 (4)0.20014 (14)0.0471 (13)
H16A0.67410.09020.23380.056*
C170.6016 (3)0.1934 (4)0.18996 (17)0.0517 (13)
H17A0.56910.23300.21570.062*
C180.5812 (3)0.2105 (3)0.14003 (16)0.0434 (12)
H18A0.52630.25750.13160.052*
C190.6563 (3)0.1875 (3)0.10353 (14)0.0324 (11)
C200.7222 (3)0.1040 (3)0.11462 (13)0.0308 (10)
C210.7949 (3)0.0757 (3)0.08149 (13)0.0300 (10)
H21A0.83820.02250.08900.036*
C220.6683 (3)0.2359 (3)0.05967 (15)0.0375 (11)
H22A0.62580.28970.05240.045*
C230.7429 (3)0.2064 (3)0.02550 (14)0.0311 (11)
C240.8064 (3)0.1245 (3)0.03617 (14)0.0294 (10)
C250.8818 (3)0.0975 (3)0.00161 (14)0.0383 (11)
H25A0.92470.04350.00810.046*
C260.8929 (4)0.1485 (4)−0.04079 (15)0.0486 (13)
H26A0.94190.1279−0.06320.058*
C270.8327 (4)0.2301 (4)−0.05085 (16)0.0530 (14)
H27A0.84270.2661−0.07940.064*
C280.7575 (4)0.2585 (3)−0.01869 (15)0.0463 (12)
H280.71560.3128−0.02610.056*
K10.03957 (7)0.53903 (6)0.14969 (3)0.0335 (2)
O1−0.12066 (19)0.4278 (2)0.18781 (8)0.0373 (7)
O2−0.0500 (2)0.59109 (19)0.24092 (9)0.0443 (7)
O30.1468 (2)0.6590 (2)0.21494 (9)0.0417 (8)
O40.2056 (2)0.6488 (2)0.11633 (9)0.0398 (7)
O50.1262 (2)0.49597 (19)0.05842 (8)0.0378 (7)
O6−0.0561 (2)0.40644 (18)0.08827 (9)0.0394 (7)
C29−0.1834 (3)0.4796 (3)0.22131 (14)0.0486 (12)
H29A−0.23460.43460.23460.058*
H29B−0.21850.53420.20500.058*
C30−0.1184 (3)0.5193 (3)0.26089 (14)0.0446 (12)
H30A−0.16090.55030.28560.054*
H30B−0.08000.46530.27590.054*
C310.0203 (4)0.6271 (3)0.27595 (15)0.0577 (13)
H31A0.06130.57220.28840.069*
H31B−0.01650.65700.30290.069*
C320.0879 (4)0.7032 (3)0.25261 (16)0.0653 (15)
H32A0.04630.75680.23930.078*
H32B0.13330.73180.27680.078*
C330.2139 (3)0.7294 (3)0.19290 (15)0.0485 (13)
H33A0.26030.75640.21720.058*
H33B0.17440.78430.17940.058*
C340.2738 (3)0.6798 (3)0.15356 (15)0.0459 (12)
H34A0.32390.72620.14040.055*
H34B0.31010.62230.16650.055*
C350.2594 (3)0.6084 (3)0.07566 (15)0.0487 (13)
H35A0.30050.55160.08580.058*
H35B0.30470.65870.06200.058*
C360.1829 (3)0.5760 (3)0.03834 (13)0.0429 (11)
H36A0.13760.63120.03020.051*
H36B0.21770.55450.00900.051*
C370.0553 (3)0.4539 (3)0.02498 (12)0.0390 (10)
H37A0.09100.4309−0.00390.047*
H37B0.00530.50380.01530.047*
C380.0032 (3)0.3683 (3)0.04914 (13)0.0419 (11)
H38A−0.04080.33390.02610.050*
H38B0.05350.32100.06120.050*
C39−0.1043 (3)0.3312 (3)0.11580 (14)0.0431 (11)
H39A−0.05330.29330.13370.052*
H39B−0.14050.28560.09440.052*
C40−0.1786 (3)0.3792 (3)0.15067 (15)0.0447 (12)
H40A−0.22100.42750.13370.054*
H40B−0.22280.32870.16490.054*
O70.1415 (3)0.3777 (3)0.18754 (11)0.0738 (11)
C410.2195 (4)0.3313 (4)0.16068 (19)0.0842 (17)
H41A0.23070.36660.13030.101*
H41B0.20110.26250.15340.101*
C420.3122 (4)0.3344 (4)0.19089 (17)0.0776 (17)
H42A0.34990.39630.18610.093*
H42B0.35690.27810.18420.093*
C430.2681 (4)0.3285 (5)0.24082 (18)0.091 (2)
H43A0.25890.25950.25080.110*
H43B0.31170.36230.26420.110*
C440.1701 (4)0.3792 (4)0.23591 (16)0.0718 (16)
H44A0.11870.34560.25550.086*
H44B0.17600.44780.24710.086*
O8−0.0901 (3)0.6752 (3)0.11277 (14)0.1021 (15)
C45−0.1710 (6)0.7154 (5)0.1368 (2)0.147 (3)
H45A−0.22550.66620.13950.176*
H45B−0.15040.73450.16940.176*
C46−0.2049 (5)0.7953 (5)0.1129 (3)0.105 (2)
H46A−0.16860.85480.12340.126*
H46B−0.27750.80490.11880.126*
C47−0.1865 (5)0.7771 (4)0.0613 (2)0.097 (2)
H47A−0.15810.83570.04530.116*
H47B−0.24870.75680.04460.116*
C48−0.1109 (7)0.6943 (6)0.0635 (2)0.195 (5)
H48A−0.13870.63480.04810.234*
H48B−0.04850.71310.04670.234*
O90.1283 (5)1.0242 (5)0.0337 (2)0.074 (3)0.561 (8)
C490.1160 (9)1.0277 (10)0.0850 (4)0.048 (4)0.561 (8)
H49A0.04421.03600.09340.072*0.561 (8)
H49B0.15421.08350.09850.072*0.561 (8)
C500.1548 (17)0.9331 (15)0.1044 (5)0.128 (7)0.561 (8)
H50A0.09890.88830.11260.192*0.561 (8)
H50B0.19620.94430.13330.192*0.561 (8)
C510.218 (2)0.892 (2)0.0643 (13)0.118 (12)0.561 (8)
H51A0.28610.87540.07570.177*0.561 (8)
H51B0.18640.83160.05120.177*0.561 (8)
C520.2216 (7)0.9687 (8)0.0283 (4)0.068 (3)0.561 (8)
H52A0.22620.9400−0.00400.102*0.561 (8)
H52B0.28051.01170.03350.102*0.561 (8)
O100.0540 (11)0.9506 (9)0.1099 (4)0.112 (4)0.439 (8)
C530.095 (2)1.037 (3)0.0972 (11)0.169 (16)*0.439 (8)
H53A0.12871.07070.12410.254*0.439 (8)
H53B0.04611.08170.08180.254*0.439 (8)
C540.1791 (13)0.9867 (11)0.0571 (6)0.056 (4)*0.439 (8)
H54A0.15781.00260.02420.084*0.439 (8)
H54B0.24651.01550.06230.084*0.439 (8)
C550.185 (2)0.872 (3)0.0633 (11)0.066 (8)0.439 (8)
H55A0.23720.85110.08600.099*0.439 (8)
H55B0.19170.83680.03270.099*0.439 (8)
C560.0744 (11)0.8671 (12)0.0848 (5)0.094 (5)0.439 (8)
H56A0.02510.85960.05860.141*0.439 (8)
H56B0.06850.80930.10600.141*0.439 (8)
U11U22U33U12U13U23
Co10.0313 (3)0.0510 (4)0.0348 (3)−0.0066 (3)0.0057 (3)−0.0050 (3)
C10.034 (3)0.052 (3)0.023 (2)0.003 (3)0.0025 (19)−0.007 (2)
C20.042 (3)0.041 (3)0.041 (3)−0.009 (2)0.006 (2)−0.003 (2)
C30.042 (3)0.039 (3)0.040 (3)−0.001 (2)0.003 (2)0.007 (2)
C40.029 (3)0.044 (3)0.028 (2)−0.007 (3)−0.002 (2)0.011 (2)
C50.019 (3)0.047 (3)0.028 (2)−0.008 (2)0.0011 (18)0.008 (2)
C60.021 (2)0.044 (3)0.030 (2)−0.0082 (19)−0.0003 (18)0.005 (2)
C70.028 (3)0.051 (3)0.028 (2)−0.008 (2)−0.0022 (19)0.005 (2)
C80.030 (3)0.047 (3)0.021 (2)−0.005 (2)0.0027 (18)0.001 (2)
C90.031 (3)0.038 (3)0.035 (3)−0.006 (2)0.001 (2)0.001 (2)
C100.020 (2)0.039 (3)0.047 (3)0.002 (2)0.000 (2)0.015 (2)
C110.028 (3)0.057 (3)0.054 (3)−0.008 (2)0.000 (2)0.013 (3)
C120.038 (3)0.042 (3)0.084 (4)0.005 (2)0.004 (3)0.013 (3)
C130.042 (3)0.056 (4)0.069 (3)−0.001 (3)0.012 (2)−0.012 (3)
C140.041 (3)0.045 (3)0.043 (3)0.002 (3)0.002 (2)0.001 (2)
C150.032 (2)0.040 (3)0.035 (2)−0.002 (2)−0.002 (2)0.003 (2)
C160.040 (3)0.073 (4)0.029 (3)−0.010 (3)0.007 (2)0.006 (2)
C170.035 (3)0.073 (4)0.047 (3)−0.002 (3)0.012 (2)−0.023 (3)
C180.026 (3)0.044 (3)0.060 (3)0.001 (2)0.007 (2)−0.010 (2)
C190.035 (3)0.030 (3)0.033 (3)−0.009 (2)0.001 (2)−0.011 (2)
C200.022 (2)0.039 (3)0.031 (2)−0.006 (2)−0.0011 (19)−0.006 (2)
C210.020 (2)0.027 (2)0.044 (2)0.004 (2)0.0037 (19)−0.006 (2)
C220.035 (3)0.026 (3)0.051 (3)0.005 (2)−0.005 (2)−0.001 (2)
C230.034 (3)0.028 (3)0.031 (3)−0.006 (2)0.001 (2)−0.004 (2)
C240.028 (3)0.027 (3)0.034 (2)−0.008 (2)0.004 (2)−0.005 (2)
C250.036 (3)0.032 (3)0.047 (3)−0.001 (2)0.004 (2)−0.002 (2)
C260.053 (3)0.058 (3)0.035 (3)−0.022 (3)0.015 (2)−0.006 (3)
C270.069 (4)0.057 (4)0.033 (3)−0.025 (3)0.006 (3)0.012 (3)
C280.059 (4)0.040 (3)0.040 (3)0.000 (3)−0.015 (3)0.009 (2)
K10.0288 (5)0.0366 (5)0.0352 (5)−0.0008 (5)−0.0023 (4)−0.0025 (4)
O10.0298 (17)0.0412 (17)0.0408 (15)−0.0051 (15)0.0016 (14)−0.0076 (15)
O20.0363 (19)0.0461 (19)0.0506 (17)−0.0129 (17)0.0057 (16)−0.0120 (14)
O30.042 (2)0.041 (2)0.0417 (18)−0.0060 (16)0.0012 (15)−0.0150 (15)
O40.0295 (19)0.0456 (19)0.0441 (18)−0.0011 (15)0.0018 (15)−0.0061 (15)
O50.0342 (18)0.0434 (18)0.0357 (15)−0.0048 (15)0.0004 (14)0.0001 (14)
O60.0381 (19)0.0425 (18)0.0375 (16)0.0005 (16)0.0042 (14)−0.0034 (14)
C290.048 (3)0.049 (3)0.049 (3)−0.009 (3)0.017 (3)0.001 (2)
C300.034 (3)0.051 (3)0.049 (3)0.000 (3)0.005 (2)−0.012 (2)
C310.051 (3)0.073 (3)0.049 (3)−0.012 (3)0.017 (3)−0.034 (3)
C320.052 (4)0.074 (4)0.070 (4)−0.007 (3)−0.002 (3)−0.037 (3)
C330.041 (3)0.052 (3)0.052 (3)−0.018 (3)−0.015 (3)0.002 (3)
C340.034 (3)0.047 (3)0.057 (3)−0.008 (2)−0.001 (3)−0.004 (3)
C350.034 (3)0.054 (3)0.059 (3)−0.005 (2)0.017 (2)0.002 (2)
C360.043 (3)0.046 (3)0.039 (2)0.002 (3)0.014 (2)0.005 (2)
C370.040 (3)0.045 (3)0.031 (2)0.006 (2)0.002 (2)−0.005 (2)
C380.032 (3)0.044 (3)0.049 (3)0.000 (2)−0.007 (2)−0.009 (2)
C390.036 (3)0.041 (3)0.052 (3)−0.013 (2)−0.008 (2)−0.010 (3)
C400.028 (3)0.050 (3)0.055 (3)−0.006 (2)−0.002 (2)0.008 (2)
O70.066 (3)0.109 (3)0.046 (2)0.044 (2)−0.0049 (19)0.0008 (19)
C410.093 (5)0.103 (5)0.056 (3)0.030 (4)0.005 (4)−0.007 (4)
C420.045 (4)0.130 (5)0.058 (3)0.021 (3)0.001 (3)−0.034 (4)
C430.072 (5)0.139 (6)0.063 (4)0.047 (4)−0.010 (3)−0.012 (4)
C440.068 (4)0.100 (4)0.048 (3)0.011 (3)−0.007 (3)0.005 (3)
O80.105 (3)0.132 (3)0.069 (3)0.091 (3)0.007 (2)0.018 (3)
C450.210 (9)0.127 (7)0.104 (6)0.107 (6)0.051 (6)0.044 (5)
C460.086 (5)0.091 (5)0.138 (7)0.039 (4)0.013 (5)0.004 (5)
C470.152 (7)0.091 (5)0.049 (4)0.045 (4)−0.031 (4)0.007 (3)
C480.290 (11)0.207 (9)0.088 (6)0.195 (8)0.016 (6)0.016 (5)
O90.074 (6)0.076 (5)0.072 (5)0.019 (4)−0.012 (4)−0.008 (4)
C490.048 (7)0.058 (8)0.037 (6)−0.015 (6)0.028 (5)−0.006 (6)
C500.148 (19)0.148 (17)0.088 (11)−0.058 (15)−0.015 (11)0.071 (12)
C510.10 (2)0.035 (11)0.22 (2)−0.012 (13)−0.087 (19)−0.002 (13)
C520.056 (8)0.058 (8)0.091 (8)0.022 (6)−0.034 (6)−0.015 (7)
O100.106 (11)0.084 (8)0.146 (9)0.006 (8)0.012 (8)−0.025 (7)
C550.067 (18)0.07 (2)0.059 (12)−0.014 (12)−0.012 (10)0.020 (10)
C560.059 (12)0.105 (14)0.119 (12)−0.023 (10)0.007 (9)−0.018 (10)
Co1—C12.142 (4)C29—H29A0.9700
Co1—C21.997 (4)C29—H29B0.9700
Co1—C31.967 (4)C30—H30A0.9700
Co1—C42.104 (4)C30—H30B0.9700
Co1—C152.105 (4)C31—C321.491 (5)
Co1—C161.956 (4)C31—H31A0.9700
Co1—C171.993 (4)C31—H31B0.9700
Co1—C182.103 (4)C32—H32A0.9700
C1—C21.393 (5)C32—H32B0.9700
C1—C61.458 (5)C33—C341.490 (5)
C1—H1A0.9800C33—H33A0.9700
C2—C31.415 (5)C33—H33B0.9700
C2—H2A0.9800C34—H34A0.9700
C3—C41.415 (5)C34—H34B0.9700
C3—H3A0.9800C35—C361.495 (5)
C4—C51.459 (5)C35—H35A0.9700
C4—H4A0.9800C35—H35B0.9700
C5—C81.367 (5)C36—H36A0.9700
C5—C61.439 (5)C36—H36B0.9700
C6—C71.368 (5)C37—C381.487 (4)
C7—C101.406 (5)C37—H37A0.9700
C7—H7A0.9300C37—H37B0.9700
C8—C91.398 (5)C38—H38A0.9700
C8—H8A0.9300C38—H38B0.9700
C9—C141.402 (5)C39—C401.506 (5)
C9—C101.424 (5)C39—H39A0.9700
C10—C111.404 (5)C39—H39B0.9700
C11—C121.365 (5)C40—H40A0.9700
C11—H110.9300C40—H40B0.9700
C12—C131.392 (5)O7—C441.382 (4)
C12—H12A0.9300O7—C411.401 (5)
C13—C141.370 (5)C41—C421.468 (6)
C13—H13A0.9300C41—H41A0.9700
C14—H14A0.9300C41—H41B0.9700
C15—C161.416 (5)C42—C431.490 (6)
C15—C201.448 (5)C42—H42A0.9700
C15—H15A0.9800C42—H42B0.9700
C16—C171.375 (5)C43—C441.453 (6)
C16—H16A0.9800C43—H43A0.9700
C17—C181.417 (5)C43—H43B0.9700
C17—H17A0.9800C44—H44A0.9700
C18—C191.436 (5)C44—H44B0.9700
C18—H18A0.9800O8—C451.356 (6)
C19—C221.377 (5)O8—C481.405 (6)
C19—C201.441 (5)C45—C461.329 (6)
C20—C211.368 (4)C45—H45A0.9700
C21—C241.414 (5)C45—H45B0.9700
C21—H21A0.9300C46—C471.460 (6)
C22—C231.409 (5)C46—H46A0.9700
C22—H22A0.9300C46—H46B0.9700
C23—C241.403 (5)C47—C481.482 (7)
C23—C281.413 (5)C47—H47A0.9700
C24—C251.414 (5)C47—H47B0.9700
C25—C261.358 (5)C48—H48A0.9700
C25—H25A0.9300C48—H48B0.9700
C26—C271.372 (6)O9—C491.422 (13)
C26—H26A0.9300O9—C521.433 (11)
C27—C281.374 (6)C49—C501.46 (2)
C27—H27A0.9300C49—H49A0.9700
C28—H280.9300C49—H49B0.9700
K1—O82.683 (3)C50—C511.48 (4)
K1—O72.738 (3)C50—H50A0.9700
K1—O62.746 (2)C50—H50B0.9700
K1—O12.770 (3)C51—C521.43 (3)
K1—O42.771 (3)C51—H51A0.9700
K1—O32.782 (3)C51—H51B0.9700
K1—O52.811 (2)C52—H52A0.9700
K1—O22.853 (3)C52—H52B0.9700
O1—C401.426 (4)O10—C531.32 (3)
O1—C291.413 (4)O10—C561.340 (16)
O2—C301.420 (4)C53—C541.69 (3)
O2—C311.414 (4)C53—H53A0.9700
O3—C321.418 (4)C53—H53B0.9700
O3—C331.420 (4)C54—C551.54 (4)
O4—C341.419 (4)C54—H54A0.9700
O4—C351.426 (4)C54—H54B0.9700
O5—C361.413 (4)C55—C561.56 (3)
O5—C371.419 (4)C55—H55A0.9700
O6—C381.419 (4)C55—H55B0.9700
O6—C391.406 (4)C56—H56A0.9700
C29—C301.477 (5)C56—H56B0.9700
C16—Co1—C3164.10 (19)C36—O5—K1113.8 (2)
C16—Co1—C1740.74 (16)C37—O5—K1113.4 (2)
C3—Co1—C17127.3 (2)C39—O6—C38113.3 (3)
C16—Co1—C2127.78 (16)C39—O6—K1109.4 (2)
C3—Co1—C241.83 (14)C38—O6—K1116.8 (2)
C17—Co1—C2118.14 (17)O1—C29—C30108.9 (3)
C16—Co1—C1871.10 (17)O1—C29—H29A109.9
C3—Co1—C18105.48 (17)C30—C29—H29A109.9
C17—Co1—C1840.36 (15)O1—C29—H29B109.9
C2—Co1—C18128.11 (17)C30—C29—H29B109.9
C16—Co1—C4155.38 (18)H29A—C29—H29B108.3
C3—Co1—C440.52 (14)O2—C30—C29108.5 (3)
C17—Co1—C4150.03 (18)O2—C30—H30A110.0
C2—Co1—C471.89 (16)C29—C30—H30A110.0
C18—Co1—C4110.26 (16)O2—C30—H30B110.0
C16—Co1—C1540.61 (15)C29—C30—H30B110.0
C3—Co1—C15155.14 (16)H30A—C30—H30B108.4
C17—Co1—C1571.30 (16)O2—C31—C32108.8 (4)
C2—Co1—C15150.74 (17)O2—C31—H31A109.9
C18—Co1—C1578.04 (16)C32—C31—H31A109.9
C4—Co1—C15114.81 (15)O2—C31—H31B109.9
C16—Co1—C1107.61 (16)C32—C31—H31B109.9
C3—Co1—C170.99 (15)H31A—C31—H31B108.3
C17—Co1—C1128.51 (17)O3—C32—C31110.5 (3)
C2—Co1—C139.14 (14)O3—C32—H32A109.5
C18—Co1—C1163.30 (15)C31—C32—H32A109.5
C4—Co1—C178.10 (13)O3—C32—H32B109.5
C15—Co1—C1112.28 (16)C31—C32—H32B109.5
C2—C1—C6120.6 (3)H32A—C32—H32B108.1
C2—C1—Co164.8 (2)O3—C33—C34109.8 (3)
C6—C1—Co1101.1 (2)O3—C33—H33A109.7
C2—C1—H1A118.4C34—C33—H33A109.7
C6—C1—H1A118.4O3—C33—H33B109.7
Co1—C1—H1A118.4C34—C33—H33B109.7
C1—C2—C3116.7 (4)H33A—C33—H33B108.2
C1—C2—Co176.1 (3)O4—C34—C33108.9 (3)
C3—C2—Co168.0 (2)O4—C34—H34A109.9
C1—C2—H2A121.6C33—C34—H34A109.9
C3—C2—H2A121.6O4—C34—H34B109.9
Co1—C2—H2A121.6C33—C34—H34B109.9
C4—C3—C2116.6 (4)H34A—C34—H34B108.3
C4—C3—Co174.9 (2)O4—C35—C36108.6 (3)
C2—C3—Co170.2 (2)O4—C35—H35A110.0
C4—C3—H3A121.6C36—C35—H35A110.0
C2—C3—H3A121.6O4—C35—H35B110.0
Co1—C3—H3A121.6C36—C35—H35B110.0
C3—C4—C5121.2 (3)H35A—C35—H35B108.4
C3—C4—Co164.6 (2)O5—C36—C35107.5 (3)
C5—C4—Co1102.1 (2)O5—C36—H36A110.2
C3—C4—H4A118.1C35—C36—H36A110.2
C5—C4—H4A118.1O5—C36—H36B110.2
Co1—C4—H4A118.1C35—C36—H36B110.2
C8—C5—C6119.5 (4)H36A—C36—H36B108.5
C8—C5—C4126.2 (3)O5—C37—C38108.2 (3)
C6—C5—C4114.3 (3)O5—C37—H37A110.1
C7—C6—C5118.7 (3)C38—C37—H37A110.1
C7—C6—C1125.4 (3)O5—C37—H37B110.1
C5—C6—C1115.8 (4)C38—C37—H37B110.1
C6—C7—C10122.0 (3)H37A—C37—H37B108.4
C6—C7—H7A119.0O6—C38—C37108.2 (3)
C10—C7—H7A119.0O6—C38—H38A110.1
C5—C8—C9122.4 (3)C37—C38—H38A110.1
C5—C8—H8A118.8O6—C38—H38B110.1
C9—C8—H8A118.8C37—C38—H38B110.1
C8—C9—C14122.6 (3)H38A—C38—H38B108.4
C8—C9—C10118.2 (3)O6—C39—C40109.1 (3)
C14—C9—C10119.2 (4)O6—C39—K148.14 (16)
C11—C10—C7122.4 (4)C40—C39—K180.6 (2)
C11—C10—C9118.2 (4)O6—C39—H39A109.9
C7—C10—C9119.2 (3)C40—C39—H39A109.9
C12—C11—C10121.6 (4)K1—C39—H39A84.9
C12—C11—H11119.2O6—C39—H39B109.9
C10—C11—H11119.2C40—C39—H39B109.9
C11—C12—C13119.5 (4)K1—C39—H39B157.9
C11—C12—H12A120.3H39A—C39—H39B108.3
C13—C12—H12A120.3O1—C40—C39108.0 (3)
C14—C13—C12121.1 (4)O1—C40—H40A110.1
C14—C13—H13A119.5C39—C40—H40A110.1
C12—C13—H13A119.5O1—C40—H40B110.1
C13—C14—C9120.2 (4)C39—C40—H40B110.1
C13—C14—H14A119.9H40A—C40—H40B108.4
C9—C14—H14A119.9C44—O7—C41108.5 (4)
C16—C15—C20120.2 (4)C44—O7—K1119.1 (3)
C16—C15—Co164.0 (2)C41—O7—K1120.0 (3)
C20—C15—Co1102.5 (2)O7—C41—C42106.7 (4)
C16—C15—H15A118.5O7—C41—H41A110.4
C20—C15—H15A118.5C42—C41—H41A110.4
Co1—C15—H15A118.5O7—C41—H41B110.4
C17—C16—C15117.8 (4)C42—C41—H41B110.4
C17—C16—Co171.1 (3)H41A—C41—H41B108.6
C15—C16—Co175.3 (2)C41—C42—C43101.6 (4)
C17—C16—H16A121.1C41—C42—H42A111.4
C15—C16—H16A121.1C43—C42—H42A111.4
Co1—C16—H16A121.1C41—C42—H42B111.4
C16—C17—C18115.7 (4)C43—C42—H42B111.4
C16—C17—Co168.2 (3)H42A—C42—H42B109.3
C18—C17—Co174.0 (3)C44—C43—C42103.2 (4)
C16—C17—H17A122.0C44—C43—H43A111.1
C18—C17—H17A122.0C42—C43—H43A111.1
Co1—C17—H17A122.0C44—C43—H43B111.1
C17—C18—C19120.9 (4)C42—C43—H43B111.1
C17—C18—Co165.6 (3)H43A—C43—H43B109.1
C19—C18—Co1102.1 (3)O7—C44—C43108.7 (4)
C17—C18—H18A118.0O7—C44—H44A110.0
C19—C18—H18A118.0C43—C44—H44A110.0
Co1—C18—H18A118.0O7—C44—H44B110.0
C22—C19—C18126.1 (4)C43—C44—H44B110.0
C22—C19—C20118.7 (4)H44A—C44—H44B108.3
C18—C19—C20115.1 (4)C45—O8—C48104.4 (5)
C21—C20—C19119.1 (4)C45—O8—K1125.1 (4)
C21—C20—C15126.4 (4)C48—O8—K1127.6 (4)
C19—C20—C15114.4 (3)C46—C45—O8109.6 (6)
C20—C21—C24122.2 (4)C46—C45—H45A109.8
C20—C21—H21A118.9O8—C45—H45A109.8
C24—C21—H21A118.9C46—C45—H45B109.8
C19—C22—C23122.1 (4)O8—C45—H45B109.8
C19—C22—H22A118.9H45A—C45—H45B108.2
C23—C22—H22A118.9C45—C46—C47107.0 (5)
C24—C23—C22119.1 (4)C45—C46—H46A110.3
C24—C23—C28119.0 (4)C47—C46—H46A110.3
C22—C23—C28121.9 (4)C45—C46—H46B110.3
C23—C24—C25118.0 (4)C47—C46—H46B110.3
C23—C24—C21118.8 (4)H46A—C46—H46B108.6
C25—C24—C21123.2 (4)C46—C47—C48101.1 (5)
C26—C25—C24121.5 (4)C46—C47—H47A111.5
C26—C25—H25A119.2C48—C47—H47A111.5
C24—C25—H25A119.2C46—C47—H47B111.5
C25—C26—C27120.7 (4)C48—C47—H47B111.5
C25—C26—H26A119.7H47A—C47—H47B109.4
C27—C26—H26A119.7O8—C48—C47107.7 (5)
C26—C27—C28119.9 (4)O8—C48—H48A110.2
C26—C27—H27A120.0C47—C48—H48A110.2
C28—C27—H27A120.0O8—C48—H48B110.2
C27—C28—C23120.9 (4)C47—C48—H48B110.2
C27—C28—H28119.6H48A—C48—H48B108.5
C23—C28—H28119.6C49—O9—C52102.5 (8)
O8—K1—O7169.58 (13)O9—C49—C50107.1 (12)
O8—K1—O685.30 (11)O9—C49—H49A110.3
O7—K1—O686.94 (9)C50—C49—H49A110.3
O8—K1—O191.78 (11)O9—C49—H49B110.3
O7—K1—O178.47 (9)C50—C49—H49B110.3
O6—K1—O162.88 (8)H49A—C49—H49B108.5
O8—K1—O490.50 (11)C49—C50—C51104.1 (17)
O7—K1—O499.38 (9)C49—C50—H50A110.9
O6—K1—O4119.50 (8)C51—C50—H50A110.9
O1—K1—O4176.85 (8)C49—C50—H50B110.9
O8—K1—O399.82 (11)C51—C50—H50B110.9
O7—K1—O387.94 (9)H50A—C50—H50B109.0
O6—K1—O3174.87 (8)C52—C51—C50105 (2)
O1—K1—O3116.37 (8)C52—C51—H51A110.7
O4—K1—O361.05 (8)C50—C51—H51A110.7
O8—K1—O593.11 (10)C52—C51—H51B110.7
O7—K1—O589.04 (9)C50—C51—H51B110.7
O6—K1—O560.12 (8)H51A—C51—H51B108.8
O1—K1—O5122.08 (8)C51—C52—O9105.7 (17)
O4—K1—O559.92 (8)C51—C52—H52A110.6
O3—K1—O5119.43 (9)O9—C52—H52A110.6
O8—K1—O284.79 (10)C51—C52—H52B110.6
O7—K1—O293.24 (9)O9—C52—H52B110.6
O6—K1—O2120.77 (9)H52A—C52—H52B108.7
O1—K1—O259.27 (8)C53—O10—C56120.7 (16)
O4—K1—O2118.82 (8)O10—C53—C5495.1 (19)
O3—K1—O259.92 (8)O10—C53—H53A112.7
O5—K1—O2177.58 (8)C54—C53—H53A112.7
O8—K1—C3995.71 (12)O10—C53—H53B112.7
O7—K1—C3974.66 (11)C54—C53—H53B112.7
O6—K1—C3922.42 (7)H53A—C53—H53B110.2
O1—K1—C3942.80 (8)C55—C54—C53111 (2)
O4—K1—C39139.04 (9)C55—C54—H54A109.5
O3—K1—C39154.63 (9)C53—C54—H54A109.5
O5—K1—C3979.30 (9)C55—C54—H54B109.5
O2—K1—C39102.07 (9)C53—C54—H54B109.5
C29—O1—C40112.5 (3)H54A—C54—H54B108.1
C29—O1—K1114.9 (2)C54—C55—C5692 (2)
C40—O1—K1111.9 (2)C54—C55—H55A113.2
C31—O2—C30111.9 (3)C56—C55—H55A113.2
C31—O2—K1114.6 (2)C54—C55—H55B113.2
C30—O2—K1115.6 (2)C56—C55—H55B113.2
C32—O3—C33111.7 (3)H55A—C55—H55B110.6
C32—O3—K1116.0 (2)O10—C56—C55110.1 (16)
C33—O3—K1114.6 (2)O10—C56—H56A109.7
C34—O4—C35111.5 (3)C55—C56—H56A109.7
C34—O4—K1114.0 (2)O10—C56—H56B109.7
C35—O4—K1116.4 (2)C55—C56—H56B109.7
C36—O5—C37112.8 (3)H56A—C56—H56B108.2
C1—C2—C3—C40.3 (6)C18—C19—C22—C23−178.4 (4)
C6—C1—C2—C3−32.1 (5)C20—C19—C22—C23−0.1 (6)
C2—C3—C4—C530.9 (6)C19—C22—C23—C240.7 (6)
Co1—C1—C2—C356.2 (3)C19—C22—C23—C28−177.6 (4)
Co1—C2—C3—C460.7 (3)C22—C23—C24—C25−179.0 (4)
C1—C2—C3—Co1−60.4 (3)C28—C23—C24—C25−0.6 (5)
C2—C3—C4—Co1−58.2 (3)C22—C23—C24—C21−1.5 (5)
C6—C1—C2—Co1−88.2 (3)C28—C23—C24—C21176.9 (4)
Co1—C3—C4—C589.1 (4)C20—C21—C24—C231.8 (6)
C2—C1—C6—C532.8 (5)C20—C21—C24—C25179.2 (4)
C3—C4—C5—C6−29.3 (5)C23—C24—C25—C26−0.1 (6)
C2—C1—C6—C7−150.6 (4)C21—C24—C25—C26−177.6 (4)
C3—C4—C5—C8151.3 (4)C24—C25—C26—C271.7 (6)
C4—C5—C6—C1−2.0 (5)C25—C26—C27—C28−2.5 (7)
C8—C5—C6—C70.6 (5)C26—C27—C28—C231.8 (7)
C4—C5—C6—C7−178.9 (3)C24—C23—C28—C27−0.2 (6)
C8—C5—C6—C1177.4 (3)C22—C23—C28—C27178.2 (4)
C5—C6—C7—C10−0.4 (5)C40—O1—C29—C30174.6 (3)
C1—C6—C7—C10−177.0 (4)C31—O2—C30—C29−175.5 (3)
C6—C5—C8—C9−0.5 (6)O1—C29—C30—O264.4 (4)
C4—C5—C8—C9178.9 (4)C30—O2—C31—C32−178.9 (3)
C5—C8—C9—C14−179.6 (4)C33—O3—C32—C31−178.5 (4)
C5—C8—C9—C100.2 (6)O2—C31—C32—O3−63.1 (5)
C6—C7—C10—C11−175.8 (4)C32—O3—C33—C34−179.8 (3)
C6—C7—C10—C90.2 (6)C35—O4—C34—C33175.0 (3)
C8—C9—C10—C11176.1 (4)O3—C33—C34—O464.6 (4)
C14—C9—C10—C11−4.0 (6)C34—O4—C35—C36179.2 (3)
C8—C9—C10—C7−0.1 (6)C37—O5—C36—C35−175.9 (3)
C14—C9—C10—C7179.8 (4)O4—C35—C36—O5−65.6 (4)
C7—C10—C11—C12179.0 (4)C36—O5—C37—C38177.8 (3)
C9—C10—C11—C123.0 (6)C39—O6—C38—C37−176.4 (3)
C10—C11—C12—C130.4 (6)O5—C37—C38—O665.3 (4)
C11—C12—C13—C14−2.9 (6)C38—O6—C39—C40−170.6 (3)
C12—C13—C14—C91.8 (7)C29—O1—C40—C39177.1 (3)
C8—C9—C14—C13−178.4 (4)O6—C39—C40—O1−72.0 (4)
C10—C9—C14—C131.7 (6)C44—O7—C41—C42−18.9 (6)
C15—C16—C17—C182.5 (6)O7—C41—C42—C4331.5 (6)
C20—C15—C16—C1730.8 (6)C41—C42—C43—C44−31.8 (6)
C16—C17—C18—C19−34.3 (6)C41—O7—C44—C43−2.3 (6)
Co1—C15—C16—C17−58.9 (4)C42—C43—C44—O722.0 (6)
Co1—C16—C17—C18−58.6 (4)C48—O8—C45—C46−32.4 (8)
C15—C16—C17—Co161.1 (3)O8—C45—C46—C4731.7 (9)
C16—C17—C18—Co155.5 (3)C45—C46—C47—C48−17.0 (8)
C20—C15—C16—Co189.7 (3)C45—O8—C48—C4720.0 (8)
Co1—C17—C18—C19−89.8 (4)C46—C47—C48—O8−2.1 (8)
C16—C15—C20—C19−32.2 (5)C52—O9—C49—C50−34.7 (11)
C17—C18—C19—C2031.7 (5)O9—C49—C50—C5117.2 (18)
C16—C15—C20—C21150.7 (4)C49—C50—C51—C527 (2)
C17—C18—C19—C22−149.9 (4)C50—C51—C52—O9−29 (2)
C18—C19—C20—C151.5 (5)C49—O9—C52—C5139.4 (15)
C22—C19—C20—C210.4 (5)C56—O10—C53—C54−11 (3)
C18—C19—C20—C21178.8 (3)O10—C53—C54—C55−13 (3)
C22—C19—C20—C15−177.0 (3)C53—C54—C55—C5626 (2)
C19—C20—C21—C24−1.2 (6)C53—O10—C56—C5531 (3)
C15—C20—C21—C24175.8 (3)C54—C55—C56—O10−32 (2)
  10 in total

1.  The Cambridge Structural Database: a quarter of a million crystal structures and rising.

Authors:  Frank H Allen
Journal:  Acta Crystallogr B       Date:  2002-05-29

2.  Bis(1,2,3,4-eta4-anthracene)cobaltate(1-).

Authors:  William W Brennessel; Victor G Young; John E Ellis
Journal:  Angew Chem Int Ed Engl       Date:  2002-04-02       Impact factor: 15.336

3.  Oxidative addition of dihydrogen to (eta6-arene)Mo(PMe3)3 complexes: origin of the naphthalene and anthracene effects.

Authors:  Guang Zhu; Kevin E Janak; Joshua S Figueroa; Gerard Parkin
Journal:  J Am Chem Soc       Date:  2006-04-26       Impact factor: 15.419

4.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

5.  Zintl ions, cage compounds, and intermetalloid clusters of Group 14 and Group 15 elements.

Authors:  Sandra Scharfe; Florian Kraus; Saskia Stegmaier; Annette Schier; Thomas F Fässler
Journal:  Angew Chem Int Ed Engl       Date:  2011-03-31       Impact factor: 15.336

6.  Naphthalene and anthracene cobaltates(1-): useful storable sources of an atomic cobalt anion.

Authors:  William W Brennessel; John E Ellis
Journal:  Inorg Chem       Date:  2012-08-09       Impact factor: 5.165

7.  Tris(1-4-eta 4-anthracene)niobate(1-), the first polyaromatic hydrocarbon complex of niobium.

Authors:  William W Brennessel; John E Ellis; Sergey N Roush; Brian R Strandberg; Oliver E Woisetschläger; Victor G Young
Journal:  Chem Commun (Camb)       Date:  2002-10-21       Impact factor: 6.222

8.  Structurally distinct homoleptic anthracene complexes, [M(C14H10)3]2-, M = titanium, zirconium, hafnium: tris(arene) complexes for a triad of transition metals.

Authors:  Robert E Jilek; Meehae Jang; Eric D Smolensky; J Doyle Britton; John E Ellis
Journal:  Angew Chem Int Ed Engl       Date:  2008       Impact factor: 15.336

9.  Bis(1,2,3,4-eta4-anthracene)ferrate(1-): a paramagnetic homoleptic polyarene transition-metal anion.

Authors:  William W Brennessel; Robert E Jilek; John E Ellis
Journal:  Angew Chem Int Ed Engl       Date:  2007       Impact factor: 15.336

10.  Tris(eta4-naphthalene)- and tris(1-4-eta4-anthracene)tantalate(1-): first homoleptic arene complexes of anionic tantalum.

Authors:  William W Brennessel; John E Ellis; Marie K Pomije; Victor J Sussman; Eugenijus Urnezius; Victor G Young
Journal:  J Am Chem Soc       Date:  2002-09-04       Impact factor: 15.419

  10 in total
  1 in total

1.  Metallocages for Metal Anions: Highly Charged [Co@Ge9 ]5- and [Ru@Sn9 ]6- Clusters Featuring Spherically Encapsulated Co1- and Ru2- Anions.

Authors:  Benedikt J L Witzel; Wilhelm Klein; Jasmin V Dums; Marina Boyko; Thomas F Fässler
Journal:  Angew Chem Int Ed Engl       Date:  2019-08-21       Impact factor: 15.336

  1 in total

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