Literature DB >> 21579648

[μ-Bis(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-[(penta-fluoro-phen-yl)diphenyl-phosphine-3κP]-triangulo-triruthenium(0) chloro-form monosolvate.

Omar Bin Shawkataly, Imthyaz Ahmed Khan, Chin Sing Yeap, Hoong-Kun Fun.   

Abstract

The asymmetric unit of the title triangulo-triruthenium compound, [Ru(3)(C(25)H(22)As(2))(C(18)H(10)F(5)P)(CO)(9)]·CHCl(3), contains one mol-ecule of the triangulo-triruthenium complex and one mol-ecule of the disordered chloro-form solvent. The bis-(diphenyl-arsino)methane ligand bridges an Ru-Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the arsine and phosphine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The phosphine-substituted benzene rings make dihedral angles of 68.43 (15), 65.14 (14) and 89.75 (14)° with each other. The dihedral angles between the two benzene rings are 80.70 (15) and 84.53 (16)° for the two diphenyl-arsino groups. In the crystal packing, the mol-ecules are linked into a plane parallel to bc by inter-molecular C-H⋯O and C-H⋯F hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure.

Entities:  

Year:  2010        PMID: 21579648      PMCID: PMC2979800          DOI: 10.1107/S1600536809055275

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


Related literature

For general background to triangulo-triruthenium derivatives, see: Bruce et al. (1985 ▶, 1988a ▶,b ▶). For related structures, see: Shawkataly et al. (1998 ▶, 2004 ▶, 2009 ▶). For the synthesis of μ-bis­(diphenyl­arsino)methane­deccarbonyl­triruthenium(0), see: Bruce et al. (1983 ▶). For the stability of the temperature controller used for the data collection, see: Cosier & Glazer (1986 ▶).

Experimental

Crystal data

[Ru3(C25H22As2)(C18H10F5P)(CO)9]·CHCl3 M = 1499.16 Triclinic, a = 12.6354 (3) Å b = 14.1572 (3) Å c = 16.2418 (4) Å α = 81.497 (1)° β = 81.452 (1)° γ = 74.994 (1)° V = 2756.86 (11) Å3 Z = 2 Mo Kα radiation μ = 2.25 mm−1 T = 100 K 0.46 × 0.20 × 0.14 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.427, T max = 0.745 83481 measured reflections 15949 independent reflections 13916 reflections with I > 2σ(I) R int = 0.028

Refinement

R[F 2 > 2σ(F 2)] = 0.032 wR(F 2) = 0.088 S = 1.07 15949 reflections 702 parameters 6 restraints H-atom parameters constrained Δρmax = 2.05 e Å−3 Δρmin = −1.70 e Å−3 Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009 ▶). Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809055275/rz2405sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536809055275/rz2405Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Ru3(C25H22As2)(C18H10F5P)(CO)9]·CHCl3Z = 2
Mr = 1499.16F(000) = 1464
Triclinic, P1Dx = 1.806 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 12.6354 (3) ÅCell parameters from 9981 reflections
b = 14.1572 (3) Åθ = 2.5–35.0°
c = 16.2418 (4) ŵ = 2.25 mm1
α = 81.497 (1)°T = 100 K
β = 81.452 (1)°Block, red
γ = 74.994 (1)°0.46 × 0.20 × 0.14 mm
V = 2756.86 (11) Å3
Bruker SMART APEXII CCD area-detector diffractometer15949 independent reflections
Radiation source: fine-focus sealed tube13916 reflections with I > 2σ(I)
graphiteRint = 0.028
φ and ω scansθmax = 30.0°, θmin = 1.3°
Absorption correction: multi-scan (SADABS; Bruker, 2005)h = −17→17
Tmin = 0.427, Tmax = 0.745k = −19→19
83481 measured reflectionsl = −22→22
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.032Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.088H-atom parameters constrained
S = 1.07w = 1/[σ2(Fo2) + (0.0344P)2 + 8.2555P] where P = (Fo2 + 2Fc2)/3
15949 reflections(Δ/σ)max = 0.001
702 parametersΔρmax = 2.05 e Å3
6 restraintsΔρmin = −1.69 e Å3
Experimental. The crystal was placed in the cold stream of an Oxford Cyrosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K.
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)
Ru10.524202 (17)0.149640 (15)0.235137 (13)0.01477 (5)
Ru20.464067 (17)0.348007 (15)0.276292 (13)0.01422 (5)
Ru30.306485 (17)0.231861 (16)0.312682 (14)0.01602 (5)
As10.69998 (2)0.17494 (2)0.166538 (17)0.01419 (6)
As20.64874 (2)0.37420 (2)0.256950 (17)0.01438 (6)
P10.21075 (6)0.11577 (5)0.29766 (4)0.01570 (13)
F10.32445 (16)0.01111 (13)0.13905 (11)0.0256 (4)
F20.2792 (2)0.06177 (15)−0.01870 (12)0.0350 (5)
F30.10632 (19)0.21441 (16)−0.05752 (12)0.0338 (5)
F4−0.01665 (16)0.32048 (16)0.06474 (13)0.0325 (4)
F50.02756 (14)0.27309 (14)0.22319 (11)0.0247 (4)
O10.41632 (18)0.19539 (17)0.07211 (14)0.0251 (4)
O20.5609 (2)−0.06487 (17)0.20836 (17)0.0336 (5)
O30.61565 (19)0.08889 (18)0.40559 (14)0.0282 (5)
O40.4936 (2)0.28944 (17)0.46205 (14)0.0284 (5)
O50.3194 (2)0.54971 (17)0.30900 (15)0.0319 (5)
O60.45619 (19)0.40229 (17)0.08624 (14)0.0253 (4)
O70.23052 (18)0.35871 (17)0.15241 (15)0.0270 (5)
O80.1254 (2)0.3807 (2)0.40125 (19)0.0401 (6)
O90.3746 (2)0.1271 (2)0.48352 (15)0.0324 (5)
C10.8252 (2)0.0604 (2)0.16541 (18)0.0178 (5)
C20.9180 (2)0.0583 (2)0.10684 (18)0.0196 (5)
H2A0.92020.11140.06600.023*
C31.0078 (2)−0.0238 (2)0.1095 (2)0.0233 (6)
H3A1.0696−0.02510.07020.028*
C41.0053 (3)−0.1031 (2)0.1703 (2)0.0254 (6)
H4A1.0650−0.15770.17190.030*
C50.9128 (3)−0.1009 (2)0.2292 (2)0.0268 (6)
H5A0.9112−0.15370.27040.032*
C60.8228 (2)−0.0199 (2)0.22656 (19)0.0216 (5)
H6A0.7608−0.01910.26560.026*
C70.7080 (2)0.2292 (2)0.04967 (16)0.0168 (5)
C80.7381 (3)0.3180 (2)0.02187 (19)0.0232 (6)
H8A0.75720.35250.05950.028*
C90.7392 (3)0.3543 (2)−0.0628 (2)0.0289 (7)
H9A0.75870.4135−0.08150.035*
C100.7116 (3)0.3027 (2)−0.11942 (19)0.0281 (7)
H10A0.71320.3270−0.17590.034*
C110.6815 (3)0.2148 (2)−0.09154 (19)0.0259 (6)
H11A0.66320.1801−0.12950.031*
C120.6786 (2)0.1783 (2)−0.00691 (18)0.0211 (5)
H12A0.65720.12000.01170.025*
C130.7620 (2)0.2601 (2)0.22097 (17)0.0162 (5)
H13A0.79590.22240.26930.019*
H13B0.81900.28250.18220.019*
C140.6792 (2)0.4828 (2)0.17732 (17)0.0175 (5)
C150.5925 (2)0.5543 (2)0.14568 (18)0.0212 (5)
H15A0.52020.55060.16370.025*
C160.6136 (3)0.6314 (2)0.0871 (2)0.0256 (6)
H16A0.55550.67920.06590.031*
C170.7214 (3)0.6368 (3)0.0605 (2)0.0289 (7)
H17A0.73560.68770.02070.035*
C180.8085 (3)0.5662 (3)0.0930 (2)0.0277 (6)
H18A0.88080.57010.07500.033*
C190.7876 (2)0.4900 (2)0.1523 (2)0.0222 (6)
H19A0.84560.44380.17530.027*
C200.7044 (2)0.4011 (2)0.35381 (17)0.0181 (5)
C210.6342 (3)0.4680 (3)0.4041 (2)0.0320 (7)
H21A0.56210.49570.39210.038*
C220.6710 (3)0.4935 (3)0.4722 (3)0.0400 (9)
H22A0.62350.53800.50590.048*
C230.7785 (3)0.4529 (3)0.4900 (2)0.0295 (7)
H23A0.80320.47070.53520.035*
C240.8481 (3)0.3866 (2)0.4410 (2)0.0257 (6)
H24A0.92010.35930.45320.031*
C250.8117 (2)0.3596 (2)0.37293 (19)0.0219 (5)
H25A0.85910.31390.34030.026*
C260.1728 (2)0.1353 (2)0.19005 (17)0.0180 (5)
C270.2360 (2)0.0849 (2)0.12485 (18)0.0205 (5)
C280.2146 (3)0.1108 (2)0.04191 (18)0.0244 (6)
C290.1278 (3)0.1885 (2)0.02168 (19)0.0257 (6)
C300.0648 (2)0.2423 (2)0.08410 (19)0.0234 (6)
C310.0880 (2)0.2150 (2)0.16600 (18)0.0199 (5)
C320.2689 (2)−0.0174 (2)0.31666 (17)0.0187 (5)
C330.3620 (3)−0.0532 (2)0.35865 (19)0.0238 (6)
H33A0.3986−0.00950.37230.029*
C340.4008 (3)−0.1537 (3)0.3805 (2)0.0303 (7)
H34A0.4637−0.17680.40790.036*
C350.3467 (3)−0.2193 (2)0.3617 (2)0.0305 (7)
H35A0.3723−0.28650.37710.037*
C360.2530 (3)−0.1846 (2)0.3193 (2)0.0269 (6)
H36A0.2164−0.22870.30640.032*
C370.2147 (3)−0.0846 (2)0.29670 (18)0.0223 (6)
H37A0.1527−0.06190.26810.027*
C380.0781 (2)0.1203 (2)0.36324 (17)0.0179 (5)
C39−0.0093 (2)0.0919 (2)0.33857 (18)0.0196 (5)
H39A−0.00490.07620.28440.023*
C40−0.1028 (2)0.0870 (2)0.39465 (19)0.0213 (5)
H40A−0.16040.06760.37780.026*
C41−0.1109 (2)0.1109 (2)0.4755 (2)0.0241 (6)
H41A−0.17400.10840.51240.029*
C42−0.0244 (3)0.1386 (2)0.50100 (18)0.0233 (6)
H42A−0.02900.15370.55540.028*
C430.0695 (2)0.1438 (2)0.44474 (18)0.0206 (5)
H43A0.12690.16310.46180.025*
C440.4530 (2)0.1837 (2)0.13446 (18)0.0194 (5)
C450.5443 (2)0.0156 (2)0.21989 (19)0.0225 (6)
C460.5774 (2)0.1157 (2)0.34376 (18)0.0201 (5)
C470.4802 (2)0.3059 (2)0.39310 (19)0.0205 (5)
C480.3746 (2)0.4735 (2)0.29795 (17)0.0201 (5)
C490.4575 (2)0.3773 (2)0.15634 (18)0.0190 (5)
C500.2671 (2)0.3107 (2)0.20913 (19)0.0216 (5)
C510.1929 (3)0.3231 (2)0.3690 (2)0.0253 (6)
C520.3560 (2)0.1641 (2)0.41851 (19)0.0225 (6)
Cl1A0.9948 (5)0.6545 (2)0.3796 (2)0.1120 (18)0.50
Cl2A0.8101 (3)0.6591 (3)0.2961 (3)0.0877 (11)0.50
Cl3A1.0299 (3)0.5688 (6)0.2281 (2)0.128 (2)0.50
C53A0.9402 (11)0.5940 (8)0.3180 (6)0.071 (4)0.50
H53A0.93340.53100.34970.086*0.50
Cl1B0.7461 (4)0.7106 (3)0.2760 (3)0.0970 (12)*0.50
Cl2B0.8857 (6)0.6721 (5)0.4055 (4)0.140 (2)*0.50
Cl3B0.9765 (4)0.6119 (4)0.2435 (3)0.1025 (13)*0.50
C53B0.8682 (13)0.6310 (13)0.3144 (10)0.089 (5)*0.50
H53B0.85120.56670.33160.107*0.50
U11U22U33U12U13U23
Ru10.01463 (9)0.01510 (9)0.01545 (10)−0.00625 (7)−0.00122 (7)−0.00026 (7)
Ru20.01310 (9)0.01471 (9)0.01522 (9)−0.00497 (7)−0.00170 (7)0.00006 (7)
Ru30.01377 (9)0.01956 (10)0.01610 (10)−0.00761 (8)−0.00084 (7)−0.00084 (8)
As10.01427 (12)0.01494 (12)0.01388 (12)−0.00502 (9)−0.00136 (9)−0.00087 (9)
As20.01357 (12)0.01500 (12)0.01544 (12)−0.00520 (9)−0.00202 (9)−0.00102 (9)
P10.0148 (3)0.0191 (3)0.0140 (3)−0.0069 (2)−0.0010 (2)−0.0003 (2)
F10.0305 (9)0.0228 (9)0.0207 (8)−0.0047 (7)0.0020 (7)−0.0019 (7)
F20.0597 (14)0.0280 (10)0.0167 (9)−0.0118 (9)0.0032 (9)−0.0057 (7)
F30.0493 (12)0.0416 (11)0.0174 (9)−0.0225 (10)−0.0128 (8)0.0045 (8)
F40.0237 (9)0.0416 (11)0.0290 (10)−0.0067 (8)−0.0095 (8)0.0106 (8)
F50.0184 (8)0.0305 (9)0.0216 (8)−0.0033 (7)0.0003 (6)0.0010 (7)
O10.0257 (11)0.0286 (11)0.0233 (10)−0.0106 (9)−0.0079 (8)0.0014 (9)
O20.0416 (14)0.0218 (11)0.0388 (14)−0.0118 (10)0.0015 (11)−0.0069 (10)
O30.0284 (11)0.0310 (12)0.0222 (11)−0.0029 (9)−0.0054 (9)0.0007 (9)
O40.0379 (13)0.0264 (11)0.0218 (11)−0.0098 (10)−0.0083 (9)0.0030 (9)
O50.0406 (14)0.0228 (11)0.0251 (11)0.0018 (10)0.0015 (10)−0.0018 (9)
O60.0290 (11)0.0296 (11)0.0200 (10)−0.0128 (9)−0.0051 (8)0.0012 (8)
O70.0228 (11)0.0312 (12)0.0276 (11)−0.0112 (9)−0.0065 (9)0.0065 (9)
O80.0289 (13)0.0386 (14)0.0540 (17)−0.0081 (11)0.0100 (12)−0.0237 (13)
O90.0336 (13)0.0451 (14)0.0220 (11)−0.0191 (11)−0.0063 (9)0.0057 (10)
C10.0175 (12)0.0177 (12)0.0193 (12)−0.0049 (10)−0.0032 (10)−0.0037 (10)
C20.0196 (13)0.0227 (13)0.0186 (12)−0.0077 (10)−0.0007 (10)−0.0062 (10)
C30.0178 (13)0.0263 (14)0.0277 (15)−0.0050 (11)−0.0011 (11)−0.0113 (12)
C40.0218 (14)0.0222 (14)0.0323 (16)0.0001 (11)−0.0083 (12)−0.0083 (12)
C50.0284 (15)0.0204 (14)0.0304 (16)−0.0036 (12)−0.0077 (12)0.0010 (12)
C60.0211 (13)0.0208 (13)0.0224 (13)−0.0051 (11)−0.0035 (10)−0.0001 (11)
C70.0176 (12)0.0178 (12)0.0138 (11)−0.0028 (10)−0.0014 (9)−0.0010 (9)
C80.0288 (15)0.0218 (13)0.0199 (13)−0.0094 (11)−0.0014 (11)−0.0015 (11)
C90.0380 (18)0.0224 (14)0.0232 (15)−0.0074 (13)0.0009 (13)0.0027 (11)
C100.0335 (17)0.0284 (15)0.0158 (13)0.0016 (13)−0.0024 (11)0.0015 (11)
C110.0290 (15)0.0291 (15)0.0192 (13)−0.0032 (12)−0.0050 (11)−0.0057 (11)
C120.0232 (13)0.0204 (13)0.0196 (13)−0.0049 (11)−0.0032 (10)−0.0023 (10)
C130.0148 (11)0.0172 (12)0.0171 (12)−0.0043 (9)−0.0025 (9)−0.0026 (9)
C140.0203 (13)0.0178 (12)0.0158 (12)−0.0074 (10)−0.0022 (10)−0.0010 (9)
C150.0191 (13)0.0246 (14)0.0212 (13)−0.0077 (11)−0.0041 (10)−0.0009 (11)
C160.0277 (15)0.0254 (14)0.0253 (15)−0.0119 (12)−0.0086 (12)0.0075 (12)
C170.0324 (16)0.0299 (16)0.0278 (15)−0.0185 (13)−0.0071 (13)0.0089 (12)
C180.0234 (14)0.0317 (16)0.0310 (16)−0.0161 (13)−0.0037 (12)0.0039 (13)
C190.0196 (13)0.0216 (13)0.0277 (14)−0.0096 (11)−0.0042 (11)0.0001 (11)
C200.0185 (12)0.0190 (12)0.0183 (12)−0.0067 (10)−0.0025 (10)−0.0032 (10)
C210.0228 (15)0.0383 (18)0.0352 (18)0.0006 (13)−0.0047 (13)−0.0181 (15)
C220.0331 (18)0.050 (2)0.040 (2)−0.0014 (16)−0.0035 (15)−0.0302 (18)
C230.0327 (17)0.0384 (18)0.0231 (15)−0.0135 (14)−0.0041 (12)−0.0118 (13)
C240.0234 (14)0.0300 (15)0.0269 (15)−0.0082 (12)−0.0078 (12)−0.0053 (12)
C250.0196 (13)0.0240 (14)0.0235 (14)−0.0046 (11)−0.0038 (10)−0.0066 (11)
C260.0182 (12)0.0239 (13)0.0146 (11)−0.0116 (10)−0.0012 (9)−0.0003 (10)
C270.0245 (14)0.0209 (13)0.0181 (12)−0.0112 (11)−0.0005 (10)−0.0006 (10)
C280.0360 (16)0.0250 (14)0.0163 (13)−0.0166 (13)0.0000 (11)−0.0021 (11)
C290.0337 (16)0.0307 (15)0.0195 (13)−0.0208 (13)−0.0078 (12)0.0029 (11)
C300.0183 (13)0.0292 (15)0.0244 (14)−0.0122 (11)−0.0065 (11)0.0071 (11)
C310.0172 (12)0.0258 (14)0.0179 (12)−0.0105 (11)0.0000 (10)0.0010 (10)
C320.0205 (13)0.0201 (12)0.0158 (12)−0.0078 (10)0.0005 (10)−0.0003 (10)
C330.0249 (14)0.0248 (14)0.0222 (14)−0.0082 (11)−0.0046 (11)0.0016 (11)
C340.0318 (16)0.0291 (16)0.0267 (16)−0.0065 (13)−0.0073 (13)0.0093 (13)
C350.0404 (19)0.0198 (14)0.0276 (16)−0.0057 (13)−0.0023 (13)0.0043 (12)
C360.0374 (17)0.0229 (14)0.0217 (14)−0.0123 (13)0.0018 (12)−0.0033 (11)
C370.0258 (14)0.0239 (14)0.0193 (13)−0.0093 (11)−0.0010 (11)−0.0044 (11)
C380.0167 (12)0.0208 (12)0.0160 (12)−0.0070 (10)0.0002 (9)0.0008 (10)
C390.0183 (12)0.0211 (13)0.0195 (13)−0.0070 (10)−0.0025 (10)0.0012 (10)
C400.0154 (12)0.0251 (14)0.0235 (14)−0.0087 (10)−0.0016 (10)0.0032 (11)
C410.0199 (13)0.0250 (14)0.0249 (14)−0.0071 (11)0.0038 (11)0.0013 (11)
C420.0262 (14)0.0265 (14)0.0167 (13)−0.0086 (12)0.0025 (11)−0.0021 (11)
C430.0205 (13)0.0239 (13)0.0191 (13)−0.0095 (11)−0.0015 (10)−0.0012 (10)
C440.0191 (12)0.0180 (12)0.0223 (13)−0.0084 (10)−0.0012 (10)−0.0005 (10)
C450.0225 (13)0.0242 (14)0.0217 (13)−0.0096 (11)−0.0007 (11)0.0002 (11)
C460.0180 (12)0.0195 (12)0.0214 (13)−0.0045 (10)0.0010 (10)−0.0014 (10)
C470.0208 (13)0.0176 (12)0.0227 (13)−0.0056 (10)−0.0018 (10)0.0002 (10)
C480.0219 (13)0.0213 (13)0.0159 (12)−0.0060 (11)−0.0003 (10)0.0010 (10)
C490.0168 (12)0.0210 (13)0.0212 (13)−0.0086 (10)−0.0016 (10)−0.0020 (10)
C500.0173 (12)0.0238 (14)0.0252 (14)−0.0100 (11)−0.0010 (10)0.0000 (11)
C510.0224 (14)0.0276 (15)0.0280 (15)−0.0112 (12)0.0013 (11)−0.0048 (12)
C520.0202 (13)0.0279 (14)0.0225 (14)−0.0120 (11)−0.0011 (10)−0.0027 (11)
Cl1A0.209 (5)0.0446 (14)0.092 (2)0.009 (2)−0.112 (3)−0.0128 (14)
Cl2A0.068 (2)0.097 (3)0.120 (3)−0.049 (2)0.006 (2)−0.047 (2)
Cl3A0.060 (2)0.275 (7)0.0578 (19)−0.041 (3)0.0028 (15)−0.055 (3)
C53A0.116 (11)0.045 (5)0.055 (6)−0.042 (7)0.034 (7)−0.015 (5)
Ru1—C451.897 (3)C13—H13A0.9700
Ru1—C441.922 (3)C13—H13B0.9700
Ru1—C461.931 (3)C14—C151.388 (4)
Ru1—As12.4210 (3)C14—C191.395 (4)
Ru1—Ru22.8653 (3)C15—C161.392 (4)
Ru1—Ru32.8730 (3)C15—H15A0.9300
Ru2—C481.894 (3)C16—C171.384 (5)
Ru2—C471.927 (3)C16—H16A0.9300
Ru2—C491.940 (3)C17—C181.391 (5)
Ru2—As22.4243 (3)C17—H17A0.9300
Ru2—Ru32.8418 (3)C18—C191.389 (4)
Ru3—C511.887 (3)C18—H18A0.9300
Ru3—C501.931 (3)C19—H19A0.9300
Ru3—C521.946 (3)C20—C211.389 (4)
Ru3—P12.3367 (7)C20—C251.392 (4)
As1—C71.938 (3)C21—C221.390 (5)
As1—C11.951 (3)C21—H21A0.9300
As1—C131.964 (3)C22—C231.385 (5)
As2—C141.937 (3)C22—H22A0.9300
As2—C201.939 (3)C23—C241.369 (5)
As2—C131.958 (3)C23—H23A0.9300
P1—C321.835 (3)C24—C251.396 (4)
P1—C381.839 (3)C24—H24A0.9300
P1—C261.844 (3)C25—H25A0.9300
F1—C271.339 (3)C26—C311.393 (4)
F2—C281.337 (4)C26—C271.395 (4)
F3—C291.333 (3)C27—C281.390 (4)
F4—C301.337 (4)C28—C291.377 (5)
F5—C311.346 (3)C29—C301.384 (5)
O1—C441.148 (4)C30—C311.382 (4)
O2—C451.142 (4)C32—C331.390 (4)
O3—C461.150 (4)C32—C371.405 (4)
O4—C471.139 (4)C33—C341.390 (4)
O5—C481.146 (4)C33—H33A0.9300
O6—C491.143 (4)C34—C351.378 (5)
O7—C501.142 (4)C34—H34A0.9300
O8—C511.140 (4)C35—C361.399 (5)
O9—C521.136 (4)C35—H35A0.9300
C1—C21.392 (4)C36—C371.385 (4)
C1—C61.398 (4)C36—H36A0.9300
C2—C31.399 (4)C37—H37A0.9300
C2—H2A0.9300C38—C431.394 (4)
C3—C41.386 (5)C38—C391.396 (4)
C3—H3A0.9300C39—C401.391 (4)
C4—C51.392 (5)C39—H39A0.9300
C4—H4A0.9300C40—C411.386 (4)
C5—C61.391 (4)C40—H40A0.9300
C5—H5A0.9300C41—C421.387 (4)
C6—H6A0.9300C41—H41A0.9300
C7—C121.392 (4)C42—C431.396 (4)
C7—C81.398 (4)C42—H42A0.9300
C8—C91.395 (4)C43—H43A0.9300
C8—H8A0.9300Cl1A—C53A1.725 (11)
C9—C101.388 (5)Cl2A—C53A1.723 (14)
C9—H9A0.9300Cl3A—C53A1.731 (10)
C10—C111.388 (5)C53A—H53A0.9800
C10—H10A0.9300Cl1B—C53B1.794 (14)
C11—C121.394 (4)Cl2B—C53B1.731 (16)
C11—H11A0.9300Cl3B—C53B1.644 (15)
C12—H12A0.9300C53B—H53B0.9800
C45—Ru1—C4487.69 (13)C14—C15—C16120.2 (3)
C45—Ru1—C4692.37 (13)C14—C15—H15A119.9
C44—Ru1—C46172.77 (12)C16—C15—H15A119.9
C45—Ru1—As199.18 (9)C17—C16—C15119.8 (3)
C44—Ru1—As194.51 (8)C17—C16—H16A120.1
C46—Ru1—As192.62 (8)C15—C16—H16A120.1
C45—Ru1—Ru2170.93 (9)C16—C17—C18120.3 (3)
C44—Ru1—Ru293.53 (9)C16—C17—H17A119.9
C46—Ru1—Ru285.29 (9)C18—C17—H17A119.9
As1—Ru1—Ru289.691 (10)C19—C18—C17120.0 (3)
C45—Ru1—Ru3111.96 (9)C19—C18—H18A120.0
C44—Ru1—Ru383.03 (9)C17—C18—H18A120.0
C46—Ru1—Ru390.25 (8)C18—C19—C14119.8 (3)
As1—Ru1—Ru3148.582 (12)C18—C19—H19A120.1
Ru2—Ru1—Ru359.370 (7)C14—C19—H19A120.1
C48—Ru2—C4793.06 (12)C21—C20—C25119.2 (3)
C48—Ru2—C4992.85 (12)C21—C20—As2117.6 (2)
C47—Ru2—C49174.09 (12)C25—C20—As2123.1 (2)
C48—Ru2—As2102.74 (9)C20—C21—C22120.2 (3)
C47—Ru2—As288.81 (9)C20—C21—H21A119.9
C49—Ru2—As289.79 (8)C22—C21—H21A119.9
C48—Ru2—Ru3101.06 (9)C23—C22—C21120.1 (3)
C47—Ru2—Ru380.96 (9)C23—C22—H22A119.9
C49—Ru2—Ru398.00 (8)C21—C22—H22A119.9
As2—Ru2—Ru3154.528 (12)C24—C23—C22120.0 (3)
C48—Ru2—Ru1159.52 (9)C24—C23—H23A120.0
C47—Ru2—Ru192.48 (9)C22—C23—H23A120.0
C49—Ru2—Ru182.00 (9)C23—C24—C25120.4 (3)
As2—Ru2—Ru197.077 (10)C23—C24—H24A119.8
Ru3—Ru2—Ru160.450 (7)C25—C24—H24A119.8
C51—Ru3—C5087.52 (14)C20—C25—C24120.0 (3)
C51—Ru3—C5291.29 (14)C20—C25—H25A120.0
C50—Ru3—C52173.07 (12)C24—C25—H25A120.0
C51—Ru3—P1100.25 (9)C31—C26—C27115.3 (3)
C50—Ru3—P193.42 (9)C31—C26—P1120.1 (2)
C52—Ru3—P193.52 (9)C27—C26—P1123.6 (2)
C51—Ru3—Ru297.64 (9)F1—C27—C28116.5 (3)
C50—Ru3—Ru276.95 (8)F1—C27—C26121.0 (3)
C52—Ru3—Ru296.46 (8)C28—C27—C26122.5 (3)
P1—Ru3—Ru2159.28 (2)F2—C28—C29119.7 (3)
C51—Ru3—Ru1157.38 (9)F2—C28—C27120.3 (3)
C50—Ru3—Ru191.23 (9)C29—C28—C27120.0 (3)
C52—Ru3—Ru187.24 (9)F3—C29—C28120.7 (3)
P1—Ru3—Ru1102.374 (19)F3—C29—C30119.8 (3)
Ru2—Ru3—Ru160.180 (7)C28—C29—C30119.4 (3)
C7—As1—C1101.81 (11)F4—C30—C31120.7 (3)
C7—As1—C13104.16 (11)F4—C30—C29120.0 (3)
C1—As1—C1398.63 (11)C31—C30—C29119.3 (3)
C7—As1—Ru1117.89 (8)F5—C31—C30116.5 (3)
C1—As1—Ru1117.30 (8)F5—C31—C26119.9 (2)
C13—As1—Ru1114.39 (8)C30—C31—C26123.4 (3)
C14—As2—C2099.53 (12)C33—C32—C37118.8 (3)
C14—As2—C13103.74 (12)C33—C32—P1119.9 (2)
C20—As2—C13102.41 (11)C37—C32—P1120.9 (2)
C14—As2—Ru2118.35 (8)C34—C33—C32120.6 (3)
C20—As2—Ru2117.46 (8)C34—C33—H33A119.7
C13—As2—Ru2113.05 (8)C32—C33—H33A119.7
C32—P1—C3897.60 (13)C35—C34—C33120.4 (3)
C32—P1—C26104.34 (13)C35—C34—H34A119.8
C38—P1—C26103.31 (13)C33—C34—H34A119.8
C32—P1—Ru3122.83 (10)C34—C35—C36119.8 (3)
C38—P1—Ru3117.20 (10)C34—C35—H35A120.1
C26—P1—Ru3109.21 (9)C36—C35—H35A120.1
C2—C1—C6119.5 (3)C37—C36—C35120.0 (3)
C2—C1—As1121.4 (2)C37—C36—H36A120.0
C6—C1—As1119.0 (2)C35—C36—H36A120.0
C1—C2—C3120.0 (3)C36—C37—C32120.4 (3)
C1—C2—H2A120.0C36—C37—H37A119.8
C3—C2—H2A120.0C32—C37—H37A119.8
C4—C3—C2120.4 (3)C43—C38—C39118.8 (3)
C4—C3—H3A119.8C43—C38—P1117.6 (2)
C2—C3—H3A119.8C39—C38—P1123.4 (2)
C3—C4—C5119.7 (3)C40—C39—C38120.4 (3)
C3—C4—H4A120.2C40—C39—H39A119.8
C5—C4—H4A120.2C38—C39—H39A119.8
C6—C5—C4120.3 (3)C41—C40—C39120.5 (3)
C6—C5—H5A119.8C41—C40—H40A119.8
C4—C5—H5A119.8C39—C40—H40A119.8
C5—C6—C1120.2 (3)C40—C41—C42119.8 (3)
C5—C6—H6A119.9C40—C41—H41A120.1
C1—C6—H6A119.9C42—C41—H41A120.1
C12—C7—C8120.0 (3)C41—C42—C43119.8 (3)
C12—C7—As1117.6 (2)C41—C42—H42A120.1
C8—C7—As1122.4 (2)C43—C42—H42A120.1
C9—C8—C7119.5 (3)C38—C43—C42120.8 (3)
C9—C8—H8A120.3C38—C43—H43A119.6
C7—C8—H8A120.3C42—C43—H43A119.6
C10—C9—C8120.5 (3)O1—C44—Ru1173.4 (3)
C10—C9—H9A119.8O2—C45—Ru1176.8 (3)
C8—C9—H9A119.8O3—C46—Ru1174.1 (3)
C11—C10—C9119.9 (3)O4—C47—Ru2172.9 (3)
C11—C10—H10A120.1O5—C48—Ru2178.1 (3)
C9—C10—H10A120.1O6—C49—Ru2173.8 (3)
C10—C11—C12120.2 (3)O7—C50—Ru3171.5 (3)
C10—C11—H11A119.9O8—C51—Ru3177.7 (3)
C12—C11—H11A119.9O9—C52—Ru3173.4 (3)
C7—C12—C11120.0 (3)Cl2A—C53A—Cl1A111.5 (6)
C7—C12—H12A120.0Cl2A—C53A—Cl3A112.4 (7)
C11—C12—H12A120.0Cl1A—C53A—Cl3A109.9 (7)
As2—C13—As1111.64 (13)Cl2A—C53A—H53A107.6
As2—C13—H13A109.3Cl1A—C53A—H53A107.6
As1—C13—H13A109.3Cl3A—C53A—H53A107.6
As2—C13—H13B109.3Cl3B—C53B—Cl2B116.4 (10)
As1—C13—H13B109.3Cl3B—C53B—Cl1B114.4 (9)
H13A—C13—H13B108.0Cl2B—C53B—Cl1B107.6 (9)
C15—C14—C19119.9 (3)Cl3B—C53B—H53B105.9
C15—C14—As2119.8 (2)Cl2B—C53B—H53B105.9
C19—C14—As2120.3 (2)Cl1B—C53B—H53B105.9
C44—Ru1—Ru2—C4852.3 (3)C13—As1—C1—C6100.1 (2)
C46—Ru1—Ru2—C48−120.5 (3)Ru1—As1—C1—C6−23.2 (3)
As1—Ru1—Ru2—C48146.8 (2)C6—C1—C2—C30.0 (4)
Ru3—Ru1—Ru2—C48−27.4 (2)As1—C1—C2—C3177.9 (2)
C44—Ru1—Ru2—C47157.91 (12)C1—C2—C3—C4−0.2 (4)
C46—Ru1—Ru2—C47−14.94 (12)C2—C3—C4—C5−0.1 (5)
As1—Ru1—Ru2—C47−107.60 (9)C3—C4—C5—C60.6 (5)
Ru3—Ru1—Ru2—C4778.15 (9)C4—C5—C6—C1−0.8 (5)
C44—Ru1—Ru2—C49−24.20 (12)C2—C1—C6—C50.5 (4)
C46—Ru1—Ru2—C49162.95 (12)As1—C1—C6—C5−177.5 (2)
As1—Ru1—Ru2—C4970.29 (8)C1—As1—C7—C1272.1 (2)
Ru3—Ru1—Ru2—C49−103.96 (8)C13—As1—C7—C12174.2 (2)
C44—Ru1—Ru2—As2−112.99 (8)Ru1—As1—C7—C12−57.8 (2)
C46—Ru1—Ru2—As274.16 (8)C1—As1—C7—C8−110.1 (2)
As1—Ru1—Ru2—As2−18.492 (12)C13—As1—C7—C8−7.9 (3)
Ru3—Ru1—Ru2—As2167.256 (12)Ru1—As1—C7—C8120.0 (2)
C44—Ru1—Ru2—Ru379.75 (8)C12—C7—C8—C9−0.5 (5)
C46—Ru1—Ru2—Ru3−93.09 (8)As1—C7—C8—C9−178.2 (2)
As1—Ru1—Ru2—Ru3174.251 (11)C7—C8—C9—C10−0.5 (5)
C48—Ru2—Ru3—C51−14.21 (13)C8—C9—C10—C110.6 (5)
C47—Ru2—Ru3—C5177.17 (14)C9—C10—C11—C120.2 (5)
C49—Ru2—Ru3—C51−108.71 (13)C8—C7—C12—C111.3 (4)
As2—Ru2—Ru3—C51144.65 (11)As1—C7—C12—C11179.2 (2)
Ru1—Ru2—Ru3—C51175.25 (10)C10—C11—C12—C7−1.2 (5)
C48—Ru2—Ru3—C5071.44 (13)C14—As2—C13—As1−106.55 (14)
C47—Ru2—Ru3—C50162.82 (13)C20—As2—C13—As1150.25 (13)
C49—Ru2—Ru3—C50−23.07 (13)Ru2—As2—C13—As122.89 (15)
As2—Ru2—Ru3—C50−129.70 (10)C7—As1—C13—As288.09 (14)
Ru1—Ru2—Ru3—C50−99.10 (9)C1—As1—C13—As2−167.33 (13)
C48—Ru2—Ru3—C52−106.39 (13)Ru1—As1—C13—As2−42.01 (15)
C47—Ru2—Ru3—C52−15.01 (13)C20—As2—C14—C15−115.7 (2)
C49—Ru2—Ru3—C52159.11 (13)C13—As2—C14—C15138.9 (2)
As2—Ru2—Ru3—C5252.47 (10)Ru2—As2—C14—C1512.8 (3)
Ru1—Ru2—Ru3—C5283.07 (9)C20—As2—C14—C1963.6 (3)
C48—Ru2—Ru3—P1135.34 (10)C13—As2—C14—C19−41.8 (3)
C47—Ru2—Ru3—P1−133.28 (10)Ru2—As2—C14—C19−167.9 (2)
C49—Ru2—Ru3—P140.83 (10)C19—C14—C15—C162.0 (4)
As2—Ru2—Ru3—P1−65.80 (7)As2—C14—C15—C16−178.6 (2)
Ru1—Ru2—Ru3—P1−35.20 (6)C14—C15—C16—C17−0.1 (5)
C48—Ru2—Ru3—Ru1170.54 (9)C15—C16—C17—C18−1.0 (5)
C47—Ru2—Ru3—Ru1−98.08 (9)C16—C17—C18—C190.1 (5)
C49—Ru2—Ru3—Ru176.04 (9)C17—C18—C19—C141.9 (5)
As2—Ru2—Ru3—Ru1−30.60 (3)C15—C14—C19—C18−2.9 (5)
C45—Ru1—Ru3—C51164.7 (3)As2—C14—C19—C18177.7 (2)
C44—Ru1—Ru3—C51−110.6 (3)C14—As2—C20—C2184.5 (3)
C46—Ru1—Ru3—C5172.0 (3)C13—As2—C20—C21−169.1 (3)
As1—Ru1—Ru3—C51−23.4 (3)Ru2—As2—C20—C21−44.6 (3)
Ru2—Ru1—Ru3—C51−12.3 (3)C14—As2—C20—C25−93.0 (3)
C45—Ru1—Ru3—C50−108.79 (13)C13—As2—C20—C2513.4 (3)
C44—Ru1—Ru3—C50−24.13 (12)Ru2—As2—C20—C25137.9 (2)
C46—Ru1—Ru3—C50158.55 (12)C25—C20—C21—C220.5 (5)
As1—Ru1—Ru3—C5063.10 (9)As2—C20—C21—C22−177.1 (3)
Ru2—Ru1—Ru3—C5074.18 (9)C20—C21—C22—C230.4 (6)
C45—Ru1—Ru3—C5277.98 (13)C21—C22—C23—C24−0.7 (6)
C44—Ru1—Ru3—C52162.64 (12)C22—C23—C24—C250.1 (5)
C46—Ru1—Ru3—C52−14.68 (12)C21—C20—C25—C24−1.1 (5)
As1—Ru1—Ru3—C52−110.13 (9)As2—C20—C25—C24176.4 (2)
Ru2—Ru1—Ru3—C52−99.05 (9)C23—C24—C25—C200.8 (5)
C45—Ru1—Ru3—P1−15.02 (10)C32—P1—C26—C31153.1 (2)
C44—Ru1—Ru3—P169.64 (8)C38—P1—C26—C3151.5 (2)
C46—Ru1—Ru3—P1−107.68 (9)Ru3—P1—C26—C31−73.9 (2)
As1—Ru1—Ru3—P1156.87 (3)C32—P1—C26—C27−38.5 (3)
Ru2—Ru1—Ru3—P1167.95 (2)C38—P1—C26—C27−140.1 (2)
C45—Ru1—Ru3—Ru2177.03 (10)Ru3—P1—C26—C2794.4 (2)
C44—Ru1—Ru3—Ru2−98.31 (8)C31—C26—C27—F1175.4 (2)
C46—Ru1—Ru3—Ru284.37 (9)P1—C26—C27—F16.6 (4)
As1—Ru1—Ru3—Ru2−11.08 (2)C31—C26—C27—C28−1.4 (4)
C45—Ru1—As1—C794.63 (13)P1—C26—C27—C28−170.2 (2)
C44—Ru1—As1—C76.24 (13)F1—C27—C28—F21.4 (4)
C46—Ru1—As1—C7−172.54 (13)C26—C27—C28—F2178.4 (3)
Ru2—Ru1—As1—C7−87.27 (9)F1—C27—C28—C29−177.4 (3)
Ru3—Ru1—As1—C7−77.76 (10)C26—C27—C28—C29−0.4 (4)
C45—Ru1—As1—C1−27.62 (13)F2—C28—C29—F31.0 (4)
C44—Ru1—As1—C1−116.01 (13)C27—C28—C29—F3179.9 (3)
C46—Ru1—As1—C165.21 (13)F2—C28—C29—C30−176.6 (3)
Ru2—Ru1—As1—C1150.47 (9)C27—C28—C29—C302.3 (4)
Ru3—Ru1—As1—C1159.99 (9)F3—C29—C30—F4−0.5 (4)
C45—Ru1—As1—C13−142.42 (13)C28—C29—C30—F4177.1 (3)
C44—Ru1—As1—C13129.19 (12)F3—C29—C30—C31−179.8 (3)
C46—Ru1—As1—C13−49.59 (12)C28—C29—C30—C31−2.1 (4)
Ru2—Ru1—As1—C1335.68 (9)F4—C30—C31—F5−2.5 (4)
Ru3—Ru1—As1—C1345.19 (9)C29—C30—C31—F5176.8 (3)
C48—Ru2—As2—C14−52.19 (13)F4—C30—C31—C26−179.0 (3)
C47—Ru2—As2—C14−145.06 (13)C29—C30—C31—C260.2 (4)
C49—Ru2—As2—C1440.68 (13)C27—C26—C31—F5−174.9 (2)
Ru3—Ru2—As2—C14149.09 (10)P1—C26—C31—F5−5.7 (4)
Ru1—Ru2—As2—C14122.59 (9)C27—C26—C31—C301.5 (4)
C48—Ru2—As2—C2067.30 (13)P1—C26—C31—C30170.8 (2)
C47—Ru2—As2—C20−25.57 (13)C38—P1—C32—C33−114.9 (2)
C49—Ru2—As2—C20160.18 (13)C26—P1—C32—C33139.2 (2)
Ru3—Ru2—As2—C20−91.42 (10)Ru3—P1—C32—C3314.5 (3)
Ru1—Ru2—As2—C20−117.92 (9)C38—P1—C32—C3758.8 (3)
C48—Ru2—As2—C13−173.72 (12)C26—P1—C32—C37−47.1 (3)
C47—Ru2—As2—C1393.41 (12)Ru3—P1—C32—C37−171.80 (19)
C49—Ru2—As2—C13−80.85 (12)C37—C32—C33—C340.0 (4)
Ru3—Ru2—As2—C1327.56 (9)P1—C32—C33—C34173.9 (2)
Ru1—Ru2—As2—C131.06 (9)C32—C33—C34—C35−0.8 (5)
C51—Ru3—P1—C32−136.81 (15)C33—C34—C35—C360.9 (5)
C50—Ru3—P1—C32135.09 (14)C34—C35—C36—C37−0.2 (5)
C52—Ru3—P1—C32−44.86 (14)C35—C36—C37—C32−0.5 (5)
Ru2—Ru3—P1—C3273.88 (12)C33—C32—C37—C360.6 (4)
Ru1—Ru3—P1—C3243.08 (11)P1—C32—C37—C36−173.2 (2)
C51—Ru3—P1—C38−16.24 (14)C32—P1—C38—C4396.1 (2)
C50—Ru3—P1—C38−104.34 (14)C26—P1—C38—C43−157.1 (2)
C52—Ru3—P1—C3875.70 (14)Ru3—P1—C38—C43−37.0 (3)
Ru2—Ru3—P1—C38−165.55 (10)C32—P1—C38—C39−77.2 (3)
Ru1—Ru3—P1—C38163.65 (10)C26—P1—C38—C3929.6 (3)
C51—Ru3—P1—C26100.71 (14)Ru3—P1—C38—C39149.7 (2)
C50—Ru3—P1—C2612.61 (13)C43—C38—C39—C40−0.2 (4)
C52—Ru3—P1—C26−167.34 (13)P1—C38—C39—C40173.0 (2)
Ru2—Ru3—P1—C26−48.60 (12)C38—C39—C40—C410.5 (4)
Ru1—Ru3—P1—C26−79.40 (10)C39—C40—C41—C42−0.9 (5)
C7—As1—C1—C228.7 (3)C40—C41—C42—C431.0 (5)
C13—As1—C1—C2−77.9 (2)C39—C38—C43—C420.3 (4)
Ru1—As1—C1—C2158.9 (2)P1—C38—C43—C42−173.3 (2)
C7—As1—C1—C6−153.4 (2)C41—C42—C43—C38−0.7 (5)
Cg1 and Cg2 are the centroids of the C1–C6 and C32–C37 benzene rings, respectively.
D—H···AD—HH···AD···AD—H···A
C10—H10A···O5i0.932.583.469 (4)160
C12—H12A···F2ii0.932.483.274 (3)143
C22—H22A···O4iii0.932.593.451 (5)154
C34—H34A···O4iv0.932.493.201 (4)134
C39—H39A···Cg1v0.932.933.749 (3)148
C41—H41A···Cg2vi0.932.733.607 (3)157
Table 1

Hydrogen-bond geometry (Å, °)

Cg1 and Cg2 are the centroids of the C1–C6 and C32–C37 benzene rings, respectively.

D—H⋯AD—HH⋯ADAD—H⋯A
C10—H10A⋯O5i0.932.583.469 (4)160
C12—H12A⋯F2ii0.932.483.274 (3)143
C22—H22A⋯O4iii0.932.593.451 (5)154
C34—H34A⋯O4iv0.932.493.201 (4)134
C39—H39ACg1v0.932.933.749 (3)148
C41—H41ACg2vi0.932.733.607 (3)157

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .

  3 in total

1.  A short history of SHELX.

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

2.  [μ-Bis(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-[tris-(4-fluoro-phen-yl)phosphine-3κP]-triangulo-triruthenium(0).

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-11-21

3.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  3 in total

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