Literature DB >> 21580490

catena-Poly[[[bis-(2,2'-bipyridine)manganese(II)]-μ(4)-3,3'-sulfanediyldipropionato] bis-(perchlorate)].

Li Yong1.   

Abstract

The title compound, [Mn(2)(C(6)H(8)O(4)S)(C(10)H(8)N(2))(4)](ClO(4))(2), which was crystallized from an aqueous solution, features two Mn(II) atoms in the asymmetric unit, each being coordinated by four N-atom donors from 2,2'-bipyridine ligands and two O atoms of two different 3,3'-sulfanediyldipropionate (L) ligands, with the O atoms in cis positions. The two carboxyl-ate groups of each L ligand, which adopt a syn-anti coordination mode, combine with four Mn(II) atoms, yielding one-dimensional chains extending along [010].

Entities:  

Year:  2010        PMID: 21580490      PMCID: PMC2983876          DOI: 10.1107/S1600536810008123

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


Related literature

For the structures and potential applications of metal-organic coordination polymers, see: Gardner et al. (1995 ▶); Seo et al. (2000 ▶). Many ligands, including rigid carboxyl­ate arms, have been used in the design of metal-organic materials with desired topologies, see: Cao et al. (2002 ▶); Xu et al. (2005 ▶). Relatively fewer complexes have been reported derived from flexible carboxyl­ate arms, see: Cao et al. (2004 ▶); Yong et al. (2004 ▶). For the corresponding zinc(II) and cadmium(II) complexes, see: Yang et al. (2008 ▶).

Experimental

Crystal data

[Mn2(C6H8O4S)(C10H8N2)4](ClO4)2 M = 1109.70 Triclinic, a = 12.031 (2) Å b = 13.550 (2) Å c = 15.653 (3) Å α = 102.611 (2)° β = 93.213 (3)° γ = 93.556 (3)° V = 2479.2 (7) Å3 Z = 2 Mo Kα radiation μ = 0.73 mm−1 T = 294 K 0.22 × 0.16 × 0.10 mm

Data collection

Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.841, T max = 0.988 12678 measured reflections 8690 independent reflections 5935 reflections with I > 2σ(I) R int = 0.021

Refinement

R[F 2 > 2σ(F 2)] = 0.043 wR(F 2) = 0.116 S = 1.02 8690 reflections 640 parameters H-atom parameters constrained Δρmax = 0.53 e Å−3 Δρmin = −0.37 e Å−3 Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶) and local programs. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810008123/fi2094sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536810008123/fi2094Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Mn2(C6H8O4S)(C10H8N2)4](ClO4)2Z = 2
Mr = 1109.70F(000) = 1136
Triclinic, P1Dx = 1.487 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 12.031 (2) ÅCell parameters from 4396 reflections
b = 13.550 (2) Åθ = 2.5–25.9°
c = 15.653 (3) ŵ = 0.73 mm1
α = 102.611 (2)°T = 294 K
β = 93.213 (3)°Block, yellow
γ = 93.556 (3)°0.22 × 0.16 × 0.10 mm
V = 2479.2 (7) Å3
Bruker SMART CCD area-detector diffractometer8690 independent reflections
Radiation source: fine-focus sealed tube5935 reflections with I > 2σ(I)
graphiteRint = 0.021
phi and ω scansθmax = 25.0°, θmin = 1.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −8→14
Tmin = 0.841, Tmax = 0.988k = −16→14
12678 measured reflectionsl = −17→18
Refinement on F20 restraints
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.043w = 1/[σ2(Fo2) + (0.0476P)2 + 1.3954P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.116(Δ/σ)max = 0.001
S = 1.02Δρmax = 0.53 e Å3
8690 reflectionsΔρmin = −0.37 e Å3
640 parameters
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
xyzUiso*/Ueq
Mn10.00691 (4)0.18036 (4)0.04401 (3)0.04195 (14)
Mn20.44247 (4)0.13551 (4)0.60030 (3)0.04089 (14)
S10.01371 (9)0.00873 (11)0.36605 (7)0.0797 (4)
O1−0.09407 (19)0.05450 (17)0.06451 (15)0.0516 (6)
O2−0.0797 (2)−0.10541 (18)0.07046 (15)0.0576 (6)
O30.3690 (2)0.00206 (17)0.51458 (15)0.0538 (6)
O40.3952 (2)−0.08857 (19)0.38353 (16)0.0603 (7)
N1−0.1243 (2)0.2224 (2)−0.04545 (17)0.0447 (7)
N20.0733 (2)0.3260 (2)0.00598 (18)0.0482 (7)
N3−0.0269 (2)0.2710 (2)0.17757 (17)0.0470 (7)
N40.1538 (2)0.1728 (2)0.13582 (18)0.0494 (7)
N50.2905 (2)0.2255 (2)0.58200 (19)0.0537 (8)
N60.4855 (2)0.2419 (2)0.51181 (17)0.0474 (7)
N70.4777 (2)0.2644 (2)0.72353 (17)0.0462 (7)
N80.3891 (2)0.0761 (2)0.71663 (18)0.0495 (7)
C1−0.2205 (3)0.1664 (3)−0.0711 (2)0.0548 (9)
C2−0.2844 (3)0.1696 (3)−0.1456 (3)0.0624 (10)
C3−0.2485 (4)0.2349 (3)−0.1955 (3)0.0672 (11)
C4−0.1508 (3)0.2953 (3)−0.1695 (2)0.0579 (10)
C5−0.0893 (3)0.2875 (2)−0.0941 (2)0.0437 (8)
C60.0169 (3)0.3484 (2)−0.0628 (2)0.0455 (8)
C70.0578 (4)0.4254 (3)−0.1006 (3)0.0668 (11)
C80.1570 (4)0.4800 (3)−0.0660 (3)0.0820 (14)
C90.2121 (4)0.4584 (3)0.0051 (3)0.0768 (13)
C100.1686 (3)0.3801 (3)0.0388 (3)0.0626 (10)
C11−0.1235 (3)0.3113 (3)0.1952 (2)0.0567 (9)
C12−0.1491 (4)0.3540 (3)0.2788 (3)0.0703 (11)
C13−0.0740 (4)0.3528 (3)0.3471 (3)0.0794 (13)
C140.0255 (4)0.3107 (3)0.3300 (2)0.0700 (12)
C150.0481 (3)0.2711 (2)0.2442 (2)0.0485 (8)
C160.1523 (3)0.2232 (3)0.2196 (2)0.0502 (9)
C170.2448 (4)0.2287 (4)0.2772 (3)0.0803 (13)
C180.3369 (4)0.1801 (4)0.2501 (3)0.0860 (14)
C190.3375 (3)0.1271 (3)0.1658 (3)0.0691 (11)
C200.2449 (3)0.1260 (3)0.1106 (3)0.0602 (10)
C21−0.0823 (3)−0.0139 (3)0.1054 (2)0.0412 (8)
C22−0.0775 (3)0.0126 (3)0.2050 (2)0.0553 (9)
C230.0177 (3)−0.0257 (3)0.2481 (2)0.0691 (11)
C240.1392 (4)−0.0405 (4)0.4038 (3)0.0852 (14)
C250.2439 (4)0.0136 (3)0.3925 (3)0.0745 (12)
C260.3433 (3)−0.0280 (3)0.4341 (2)0.0498 (9)
C270.1953 (3)0.2153 (3)0.6200 (3)0.0751 (12)
C280.1122 (4)0.2822 (4)0.6202 (4)0.0940 (16)
C290.1298 (5)0.3605 (4)0.5792 (4)0.0967 (17)
C300.2265 (4)0.3717 (3)0.5399 (3)0.0782 (13)
C310.3061 (3)0.3027 (3)0.5413 (2)0.0525 (9)
C320.4114 (3)0.3080 (2)0.4981 (2)0.0490 (9)
C330.4348 (4)0.3754 (3)0.4449 (3)0.0692 (12)
C340.5352 (5)0.3734 (4)0.4064 (3)0.0834 (14)
C350.6093 (4)0.3076 (4)0.4220 (3)0.0805 (13)
C360.5824 (4)0.2432 (3)0.4752 (2)0.0620 (10)
C370.5167 (3)0.3587 (3)0.7230 (2)0.0566 (10)
C380.5160 (4)0.4381 (3)0.7933 (3)0.0721 (12)
C390.4740 (5)0.4204 (3)0.8676 (3)0.0883 (15)
C400.4348 (4)0.3239 (3)0.8707 (2)0.0753 (13)
C410.4382 (3)0.2461 (3)0.7976 (2)0.0489 (8)
C420.4041 (3)0.1390 (3)0.7961 (2)0.0469 (8)
C430.3942 (3)0.1036 (3)0.8722 (2)0.0603 (10)
C440.3718 (3)0.0017 (3)0.8659 (3)0.0687 (11)
C450.3576 (3)−0.0629 (3)0.7856 (3)0.0675 (11)
C460.3654 (3)−0.0226 (3)0.7124 (3)0.0628 (10)
Cl10.55665 (8)0.29282 (7)0.09891 (6)0.0576 (2)
Cl20.81938 (9)0.43090 (8)0.63234 (7)0.0635 (3)
O50.4477 (2)0.3230 (2)0.08365 (18)0.0736 (8)
O60.5608 (3)0.1882 (2)0.0577 (2)0.0859 (9)
O70.6353 (3)0.3516 (2)0.0625 (2)0.0992 (11)
O80.5816 (3)0.3050 (3)0.19051 (19)0.0975 (10)
O90.7915 (4)0.3273 (3)0.6220 (3)0.1298 (16)
O100.8648 (3)0.4539 (3)0.5569 (2)0.0994 (11)
O110.9012 (3)0.4606 (3)0.7031 (2)0.1141 (13)
O120.7260 (4)0.4848 (4)0.6470 (3)0.1559 (19)
H1−0.24550.1229−0.03660.066*
H2−0.35040.1286−0.16170.075*
H3−0.28970.2384−0.24670.081*
H4−0.12640.3410−0.20220.069*
H70.01890.4401−0.14870.080*
H80.18590.5313−0.09130.098*
H90.27770.49590.03030.092*
H100.20720.36410.08660.075*
H11−0.17570.31050.14890.068*
H12−0.21650.38320.28870.084*
H13−0.08990.38020.40460.095*
H140.07740.30880.37580.084*
H170.24430.26560.33470.096*
H180.39890.18320.28910.103*
H190.39890.09260.14620.083*
H200.24540.09080.05250.072*
H22A−0.07380.08580.22490.066*
H22B−0.1462−0.01460.22380.066*
H23A0.08700.00250.23120.083*
H23B0.0150−0.09890.22890.083*
H24A0.1354−0.03970.46570.102*
H24B0.1404−0.11070.37290.102*
H25A0.24170.08500.41920.089*
H25B0.25280.00720.33040.089*
H270.18410.16150.64740.090*
H280.04660.27380.64740.113*
H290.07550.40630.57810.116*
H300.23890.42530.51240.094*
H330.38350.42120.43530.083*
H340.55180.41730.37000.100*
H350.67770.30590.39690.097*
H360.63410.19840.48630.074*
H370.54560.37080.67200.068*
H380.54370.50290.79050.086*
H390.47170.47340.91640.106*
H400.40620.31110.92150.090*
H430.40270.14830.92690.072*
H440.3664−0.02330.91640.082*
H450.3430−0.13220.78030.081*
H460.3536−0.06620.65740.075*
U11U22U33U12U13U23
Mn10.0505 (3)0.0440 (3)0.0341 (3)0.0046 (2)−0.0015 (2)0.0154 (2)
Mn20.0471 (3)0.0407 (3)0.0359 (3)0.0090 (2)0.0018 (2)0.0095 (2)
S10.0524 (6)0.1455 (11)0.0467 (6)0.0309 (7)−0.0036 (5)0.0284 (6)
O10.0569 (15)0.0507 (14)0.0521 (14)−0.0007 (11)−0.0048 (12)0.0256 (11)
O20.0825 (18)0.0493 (15)0.0449 (14)0.0089 (13)0.0167 (13)0.0149 (11)
O30.0597 (16)0.0482 (14)0.0497 (15)0.0045 (12)−0.0011 (12)0.0039 (11)
O40.0553 (15)0.0653 (16)0.0523 (15)0.0215 (13)−0.0083 (13)−0.0054 (13)
N10.0469 (17)0.0489 (16)0.0429 (15)0.0033 (13)−0.0004 (13)0.0213 (13)
N20.0480 (17)0.0450 (16)0.0534 (17)−0.0030 (13)−0.0016 (14)0.0181 (13)
N30.0536 (18)0.0454 (16)0.0424 (16)0.0039 (14)0.0022 (14)0.0110 (13)
N40.0513 (18)0.0564 (18)0.0421 (16)0.0086 (14)−0.0009 (14)0.0143 (14)
N50.0507 (19)0.0496 (18)0.0605 (19)0.0115 (14)0.0005 (15)0.0104 (15)
N60.0583 (19)0.0474 (17)0.0388 (15)0.0097 (14)0.0016 (14)0.0132 (13)
N70.0552 (18)0.0423 (16)0.0392 (15)0.0055 (14)0.0002 (13)0.0056 (12)
N80.0599 (19)0.0438 (17)0.0477 (17)0.0105 (14)0.0107 (14)0.0133 (13)
C10.047 (2)0.062 (2)0.059 (2)−0.0033 (18)0.0004 (18)0.0237 (18)
C20.042 (2)0.071 (3)0.074 (3)0.0016 (19)−0.014 (2)0.021 (2)
C30.068 (3)0.080 (3)0.058 (2)0.018 (2)−0.013 (2)0.026 (2)
C40.065 (3)0.061 (2)0.055 (2)0.009 (2)−0.005 (2)0.0289 (19)
C50.050 (2)0.0434 (19)0.0409 (18)0.0112 (16)0.0050 (16)0.0137 (15)
C60.054 (2)0.0404 (19)0.0476 (19)0.0088 (16)0.0075 (17)0.0189 (15)
C70.072 (3)0.066 (3)0.074 (3)0.001 (2)0.004 (2)0.043 (2)
C80.081 (3)0.066 (3)0.111 (4)−0.010 (2)0.012 (3)0.049 (3)
C90.064 (3)0.060 (3)0.104 (4)−0.017 (2)−0.001 (3)0.021 (2)
C100.061 (3)0.058 (2)0.069 (3)−0.004 (2)−0.009 (2)0.020 (2)
C110.060 (2)0.057 (2)0.055 (2)0.0036 (19)0.0045 (19)0.0151 (18)
C120.073 (3)0.069 (3)0.067 (3)0.006 (2)0.022 (2)0.008 (2)
C130.094 (4)0.084 (3)0.051 (3)−0.002 (3)0.019 (3)−0.007 (2)
C140.083 (3)0.080 (3)0.039 (2)−0.005 (2)−0.004 (2)0.0007 (19)
C150.058 (2)0.0433 (19)0.0418 (19)−0.0076 (17)−0.0034 (17)0.0088 (15)
C160.054 (2)0.050 (2)0.045 (2)−0.0064 (17)−0.0103 (17)0.0141 (16)
C170.070 (3)0.099 (3)0.059 (3)0.003 (3)−0.024 (2)−0.003 (2)
C180.058 (3)0.108 (4)0.085 (3)0.002 (3)−0.029 (3)0.016 (3)
C190.043 (2)0.079 (3)0.088 (3)0.006 (2)0.002 (2)0.026 (2)
C200.057 (2)0.072 (3)0.056 (2)0.012 (2)0.004 (2)0.0209 (19)
C210.0364 (18)0.048 (2)0.0421 (18)0.0022 (15)−0.0001 (15)0.0174 (16)
C220.063 (2)0.059 (2)0.045 (2)0.0128 (19)−0.0052 (18)0.0156 (17)
C230.065 (3)0.094 (3)0.051 (2)0.028 (2)0.003 (2)0.018 (2)
C240.059 (3)0.118 (4)0.089 (3)0.002 (3)−0.010 (2)0.049 (3)
C250.069 (3)0.068 (3)0.083 (3)0.017 (2)−0.014 (2)0.012 (2)
C260.043 (2)0.045 (2)0.058 (2)0.0043 (16)−0.0125 (18)0.0069 (17)
C270.055 (3)0.078 (3)0.093 (3)0.013 (2)0.011 (2)0.019 (2)
C280.052 (3)0.110 (4)0.120 (4)0.026 (3)0.016 (3)0.016 (3)
C290.075 (4)0.084 (4)0.127 (5)0.042 (3)−0.011 (3)0.010 (3)
C300.079 (3)0.067 (3)0.086 (3)0.028 (2)−0.019 (3)0.012 (2)
C310.063 (2)0.041 (2)0.049 (2)0.0140 (17)−0.0169 (18)0.0025 (16)
C320.069 (2)0.0375 (18)0.0372 (18)0.0042 (17)−0.0123 (18)0.0048 (14)
C330.097 (3)0.054 (2)0.058 (2)0.002 (2)−0.022 (2)0.0227 (19)
C340.120 (4)0.071 (3)0.064 (3)−0.018 (3)0.006 (3)0.031 (2)
C350.096 (4)0.078 (3)0.074 (3)−0.002 (3)0.027 (3)0.028 (2)
C360.071 (3)0.062 (2)0.055 (2)0.007 (2)0.013 (2)0.0138 (19)
C370.073 (3)0.050 (2)0.045 (2)−0.0017 (19)−0.0005 (19)0.0091 (17)
C380.107 (4)0.047 (2)0.055 (2)−0.003 (2)−0.005 (2)0.0029 (19)
C390.140 (5)0.059 (3)0.055 (3)0.007 (3)0.001 (3)−0.009 (2)
C400.117 (4)0.069 (3)0.039 (2)0.016 (3)0.014 (2)0.0070 (19)
C410.055 (2)0.055 (2)0.0376 (19)0.0147 (17)0.0028 (16)0.0105 (16)
C420.046 (2)0.055 (2)0.0430 (19)0.0115 (16)0.0055 (16)0.0165 (16)
C430.064 (3)0.076 (3)0.048 (2)0.009 (2)0.0099 (19)0.0256 (19)
C440.066 (3)0.087 (3)0.068 (3)0.018 (2)0.015 (2)0.045 (3)
C450.071 (3)0.057 (2)0.086 (3)0.011 (2)0.022 (2)0.036 (2)
C460.079 (3)0.050 (2)0.062 (2)0.009 (2)0.015 (2)0.0160 (19)
Cl10.0618 (6)0.0534 (5)0.0590 (6)0.0018 (5)0.0008 (5)0.0174 (4)
Cl20.0642 (6)0.0714 (7)0.0664 (6)0.0117 (5)0.0027 (5)0.0385 (5)
O50.0632 (18)0.083 (2)0.0770 (19)0.0122 (15)−0.0012 (15)0.0215 (15)
O60.118 (3)0.0532 (17)0.087 (2)0.0144 (17)0.0171 (19)0.0122 (15)
O70.084 (2)0.085 (2)0.139 (3)−0.0133 (18)0.023 (2)0.050 (2)
O80.114 (3)0.117 (3)0.0557 (18)0.012 (2)−0.0214 (18)0.0119 (17)
O90.187 (4)0.077 (2)0.127 (3)−0.024 (2)−0.044 (3)0.050 (2)
O100.122 (3)0.123 (3)0.0678 (19)0.013 (2)0.0204 (19)0.0482 (19)
O110.132 (3)0.131 (3)0.086 (2)−0.034 (2)−0.036 (2)0.062 (2)
O120.118 (3)0.193 (5)0.207 (5)0.093 (3)0.073 (3)0.117 (4)
Mn1—O2i2.121 (2)C31—C321.475 (5)
Mn1—O12.124 (2)C32—C331.391 (5)
Mn1—N12.234 (3)C33—C341.378 (6)
Mn1—N42.236 (3)C34—C351.349 (6)
Mn1—N32.254 (3)C35—C361.369 (5)
Mn1—N22.293 (3)C37—C381.362 (5)
Mn2—O4ii2.110 (2)C38—C391.356 (6)
Mn2—O32.112 (2)C39—C401.373 (6)
Mn2—N82.255 (3)C40—C411.380 (5)
Mn2—N62.263 (3)C41—C421.479 (5)
Mn2—N52.298 (3)C42—C431.387 (5)
Mn2—N72.301 (3)C43—C441.370 (5)
S1—C231.807 (4)C44—C451.360 (6)
S1—C241.808 (4)C45—C461.378 (5)
O1—C211.246 (4)Cl1—O81.420 (3)
O2—C211.245 (4)Cl1—O51.420 (3)
O2—Mn1i2.121 (2)Cl1—O71.421 (3)
O3—C261.251 (4)Cl1—O61.428 (3)
O4—C261.235 (4)Cl2—O121.381 (4)
O4—Mn2ii2.110 (2)Cl2—O91.395 (3)
N1—C11.336 (4)Cl2—O111.411 (3)
N1—C51.348 (4)Cl2—O101.415 (3)
N2—C101.335 (4)C1—H10.9300
N2—C61.341 (4)C2—H20.9300
N3—C111.332 (4)C3—H30.9300
N3—C151.340 (4)C4—H40.9300
N4—C201.336 (4)C7—H70.9300
N4—C161.342 (4)C8—H80.9300
N5—C271.333 (5)C9—H90.9300
N5—C311.347 (4)C10—H100.9300
N6—C361.328 (5)C11—H110.9300
N6—C321.344 (4)C12—H120.9300
N7—C371.336 (4)C13—H130.9300
N7—C411.344 (4)C14—H140.9300
N8—C461.335 (4)C17—H170.9300
N8—C421.341 (4)C18—H180.9300
C1—C21.370 (5)C19—H190.9300
C2—C31.368 (5)C20—H200.9300
C3—C41.379 (5)C22—H22A0.9700
C4—C51.384 (4)C22—H22B0.9700
C5—C61.475 (5)C23—H23A0.9700
C6—C71.385 (5)C23—H23B0.9700
C7—C81.381 (6)C24—H24A0.9700
C8—C91.359 (6)C24—H24B0.9700
C9—C101.373 (5)C25—H25A0.9700
C11—C121.370 (5)C25—H25B0.9700
C12—C131.365 (6)C27—H270.9300
C13—C141.372 (6)C28—H280.9300
C14—C151.381 (5)C29—H290.9300
C15—C161.479 (5)C30—H300.9300
C16—C171.380 (5)C33—H330.9300
C17—C181.365 (6)C34—H340.9300
C18—C191.358 (6)C35—H350.9300
C19—C201.368 (5)C36—H360.9300
C21—C221.519 (4)C37—H370.9300
C22—C231.475 (5)C38—H380.9300
C24—C251.456 (6)C39—H390.9300
C25—C261.526 (5)C40—H400.9300
C27—C281.390 (6)C43—H430.9300
C28—C291.368 (7)C44—H440.9300
C29—C301.361 (7)C45—H450.9300
C30—C311.382 (5)C46—H460.9300
O2i—Mn1—O197.97 (9)N7—C37—C38123.3 (4)
O2i—Mn1—N187.09 (10)C39—C38—C37118.3 (4)
O1—Mn1—N193.10 (9)C38—C39—C40119.9 (4)
O2i—Mn1—N495.09 (10)C39—C40—C41119.4 (4)
O1—Mn1—N498.77 (9)N7—C41—C40120.6 (3)
N1—Mn1—N4167.49 (10)N7—C41—C42116.0 (3)
O2i—Mn1—N3166.07 (11)C40—C41—C42123.4 (3)
O1—Mn1—N390.46 (10)N8—C42—C43121.4 (3)
N1—Mn1—N3103.58 (10)N8—C42—C41116.2 (3)
N4—Mn1—N372.57 (10)C43—C42—C41122.3 (3)
O2i—Mn1—N284.63 (10)C44—C43—C42119.0 (4)
O1—Mn1—N2165.16 (9)C45—C44—C43120.0 (4)
N1—Mn1—N272.37 (10)C44—C45—C46118.1 (4)
N4—Mn1—N295.54 (10)N8—C46—C45123.2 (4)
N3—Mn1—N290.06 (10)O8—Cl1—O5109.5 (2)
O4ii—Mn2—O398.49 (9)O8—Cl1—O7110.9 (2)
O4ii—Mn2—N891.21 (10)O5—Cl1—O7109.49 (19)
O3—Mn2—N890.14 (10)O8—Cl1—O6108.53 (19)
O4ii—Mn2—N696.47 (11)O5—Cl1—O6109.31 (19)
O3—Mn2—N6104.81 (10)O7—Cl1—O6109.0 (2)
N8—Mn2—N6161.91 (10)O12—Cl2—O9110.6 (3)
O4ii—Mn2—N5165.22 (11)O12—Cl2—O11111.5 (3)
O3—Mn2—N592.96 (10)O9—Cl2—O11107.7 (2)
N8—Mn2—N598.12 (11)O12—Cl2—O10106.9 (2)
N6—Mn2—N571.43 (11)O9—Cl2—O10112.1 (2)
O4ii—Mn2—N790.41 (10)O11—Cl2—O10108.0 (2)
O3—Mn2—N7160.35 (10)N1—C1—H1118.2
N8—Mn2—N772.09 (10)C2—C1—H1118.2
N6—Mn2—N791.45 (10)C3—C2—H2120.9
N5—Mn2—N781.66 (10)C1—C2—H2120.9
C23—S1—C24102.7 (2)C2—C3—H3120.2
C21—O1—Mn1135.9 (2)C4—C3—H3120.2
C21—O2—Mn1i131.8 (2)C3—C4—H4120.3
C26—O3—Mn2137.2 (2)C5—C4—H4120.3
C26—O4—Mn2ii130.1 (2)C8—C7—H7120.3
C1—N1—C5118.4 (3)C6—C7—H7120.3
C1—N1—Mn1122.8 (2)C9—C8—H8120.2
C5—N1—Mn1115.7 (2)C7—C8—H8120.2
C10—N2—C6119.2 (3)C8—C9—H9120.8
C10—N2—Mn1125.3 (2)C10—C9—H9120.8
C6—N2—Mn1114.9 (2)N2—C10—H10118.6
C11—N3—C15118.8 (3)C9—C10—H10118.6
C11—N3—Mn1123.2 (2)N3—C11—H11118.6
C15—N3—Mn1117.3 (2)C12—C11—H11118.6
C20—N4—C16118.6 (3)C13—C12—H12120.6
C20—N4—Mn1123.6 (2)C11—C12—H12120.6
C16—N4—Mn1117.7 (2)C12—C13—H13120.5
C27—N5—C31118.7 (3)C14—C13—H13120.5
C27—N5—Mn2123.7 (3)C13—C14—H14120.2
C31—N5—Mn2116.7 (2)C15—C14—H14120.2
C36—N6—C32119.0 (3)C18—C17—H17119.9
C36—N6—Mn2122.4 (2)C16—C17—H17119.9
C32—N6—Mn2118.6 (2)C19—C18—H18120.2
C37—N7—C41118.6 (3)C17—C18—H18120.2
C37—N7—Mn2124.6 (2)C18—C19—H19121.0
C41—N7—Mn2115.8 (2)C20—C19—H19121.0
C46—N8—C42118.2 (3)N4—C20—H20118.3
C46—N8—Mn2122.5 (2)C19—C20—H20118.3
C42—N8—Mn2117.8 (2)C23—C22—H22A108.6
N1—C1—C2123.5 (3)C21—C22—H22A108.6
C3—C2—C1118.2 (4)C23—C22—H22B108.6
C2—C3—C4119.6 (3)C21—C22—H22B108.6
C3—C4—C5119.4 (3)H22A—C22—H22B107.6
N1—C5—C4121.0 (3)C22—C23—H23A109.5
N1—C5—C6116.4 (3)S1—C23—H23A109.5
C4—C5—C6122.6 (3)C22—C23—H23B109.5
N2—C6—C7120.6 (3)S1—C23—H23B109.5
N2—C6—C5116.3 (3)H23A—C23—H23B108.1
C7—C6—C5123.1 (3)C25—C24—H24A108.3
C8—C7—C6119.3 (4)S1—C24—H24A108.3
C9—C8—C7119.6 (4)C25—C24—H24B108.3
C8—C9—C10118.5 (4)S1—C24—H24B108.3
N2—C10—C9122.7 (4)H24A—C24—H24B107.4
N3—C11—C12122.7 (4)C24—C25—H25A109.4
C13—C12—C11118.8 (4)C26—C25—H25A109.4
C12—C13—C14119.1 (4)C24—C25—H25B109.4
C13—C14—C15119.6 (4)C26—C25—H25B109.4
N3—C15—C14121.0 (4)H25A—C25—H25B108.0
N3—C15—C16115.7 (3)N5—C27—H27118.8
C14—C15—C16123.4 (3)C28—C27—H27118.8
N4—C16—C17120.1 (4)C29—C28—H28121.0
N4—C16—C15116.1 (3)C27—C28—H28121.0
C17—C16—C15123.7 (3)C30—C29—H29119.9
C18—C17—C16120.2 (4)C28—C29—H29119.9
C19—C18—C17119.7 (4)C29—C30—H30120.3
C18—C19—C20118.0 (4)C31—C30—H30120.3
N4—C20—C19123.4 (4)C34—C33—H33120.5
O2—C21—O1124.7 (3)C32—C33—H33120.5
O2—C21—C22116.0 (3)C35—C34—H34120.2
O1—C21—C22119.2 (3)C33—C34—H34120.2
C23—C22—C21114.5 (3)C34—C35—H35120.5
C22—C23—S1110.6 (3)C36—C35—H35120.5
C25—C24—S1115.8 (3)N6—C36—H36118.6
C24—C25—C26111.4 (4)C35—C36—H36118.6
O4—C26—O3124.4 (3)N7—C37—H37118.4
O4—C26—C25116.0 (3)C38—C37—H37118.4
O3—C26—C25119.6 (3)C39—C38—H38120.9
N5—C27—C28122.4 (4)C37—C38—H38120.9
C29—C28—C27118.1 (5)C38—C39—H39120.1
C30—C29—C28120.1 (4)C40—C39—H39120.1
C29—C30—C31119.4 (5)C39—C40—H40120.3
N5—C31—C30121.2 (4)C41—C40—H40120.3
N5—C31—C32116.2 (3)C44—C43—H43120.5
C30—C31—C32122.5 (4)C42—C43—H43120.5
N6—C32—C33120.5 (4)C45—C44—H44120.0
N6—C32—C31116.0 (3)C43—C44—H44120.0
C33—C32—C31123.5 (4)C44—C45—H45120.9
C34—C33—C32119.0 (4)C46—C45—H45121.0
C35—C34—C33119.7 (4)N8—C46—H46118.4
C34—C35—C36119.0 (5)C45—C46—H46118.4
N6—C36—C35122.8 (4)
Table 1

Selected bond lengths (Å)

Mn1—O2i2.121 (2)
Mn1—O12.124 (2)
Mn1—N12.234 (3)
Mn1—N42.236 (3)
Mn1—N32.254 (3)
Mn1—N22.293 (3)
Mn2—O4ii2.110 (2)
Mn2—O32.112 (2)
Mn2—N82.255 (3)
Mn2—N62.263 (3)
Mn2—N52.298 (3)
Mn2—N72.301 (3)

Symmetry codes: (i) ; (ii) .

  3 in total

1.  A homochiral metal-organic porous material for enantioselective separation and catalysis

Authors: 
Journal:  Nature       Date:  2000-04-27       Impact factor: 49.962

2.  Syntheses and characterizations of three-dimensional channel-like polymeric lanthanide complexes constructed by 1,2,4,5-benzenetetracarboxylic acid.

Authors:  Rong Cao; Daofeng Sun; Yucang Liang; Maochun Hong; Kazuyuki Tatsumi; Qian Shi
Journal:  Inorg Chem       Date:  2002-04-22       Impact factor: 5.165

3.  A short history of SHELX.

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

  3 in total

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