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Information card for entry 2209217
Preview
Coordinates | 2209217.cif |
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Structure factors | 2209217.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[bis[[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol- κ^2^N^7^,N^8^]cadmium(II)]-di-μ~3~-benzene-1,3-dicarboxylato- κ^4^O:O':O'',O'''] |
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Formula | C54 H32 Cd2 N8 O10 |
Calculated formula | C54 H32 Cd2 N8 O10 |
SMILES | C1(c2cccc(c2)C(=O)[O-])=[O][Cd]234([n]5cccc6c7c(c8ccc[n]2c8c56)[nH]c(c2ccc(cc2)O)n7)OC(c2cccc(c2)C2=[O][Cd]56(O2)([O]=C(c2cccc(c2)C(=[O]3)O4)O[Cd]2([n]3cccc4c7c(c8ccc[n]2c8c34)[nH]c(c2ccc(cc2)O)n7)[O]=C(c2cccc(c2)C(=O)[O-])O6)[n]2cccc3c4c(c6ccc[n]5c6c23)[nH]c(c2ccc(cc2)O)n4)=[O][Cd]2(O1)[n]1cccc3c4c(c5ccc[n]2c5c13)[nH]c(c1ccc(cc1)O)n4 |
Title of publication | <i>catena</i>-Poly[bis[[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol-κ^2^<i>N</i>^7^,<i>N</i>^8^]cadmium(II)]-di-μ~3~-benzene-1,3-dicarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>'''] |
Authors of publication | Guang-Bo Che; Chun-Bo Liu; Yun-Cheng Cui; Chuan-Bi Li |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 6 |
Pages of publication | m1362 - m1364 |
a | 15.1504 ± 0.0012 Å |
b | 16.5593 ± 0.0013 Å |
c | 18.9423 ± 0.0015 Å |
α | 90° |
β | 110.274 ± 0.001° |
γ | 90° |
Cell volume | 4457.8 ± 0.6 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.037 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for significantly intense reflections | 0.0696 |
Weighted residual factors for all reflections included in the refinement | 0.0731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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