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Information card for entry 7209746
Preview
Coordinates | 7209746.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C134 H104 Cr2 Mn2 N20 O10 |
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Calculated formula | C134 H104 Cr2 Mn2 N20 O10 |
SMILES | [Cr]123(N(C(=O)c4[n]3cccc4)c3ccccc3N1C(=O)c1[n]2cccc1)(C#[N][Mn]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c1ccccc1)c4cc5)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)[N]#C[Cr]123(N(c4ccccc4N1C(=O)c1[n]2cccc1)C(=O)c1[n]3cccc1)C#N)C#N.[Mn]123([OH]C)([OH]C)n4c5C(=c6[n]3c(C(=c3n2c(=C(c2[n]1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1.OC.OC.OC.OC |
Title of publication | Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties |
Authors of publication | Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 13 |
Pages of publication | 2504 |
a | 15.0924 ± 0.0007 Å |
b | 19.7862 ± 0.0009 Å |
c | 21.0071 ± 0.0011 Å |
α | 70.461 ± 0.003° |
β | 81.22 ± 0.003° |
γ | 88.865 ± 0.003° |
Cell volume | 5839.4 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1311 |
Weighted residual factors for all reflections included in the refinement | 0.1615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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