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Information card for entry 4313888
Preview
Coordinates | 4313888.cif |
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Original paper (by DOI) | HTML |
Formula | C59 H43 Cd N5 O3 |
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Calculated formula | C59 H43 Cd N5 O3 |
SMILES | [Cd]123([O]=C(O1)C)[n]1c4C(=c5n2c(=C(c2[n]3c(=C(c3n(NC(=O)c6ccccc6)c(cc3)C(=c1cc4)c1ccccc1)c1ccccc1)cc2)c1ccccc1)cc5)c1ccccc1.c1ccccc1 |
Title of publication | Metal Complexes of N-Benzamidoporphyrin: (N-Benzimido-meso-tetraphenylporphyrinato)(methanol)zinc(II) Methanol Solvate and (Acetato)(N-benzamido-meso-tetraphenylporphyrinato)cadmium(II) Benzene Solvate |
Authors of publication | Fuh-An Yang; Jyh-Horung Chen; Hsi-Ying Hsieh; Shanmugam Elango; Lian-Pin Hwang |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 4603 - 4609 |
a | 26.3446 ± 0.0012 Å |
b | 11.4355 ± 0.0006 Å |
c | 32.3171 ± 0.0016 Å |
α | 90° |
β | 91.548 ± 0.001° |
γ | 90° |
Cell volume | 9732.4 ± 0.8 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.1666 |
Residual factor for significantly intense reflections | 0.0979 |
Weighted residual factors for significantly intense reflections | 0.1751 |
Weighted residual factors for all reflections included in the refinement | 0.1989 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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