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Information card for entry 4319729
Preview
Coordinates | 4319729.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H32 N6 Ni O3 |
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Calculated formula | C51 H32 N6 Ni O3 |
SMILES | [Ni]123N(n4c5=C(c6ccccc6)c6[n]1c(=C(c1ccccc1)c1n2c(cc1)C(=c1[n]3c(cc1)C(=c4cc5)c1ccccc1)c1ccccc1)cc6)C(=O)c1ccc(N(=O)=O)cc1 |
Title of publication | Metal Complexes of N-p-Nitrobenzoylamido-meso-tetraphenylporphyrin: cis-Acetato-N-p-nitrobenzoylimido-meso- tetraphenylporphyrinatothallium(III) and N-p-Nitrobenzoylimido-meso- tetraphenylporphyrinatonickel(II) |
Authors of publication | Chen-Shing Chang; Ching-Huei Chen; Yu-I Li; Bing-Chuang Liau; Bao-Tsan Ko; Shanmugham Elango; Jyh-Horung Chen; Lian-Pin Hwang |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 2905 - 2909 |
a | 22.5402 ± 0.0011 Å |
b | 15.75 ± 0.0008 Å |
c | 22.6703 ± 0.0011 Å |
α | 90° |
β | 96.81 ± 0.001° |
γ | 90° |
Cell volume | 7991.4 ± 0.7 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.0621 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1125 |
Weighted residual factors for all reflections included in the refinement | 0.1201 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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