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Information card for entry 4112412
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Coordinates | 4112412.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Chloronickel(II) 5,10,15,20-Tetraphenyl-p-benziporphyrin dichloromethane disolvate |
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Formula | C48 H34 Cl5 N3 Ni |
Calculated formula | C48 H34 Cl5.034 N3 Ni |
Title of publication | Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions |
Authors of publication | Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 4566 - 4580 |
a | 8.858 ± 0.001 Å |
b | 13.782 ± 0.001 Å |
c | 18.2964 ± 0.001 Å |
α | 68.408 ± 0.006° |
β | 85.394 ± 0.005° |
γ | 75.773 ± 0.005° |
Cell volume | 2013.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1051 |
Residual factor for significantly intense reflections | 0.0676 |
Weighted residual factors for significantly intense reflections | 0.176 |
Weighted residual factors for all reflections included in the refinement | 0.1948 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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