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Information card for entry 4319880
Preview
Coordinates | 4319880.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H25 B Br3 Cl Fe N6 |
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Calculated formula | C18 H25 B Br3 Cl Fe N6 |
SMILES | [BH]12n3cc(Br)c(C(C)C)[n]3[Fe](Cl)([n]3c(C(C)C)c(Br)cn13)[n]1c(C(C)C)c(Br)cn21 |
Title of publication | Variable Coordination Modes of Hydrotris(3-isopropyl-4-bromopyrazolyl)borate (Tp') in Fe(II), Mn(II), Cr(II), and Cr(III) Complexes: Formation of MTp'Cl (M = Fe and Mn), Structural Isomerism in CrTp'2, and the Observation of Tp'- as an Uncoordinated Anion |
Authors of publication | Tim J. Brunker; Tony Hascall; Andrew R. Cowley; Leigh H. Rees; Dermot O'Hare |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 3170 - 3176 |
a | 10.87 ± 0.001 Å |
b | 14.462 ± 0.001 Å |
c | 15.798 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2483.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C c m 21 |
Hall space group symbol | C 2c -2c |
Residual factor for all reflections | 0.0339 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.0661 |
Weighted residual factors for all reflections included in the refinement | 0.0669 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4319880.html
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