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Information card for entry 4319882
Preview
Coordinates | 4319882.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H62 B2 Br6 Cr N12 |
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Calculated formula | C41 H62 B2 Br6 Cr N12 |
SMILES | [Cr]123([n]4n(cc(Br)c4C(C)C)[BH](n4[n]1cc(Br)c4C(C)C)n1[n]2c(c(Br)c1)C(C)C)[n]1n(cc(Br)c1C(C)C)[BH](n1[n]3c(c(Br)c1)C(C)C)n1nc(c(Br)c1)C(C)C.CCCCC |
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 | 10.126 ± 0.0008 Å |
b | 14.329 ± 0.0007 Å |
c | 20.877 ± 0.0018 Å |
α | 107.851 ± 0.005° |
β | 91.252 ± 0.004° |
γ | 109.921 ± 0.004° |
Cell volume | 2683.7 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1181 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.132 |
Weighted residual factors for all reflections included in the refinement | 0.1526 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4319882.html
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