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Information card for entry 1556472
Preview
Coordinates | 1556472.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H59 B2 Ce N14 |
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Calculated formula | C42 H59 B2 Ce N14 |
SMILES | [Ce]12345([n]6n(c(cc6C)C)[BH](n6[n]1c(cc6C)C)n1[n]2c(cc1C)C)([n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(cc1C)C)n1[n]5c(cc1C)C.c1(ccccc1)C |
Title of publication | Synthesis and Reactivity of a Cerium(III) Scorpionate Complex Containing a Redox Non-Innocent 2,2'-Bipyridine Ligand |
Authors of publication | Ortu, F.; Zhu, H.; Boulon, M.-E.; Mills, D.P. |
Journal of publication | Inorganics |
Year of publication | 2015 |
Journal volume | 3 |
Pages of publication | 534 - 553 |
a | 11.1262 ± 0.0009 Å |
b | 14.692 ± 0.0014 Å |
c | 14.7874 ± 0.0014 Å |
α | 70.037 ± 0.009° |
β | 85.302 ± 0.008° |
γ | 81.302 ± 0.007° |
Cell volume | 2244.7 ± 0.4 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 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 | 0.0845 |
Residual factor for significantly intense reflections | 0.0642 |
Weighted residual factors for significantly intense reflections | 0.1312 |
Weighted residual factors for all reflections included in the refinement | 0.1414 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244958 (current) | 2019-12-09 | cif/ Adding structures of 1556472, 1556473, 1556474, 1556475 via cif-deposit CGI script. |
1556472.cif |
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Users of the data should acknowledge the original authors of the
structural data.