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Information card for entry 4333881
Preview
Coordinates | 4333881.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H65 B2 N P2 |
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Calculated formula | C54 H65 B2 N P2 |
SMILES | [P]1(Cc2cc(cc3c4c([nH]c23)c(cc(c4)C(C)(C)C)C[P]2([C@H](CC[C@@H]2c2ccccc2)c2ccccc2)[BH3])C(C)(C)C)([C@H](CC[C@@H]1c1ccccc1)c1ccccc1)[BH3] |
Title of publication | Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals |
Authors of publication | Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 2050 - 2059 |
a | 13.495 ± 0.006 Å |
b | 14.299 ± 0.007 Å |
c | 24.239 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4677 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0711 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.097 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179441 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/38. |
4333881.cif |
99689 | 2014-02-03 | cif/ Adding structures of 4333881 via cif-deposit CGI script. |
4333881.cif |
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Users of the data should acknowledge the original authors of the
structural data.