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Information card for entry 4331598
Preview
Coordinates | 4331598.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H28 N4 P2 |
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Calculated formula | C36 H28 N4 P2 |
SMILES | n1c(n(cc1)c1cccc(n2c(ncc2)P(c2ccccc2)c2ccccc2)c1)P(c1ccccc1)c1ccccc1 |
Title of publication | P(CH)P Pincer Rhodium(I) Complexes: The Key Role of Electron-Poor Imidazoliophosphine Extremities |
Authors of publication | Cécile Barthes; Christine Lepetit; Yves Canac; Carine Duhayon; Davit Zargarian; Remi Chauvin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 48 - 58 |
a | 10.1714 ± 0.0008 Å |
b | 20.5363 ± 0.0013 Å |
c | 15.1935 ± 0.0009 Å |
α | 90° |
β | 109.556 ± 0.003° |
γ | 90° |
Cell volume | 2990.6 ± 0.4 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0698 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for all reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.0468 |
Weighted residual factors for all reflections included in the refinement | 0.0446 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1229 |
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/4331598.html
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