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Information card for entry 4075056
Preview
Coordinates | 4075056.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [{-CH2P(Ph)C(NHcy)(Ncy)}2] |
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Formula | C40 H60 N4 P2 |
Calculated formula | C40 H60 N4 P2 |
SMILES | P(C(=N\C1CCCCC1)/NC1CCCCC1)(c1ccccc1)CCP(/C(=N\C1CCCCC1)NC1CCCCC1)c1ccccc1 |
Title of publication | Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study |
Authors of publication | Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 10 |
Pages of publication | 2470 |
a | 9.2204 ± 0.0007 Å |
b | 10.0638 ± 0.0008 Å |
c | 11.1221 ± 0.0009 Å |
α | 110.804 ± 0.005° |
β | 97.381 ± 0.005° |
γ | 94.342 ± 0.004° |
Cell volume | 948.53 ± 0.13 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0861 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1227 |
Weighted residual factors for all reflections included in the refinement | 0.1353 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4075056.html
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