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Information card for entry 4075056
Preview
| Coordinates | 4075056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [{-CH2P(Ph)C(NHcy)(Ncy)}2] |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4075056.cif |
| 178639 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/50. |
4075056.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075056.cif |
| 49039 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075055, 4075056, 4075057, 4075058, 4075059, 4075060 via cif-deposit CGI script. |
4075056.cif |
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Users of the data should acknowledge the original authors of the
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