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Information card for entry 7011534
Preview
Coordinates | 7011534.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H34 Cl2 N2 O6 P2 |
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Calculated formula | C15 H34 Cl2 N2 O6 P2 |
SMILES | ClC(Cl)(P(=O)([O-])OCC)P(=O)([O-])OCC.[NH2+]1CCCCC1.[NH2+]1CCCCC1 |
Title of publication | A structural study of bisphosphonate metal complexes. Alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P,P'-diethyl ester |
Authors of publication | Kontturi, Mervi; Vuokila-Laine, Eija; Peräniemi, Sirpa; Pakkanen, Tuula T.; Vepsäläinen, Jouko J.; Ahlgrén, Markku |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 9 |
Pages of publication | 1969 |
a | 9.4317 ± 0.0002 Å |
b | 11.2372 ± 0.0003 Å |
c | 11.9292 ± 0.0004 Å |
α | 105.774 ± 0.001° |
β | 98.221 ± 0.002° |
γ | 106.067 ± 0.002° |
Cell volume | 1136.17 ± 0.06 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0396 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0718 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/7011534.html
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Users of the data should acknowledge the original authors of the
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