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Information card for entry 7217272
Preview
Coordinates | 7217272.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H50 Cd Cl2 O6 P2 |
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Calculated formula | C54 H46 Cd Cl2 O6.01 P2 |
Title of publication | Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding |
Authors of publication | Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 38 |
Pages of publication | 9010 |
a | 9.991 ± 0.003 Å |
b | 10.612 ± 0.003 Å |
c | 24.958 ± 0.006 Å |
α | 90° |
β | 104.45 ± 0.009° |
γ | 90° |
Cell volume | 2562.5 ± 1.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.0584 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.1583 |
Weighted residual factors for all reflections included in the refinement | 0.1653 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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