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Information card for entry 7021725
Preview
Coordinates | 7021725.cif |
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Original paper (by DOI) | HTML |
Chemical name | μ-Diiodobis(μ-(3-diphenylphosphanecarbonylphenyl)- diphenylphosphanylmethanone)dicopper(I) tetrahydrofuran solvate |
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Formula | C68 H56 Cu2 I2 O5 P4 |
Calculated formula | C68 H56 Cu2 I2 O5 P4 |
Title of publication | New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies. |
Authors of publication | Kumar, Pawan; Siddiqui, Mujahuddin M.; Reddi, Yerrnaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 32 |
Pages of publication | 11385 - 11399 |
a | 13.0999 ± 0.0019 Å |
b | 29.083 ± 0.004 Å |
c | 18.143 ± 0.003 Å |
α | 90° |
β | 110.317 ± 0.002° |
γ | 90° |
Cell volume | 6482.2 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0681 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.1031 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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