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Information card for entry 4313598
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Coordinates | 4313598.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H24 Br Cl2 O2 P |
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Calculated formula | C27 H22 Br Cl2 O2 P |
Title of publication | Influence of Hydrogen Bonding in Competition with Lattice Interactions on Carbonyl Coordination at Phosphorus. Implications for Phosphoryl Transfer Activated States1 |
Authors of publication | A. Chandrasekaran; Natalya V. Timosheva; Roberta O. Day; Robert R. Holmes |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3285 - 3292 |
a | 9.9695 ± 0.0003 Å |
b | 11.0013 ± 0.0004 Å |
c | 13.2255 ± 0.0006 Å |
α | 75.8623 ± 0.0012° |
β | 80.083 ± 0.0013° |
γ | 72.456 ± 0.002° |
Cell volume | 1333.53 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0684 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1492 |
Weighted residual factors for all reflections included in the refinement | 0.1603 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4313598.html
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