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Information card for entry 4326499
Preview
Coordinates | 4326499.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H41 I2 N Ni O P2 |
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Calculated formula | C38 H41 I2 N Ni O P2 |
SMILES | [Ni]12(I)[P](CC[N]2(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[I-].O1CCCC1 |
Title of publication | Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides |
Authors of publication | Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10213 - 10224 |
a | 9.7033 ± 0.0003 Å |
b | 12.3287 ± 0.0004 Å |
c | 15.5781 ± 0.0005 Å |
α | 86.494 ± 0.001° |
β | 87.522 ± 0.001° |
γ | 89.192 ± 0.001° |
Cell volume | 1858.24 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0348 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0586 |
Weighted residual factors for all reflections included in the refinement | 0.0601 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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