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Information card for entry 4089625
Preview
Coordinates | 4089625.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H86 I2 Ni3 P3 |
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Calculated formula | C57 H86 I2 Ni3 P3 |
SMILES | [Ni]1234[Ni]56([I]1)[P](Cc1c([c]75[cH]5[Ni]89(I)[P](Cc%10ccc(cc%10[c]59[cH]8[c]3(c3c(C[P]2(C(C)C)C(C)C)ccc(c3)C(C)(C)C)[c]467)C(C)(C)C)(C(C)C)C(C)C)cc(cc1)C(C)(C)C)(C(C)C)C(C)C |
Title of publication | Trinuclear Nickel Complexes with Metal-Arene Interactions Supported by Tris- and Bis(phosphinoaryl)benzene Frameworks. |
Authors of publication | Suseno, Sandy; Horak, Kyle T.; Day, Michael W.; Agapie, Theodor |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 23 |
Pages of publication | 6883 - 6886 |
a | 13.2841 ± 0.0006 Å |
b | 31.8372 ± 0.0015 Å |
c | 14.5613 ± 0.0007 Å |
α | 90° |
β | 109.132 ± 0.002° |
γ | 90° |
Cell volume | 5818.2 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0364 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0462 |
Weighted residual factors for all reflections included in the refinement | 0.0468 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.9 |
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/4089625.html
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