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Information card for entry 7038640
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Coordinates | 7038640.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 15137 |
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Formula | C70 H58 Hf N4 Ni P4 |
Calculated formula | C70 H58 Hf N4 Ni P4 |
SMILES | [Hf]1234([Ni]([P](c5n2ccc5)(c2ccccc2)c2ccccc2)([P](c2n3ccc2)(c2ccccc2)c2ccccc2)[P](c2n4ccc2)(c2ccccc2)c2ccccc2)[P](c2n1ccc2)(c1ccccc1)c1ccccc1.c1ccccc1 |
Title of publication | Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands. |
Authors of publication | Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 24 |
Pages of publication | 9892 - 9901 |
a | 11.2134 ± 0.0003 Å |
b | 23.6739 ± 0.0005 Å |
c | 22.8293 ± 0.0005 Å |
α | 90° |
β | 103.826 ± 0.001° |
γ | 90° |
Cell volume | 5884.8 ± 0.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0488 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections included in the refinement | 0.0955 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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