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Information card for entry 7038641
Preview
Coordinates | 7038641.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H60 N4 Na Ni O P4 Ti |
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Calculated formula | C68 H60 N4 Na Ni O1.269 P4 Ti |
SMILES | [Ni]123[Ti]4([n]5c(ccc5)[P]4(c4ccccc4)c4ccccc4)(n4c([P]3(c3ccccc3)c3ccccc3)ccc4)(n3c([P]2(c2ccccc2)c2ccccc2)ccc3)n2c([P]1(c1ccccc1)c1ccccc1)ccc2.[Na+].O1CCCC1 |
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 | 14.5006 ± 0.0003 Å |
b | 14.7943 ± 0.0003 Å |
c | 16.1167 ± 0.0003 Å |
α | 98.34 ± 0.001° |
β | 107.47 ± 0.001° |
γ | 94.6 ± 0.001° |
Cell volume | 3234.93 ± 0.11 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1042 |
Weighted residual factors for all reflections included in the refinement | 0.1102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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