Information card for entry 7016660

Structure parameters

• Formula: C56 H60 Al2 Ni P2
• Calculated formula: C56 H60 Al2 Ni P2
• SMILES: [Ni]([Al]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([Al]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Mixed phosphine and group-13 metal ligator complexes [(PR(3))(a)M(ECp*)(b)] (M = Mo, Ni; E = Ga, Al; R = C(6)H(5), cyclo-C(6)H(11), CH(3)).
• Authors of publication: Molon, Mariusz; Bollermann, Timo; Gemel, Christian; Schaumann, Julian; Fischer, Roland A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10769 - 10774
• a: 11.5183 ± 0.0005 Å
• b: 21.7943 ± 0.0009 Å
• c: 22.2311 ± 0.0008 Å
• α: 117.737 ± 0.004°
• β: 92.013 ± 0.003°
• γ: 94.562 ± 0.003°
• Cell volume: 4907.3 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No