Information card for entry 7016661

Structure parameters

• Formula: C56 H96 Ga2 Ni P2
• Calculated formula: C56 H96 Ga2 Ni P2
• SMILES: [Ni]([Ga]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([Ga]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: 11.9834 ± 0.0007 Å
• b: 16.4634 ± 0.0011 Å
• c: 17.905 ± 0.0012 Å
• α: 87.267 ± 0.006°
• β: 73.27 ± 0.006°
• γ: 85.217 ± 0.005°
• Cell volume: 3370.1 ± 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: 0.1057
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No