Information card for entry 4307558

Structure parameters

• Formula: C94 H148 Ga2 N6 Ni O3
• Calculated formula: C94 H148 Ga2 N6 Ni O3
• SMILES: [Ga]1([Ni]234([Ga]5[N](=C(N5c5c(cccc5C(C)C)C(C)C)N(C5CCCCC5)C5CCCCC5)c5c(cccc5C(C)C)C(C)C)[CH]5=[CH]2CC[CH]3=[CH]4CC5)[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Homo- and Heteroleptic Complexes of Four-Membered Group 13 Metal(I) N-Heterocyclic Carbene Analogues with Group 10 Metal(0) Fragments
• Authors of publication: Shaun P. Green; Cameron Jones; Andreas Stasch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 11 - 13
• a: 13.496 ± 0.003 Å
• b: 18.139 ± 0.004 Å
• c: 18.576 ± 0.004 Å
• α: 80.05 ± 0.03°
• β: 81.38 ± 0.03°
• γ: 82.52 ± 0.03°
• Cell volume: 4403 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No