Information card for entry 4325447

Structure parameters

• Formula: C78 H114 Ga6 Mo
• Calculated formula: C78 H114 Ga6 Mo
• SMILES: [Mo]([Ga]12C3([C]1(=[C]2(C(=C3C)C)C)C)C)([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)([Ga]C1(C(=C(C(=C1C)C)C)C)C)([Ga]12[C]3(=[C]1(C2(C(=C3C)C)C)C)C)[Ga]12[C]3(=[C]1(C2(C(=C3C)C)C)C)C.c1(cc(cc(c1)C)C)C.c1(cc(cc(c1)C)C)C
• Title of publication: Homoleptic Hexa and Penta Gallylene Coordinated Complexes of Molybdenum and Rhodium
• Authors of publication: Timo Bollermann; Thomas Cadenbach; Christian Gemel; Kerstin Freitag; Mariusz Molon; Vanessa Gwildies; Roland A. Fischer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5808 - 5814
• a: 12.2106 ± 0.0009 Å
• b: 14.741 ± 0.0012 Å
• c: 21.1396 ± 0.0017 Å
• α: 79.893 ± 0.007°
• β: 87.157 ± 0.007°
• γ: 77.266 ± 0.007°
• Cell volume: 3653.6 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.756
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No