Information card for entry 7126680

Structure parameters

• Formula: C40 H64 Mo2
• Calculated formula: C40 H64 Mo2
• SMILES: [Mo]1234567([cH]8[cH]9[cH]%10[cH]([cH]2[cH]18)[Mo]128%1179%10[cH]7[c]%11([cH]8[c]2([c]17C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]3[c]4(C(C)(C)C)[c]5([cH]61)C(C)(C)C)C(C)(C)C
• Title of publication: A dinuclear Mo₂H₈ complex supported by bulky C₅H₂^tBu₃ ligands.
• Authors of publication: Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 58
• Pages of publication: 8035 - 8038
• a: 21.34 ± 0.004 Å
• b: 19.875 ± 0.003 Å
• c: 19.984 ± 0.003 Å
• α: 90°
• β: 119.218 ± 0.003°
• γ: 90°
• Cell volume: 7397 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No