Information card for entry 4339904

Structure parameters

• Common name: Mo2(DAniF)2]2H4
• Formula: C60 H64 Mo4 N8 O8
• Calculated formula: C60 H64 Mo4 N8 O8
• SMILES: N1(C=[N](c2ccc(OC)cc2)[Mo]23456[Mo]7819([H][Mo]1%1028([H]6)[N](=CN(c2ccc(OC)cc2)[Mo]57%10([H]3)([H]9)N(C=[N]1c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)N(c1ccc(OC)cc1)C=[N]4c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: A rare dimer of dimers having four hydride linkers joining two quadruply bonded dimolybdenum units.
• Authors of publication: Cotton, F. Albert; Murillo, Carlos A.; Zhao, Qinliang
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6858 - 6863
• a: 27.206 ± 0.005 Å
• b: 16.046 ± 0.003 Å
• c: 17.643 ± 0.003 Å
• α: 90°
• β: 129.913 ± 0.002°
• γ: 90°
• Cell volume: 5907.6 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No