Information card for entry 7109245

Structure parameters

• Formula: C66.2 H87.8 Mo2 N6 O4
• Calculated formula: C62 H78 Mo2 N6 O4
• SMILES: c1(c(C(C)C)cccc1C(C)C)[N]1=C(c2ccccc2)N(c2c(C(C)C)cccc2C(C)C)[Mo]234[Mo]1([N](=C(c1ccccc1)N2c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)([O]=NO3)[O]=NO4
• Title of publication: Divergent reactivity of nitric oxide with metal-metal quintuple bonds
• Authors of publication: Pei-Fang Wu; Shih-Cheng Liu; Yun-Jen Shieh; Ting-Shen Kuo; Gene-Hsiang Lee; Yu Wang; Yi-Chou Tsai
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4391
• a: 13.5514 ± 0.0013 Å
• b: 13.6186 ± 0.0013 Å
• c: 34.248 ± 0.003 Å
• α: 90°
• β: 99.118 ± 0.002°
• γ: 90°
• Cell volume: 6240.6 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No