Information card for entry 7125183

Structure parameters

• Formula: C62 H44 Mo4 N22 Ni S2
• Calculated formula: C62 H44 Mo4 N22 Ni S2
• Title of publication: A heteropentanuclear metal string complex [Mo₂NiMo₂(tpda)₄(NCS)₂] with two linearly aligned quadruply bonded Mo₂ units connected by a Ni ion and a meso configuration of the complex.
• Authors of publication: Hung, Wei-Chieh; Sigrist, Marc; Hua, Shao-An; Wu, Lai-Chin; Liu, Tsai-Jung; Jin, Bih-Yaw; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 83
• Pages of publication: 12380 - 12382
• a: 17.6253 ± 0.0007 Å
• b: 13.6069 ± 0.0005 Å
• c: 24.0534 ± 0.0007 Å
• α: 90°
• β: 101.343 ± 0.002°
• γ: 90°
• Cell volume: 5655.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No