Information card for entry 4348153

Structure parameters

• Formula: C102 H96 Mo4 N12 O12 S4
• Calculated formula: C106 H96 Mo4 N12 O14 S4
• Title of publication: Electronic Coupling between Two Covalently Bonded Dimolybdenum Units Bridged by a Naphthalene Group.
• Authors of publication: Zhu, Guang Yuan; Meng, Miao; Tan, Ying Ning; Xiao, Xuan; Liu, Chun Y.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6315 - 6322
• a: 9.6079 ± 0.0004 Å
• b: 12.7804 ± 0.0006 Å
• c: 20.3393 ± 0.0008 Å
• α: 92.208 ± 0.003°
• β: 99.738 ± 0.003°
• γ: 100.073 ± 0.004°
• Cell volume: 2417.61 ± 0.18 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No