Information card for entry 4348151

Structure parameters

• Formula: C104 H100 Cl4 Mo4 N12 O16
• Calculated formula: C104 H96 Cl4 Mo4 N12 O16
• 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: 12.0793 ± 0.0004 Å
• b: 13.574 ± 0.0005 Å
• c: 15.0188 ± 0.0006 Å
• α: 83.485 ± 0.003°
• β: 84.65 ± 0.003°
• γ: 86.793 ± 0.003°
• Cell volume: 2433.42 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0806
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No