Information card for entry 4342826

Structure parameters

• Common name: XY06
• Formula: C56 H53 F6 Mn N9 O8 S2 V
• Calculated formula: C56 H53 F6 Mn N9 O8 S2 V
• Title of publication: Synthesis of Unsupported d(1)-d(x) Oxido-Bridged Heterobimetallic Complexes Containing V(IV): A New Direction for Metal-to-Metal Charge Transfer.
• Authors of publication: Wu, Xinyuan; Huang, Tao; Lekich, Travis T.; Sommer, Roger D.; Weare, Walter W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5322 - 5328
• a: 13.2168 ± 0.0003 Å
• b: 13.4371 ± 0.0003 Å
• c: 18.6579 ± 0.0004 Å
• α: 102.568 ± 0.001°
• β: 96.738 ± 0.001°
• γ: 118.684 ± 0.001°
• Cell volume: 2740.45 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No