Information card for entry 7036806

Structure parameters

• Formula: C80 H66 Cl13 Cr F12 N8 O V
• Calculated formula: C80 H66 Cl13 Cr F12 N8 O V
• Title of publication: Ferromagnetic coupling in d(1)-d(3) linear oxido-bridged heterometallic complexes: ground-state models of metal-to-metal charge transfer excited states.
• Authors of publication: Huang, Tao; Wu, Xinyuan; Song, Xiao; Xu, Hao; Smirnova, Tatyana I.; Weare, Walter W.; Sommer, Roger D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18937 - 18944
• a: 13.182 ± 0.0005 Å
• b: 13.6961 ± 0.0006 Å
• c: 27.0875 ± 0.0011 Å
• α: 101.953 ± 0.002°
• β: 95.065 ± 0.002°
• γ: 108.123 ± 0.002°
• Cell volume: 4485.3 ± 0.3 ų
• Cell temperature: 110.1 K
• Ambient diffraction temperature: 110.1 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: 0.084
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No