Information card for entry 7003066

Structure parameters

• Formula: C29 H32 Cl N9 Ni O2 S5
• Calculated formula: C29 H28 Cl N9 Ni O2 S5
• Title of publication: Strong electron-accepting methylviologen dication confined in magnetic hosts: synthesis, structural characterization, charge-transfer and magnetic properties of {(MV)2[Ni(SCN)5]·Cl·2H2O}n and {(MV)[M(N3)2(SCN)2]}n (M = Mn, Co)
• Authors of publication: Ju, Zhan-Feng; Yao, Qing-Xia; Wu, Wei; Zhang, Jie
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 355
• a: 6.4118 ± 0.0002 Å
• b: 23.716 ± 0.0006 Å
• c: 12.1682 ± 0.0003 Å
• α: 90°
• β: 96.579 ± 0.001°
• γ: 90°
• Cell volume: 1838.14 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No