Information card for entry 7110885

Structure parameters

• Formula: C40 H98 Cr2 N30 Ni3 O12
• Calculated formula: C40 H82 Cr2 N30 Ni3 O12
• Title of publication: Crystal structure and magnetic properties of a new two-dimensional cyano-bridged bimetallic assembly [NiL′]3[Cr(CN)5(NO)]2·10H2O (L′ = 3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)
• Authors of publication: Kou, Hui-Zhong; Gao, Song; Ma, Bao-Qing; Liao, Dai-Zheng
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 713
• a: 25.836 ± 0.005 Å
• b: 15.369 ± 0.003 Å
• c: 19.478 ± 0.004 Å
• α: 90°
• β: 105.15 ± 0.03°
• γ: 90°
• Cell volume: 7465 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No