Information card for entry 7004159

Structure parameters

• Formula: C16 H28 Cu4 Mo N12 O6
• Calculated formula: C16 H28 Cu4 Mo N12 O6
• Title of publication: 3D coordination metal‒organic frameworks of octacyanometalate bridging between Cu4 magnetic units
• Authors of publication: Wang, Zhao-Xi; Li, Xi-Li; Liu, Bao-Lin; Tokoro, Hiroko; Zhang, Peng; Song, You; Ohkoshi, Shin-ichi; Hashimoto, Kazuhito; You, Xiao-Zeng
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 2103 - 2106
• a: 11.7166 ± 0.0013 Å
• b: 10.1526 ± 0.0011 Å
• c: 23.395 ± 0.003 Å
• α: 90°
• β: 90.738 ± 0.002°
• γ: 90°
• Cell volume: 2782.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No