Information card for entry 4000714

Structure parameters

• Formula: C12 H0 Mn2 N16 Nb O6
• Calculated formula: C12 Mn2 N16 Nb O6
• Title of publication: Multifunctional Magnetic Molecular {[MnII(urea)2(H2O)]2[NbIV(CN)8]}nSystem: Magnetization-Induced SHG in the Chiral Polymorph
• Authors of publication: Pinkowicz, Dawid; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Majcher, Anna Małgorzata; Nuida, Tomohiro; Ohkoshi, Shin-ichi; Sieklucka, Barbara
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 21
• a: 10.459 ± 0.0003 Å
• b: 10.46 ± 0.0003 Å
• c: 11.54 ± 0.0003 Å
• α: 83.159 ± 0.002°
• β: 82.12 ± 0.002°
• γ: 88.964 ± 0.002°
• Cell volume: 1241.66 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2593
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No