Information card for entry 4000713

Structure parameters

• Common name: Compound X
• 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: 10.45 ± 0.005 Å
• b: 10.45 ± 0.005 Å
• c: 22.736 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2482.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No