Information card for entry 4512638

Structure parameters

• Formula: C33 H43.5 Cr F Mn N O19
• Calculated formula: C33 H43.5 Cr F Mn N O19
• Title of publication: Three-Dimensional Architectures of [MnIICrIII(oxalate)3]−Complexes with Cage-Type Networks Surrounding Supramolecular Cations
• Authors of publication: Endo, Toru; Kubo, Kazuya; Yoshitake, Masashi; Noro, Shin-ichiro; Hoshino, Norihisa; Akutagawa, Tomoyuki; Nakamura, Takayoshi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1186
• a: 16.8907 ± 0.0006 Å
• b: 14.2315 ± 0.0004 Å
• c: 32.9968 ± 0.001 Å
• α: 90°
• β: 91.3408 ± 0.0011°
• γ: 90°
• Cell volume: 7929.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.1128
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No