Information card for entry 1519070

Structure parameters

• Formula: C42 H50 Mn N14 O8
• Calculated formula: C42 Mn N14 O8
• SMILES: [Mn]([OH2])([OH2])([n]1cn(cc1)Cc1ccc(cc1)Cn1cncc1)([n]1cn(cc1)Cc1ccc(cc1)Cn1c[n](cc1)[Mn]([OH2])([OH2])([n]1cn(cc1)Cc1ccc(cc1)Cn1cncc1)([n]1cn(cc1)Cc1ccc(Cn2cncc2)cc1)[n]1cn(cc1)Cc1ccc(cc1)Cn1cncc1)[n]1cn(cc1)Cc1ccc(cc1)Cn1cncc1.O=N[O-].O.O=N[O-].O.O=N[O-].O.O=N[O-].O
• Title of publication: Crystal Structure of a New Quasi-Two-Dimensional Compound Containing 1,4-Bis(imidazol-1-ylmethyl)benzene (bix) and MnII ions.
• Authors of publication: Shen, Hao-Yu; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Wang, Geng-Lin; Yao, Xin-Kan; Wang, Hong-Gen
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 387 - 390
• a: 9.037 ± 0.002 Å
• b: 11.498 ± 0.002 Å
• c: 12.404 ± 0.002 Å
• α: 110.09 ± 0.03°
• β: 109.62 ± 0.03°
• γ: 93.05 ± 0.03°
• Cell volume: 1119.3 ± 0.5 ų
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.0725
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No