Information card for entry 7225974

Structure parameters

• Formula: C8 H22 Mn2 N18 O6
• Calculated formula: C8 H22 Mn2 N18 O6
• SMILES: c12C[NH]3Cc4nnn5[n]4[Mn]3(n1nnn2)(n1nnc2C[NH]3Cc4n(nnn4)[Mn]53([n]12)([OH2])[OH2])([OH2])[OH2].O.O
• Title of publication: Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties
• Authors of publication: Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 35
• Pages of publication: 6708
• a: 7.7738 ± 0.0005 Å
• b: 14.0313 ± 0.0009 Å
• c: 10.2395 ± 0.0007 Å
• α: 90°
• β: 100.987 ± 0.002°
• γ: 90°
• Cell volume: 1096.42 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No