Information card for entry 2014047

Structure parameters

• Chemical name: Pentaethylenehexamine manganese(II) pentaborate
• Formula: C10 H36 B10 Mn N6 O20
• Calculated formula: C10 H36 B10 Mn N6 O20
• SMILES: C1C[NH]2CC[NH]3CC[NH]4[Mn]523([NH2]1)[NH2]CC[NH]5CC4.OB1OB(O)O[B]2(OB(O)OB(O)O2)O1.B1(O)OB(O)O[B]2(OB(O)OB(O)O2)O1
• Title of publication: Pentaethylenehexaminemanganese(II) pentaborate
• Authors of publication: Hong-Xia Zhang; Shou-Tian Zheng; Guo-Yu Yang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m241 - m243
• a: 11.906 ± 0.0001 Å
• b: 14.795 ± 0.0006 Å
• c: 18.6611 ± 0.0007 Å
• α: 90°
• β: 97.057 ± 0.002°
• γ: 90°
• Cell volume: 3262.24 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1469
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No