Information card for entry 8102765

Structure parameters

• Common name: [μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo-[19.3.1.1^9,13^]tetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diol] dinickel(II) 1,3-benzenedicarboxylic acid methanol
• Chemical name: [μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo-[19.3.1.1^9,13^]tetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diol] dinickel(II) -1,3-benzenedicarboxylic acid -methanol
• Formula: C131 H173 N16 Ni8 O31
• Calculated formula: C131 H173 N16 Ni8 O31
• Title of publication: Crystal structure of aqua[m-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.19,13]tetracosa-1(24),9(25),10,12,21,23-hexaene-25,26-diol]-(1,3-benzenedicarboxylato)dinickel(II) — methanol (1:0.75), Ni2(H2O)(C24H34N4O2)(C8H4O4) · 0.75CH3OH
• Authors of publication: Huan-Huan Chen; Ying-Ying Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 433
• a: 17 ± 0.005 Å
• b: 20 ± 0.005 Å
• c: 20 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6568 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0961
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No