Information card for entry 8102539

Structure parameters

• Chemical name: [3,7,11,19,23,27-hexaaza-33,34-dihydroxy-15,31-dimethyl-tricyclo- tetratriaconta-1(32),13,15,17(34),29(33),30-hexaene]dizinc(II) dichloride methanol solvate
• Formula: C31 H52 Cl2 N6 O3 Zn2
• Calculated formula: C31 H52 Cl2 N6 O3 Zn2
• Title of publication: Crystal structure of [3,7,11,19,23,27-hexaaza-33,34-dihydroxy-15,31-dimethyl-tricyclo-tetratriaconta- 1(32),13,15,17(34),29(33),30-hexaene]dizinc(II) dichloride — methanol (1:1), [Zn2(C30H48N6O2)]Cl2 · CH3OH
• Authors of publication: Hai-Yan Liu; Dao-Cheng Xia; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 629
• a: 8.5766 ± 0.001 Å
• b: 10.5889 ± 0.0009 Å
• c: 11.7905 ± 0.0014 Å
• α: 63.609 ± 0.01°
• β: 75.129 ± 0.01°
• γ: 84.045 ± 0.008°
• Cell volume: 927 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No