Information card for entry 8102572

Structure parameters

• Chemical name: [3,7,11,18,22,26-hexaazatricyclo[26.2.2.2^13,16^] tetratriaconta- 1(31),13(34),14,16(33), 28(32),29-hexaene] dinickel tetra-chloride methanol monhydrate
• Formula: C29 H51 Cl4 N6 Ni2 O2
• Calculated formula: C29 H52 Cl4 N6 Ni2 O2
• Title of publication: Crystal structure of [3,7,11,18,22,26-hexaaza-tricyclo[26.2.2.213,16]-tetratriaconta-1(31),13(34),14,16(33),28(32),29-hexaene]dinickel tetrachloride — methanol — water (1:1:1), Ni2(C28H46N6)Cl4 · CH3OH · H2O
• Authors of publication: Hua Wu; Dao-Cheng Xia; Hai-Yan Liu; Hong-Ye Bai; 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: 695
• a: 10.928 ± 0.002 Å
• b: 15.437 ± 0.003 Å
• c: 11.621 ± 0.002 Å
• α: 90°
• β: 106.59 ± 0.03°
• γ: 90°
• Cell volume: 1878.8 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0733
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No