Information card for entry 8102526

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 dicobalt tetra-chloride di-chloroform monhydrate
• Formula: C30 H50 Cl10 Co2 N6 O
• Calculated formula: C30 H50 Cl10 Co2 N6 O
• Title of publication: Crystal structure of 3,7,11,18,22,26-hexaazatricyclo[26.2.2.213,16]tetratriaconta-1(31),13(34),14,16(33),28(32),29-hexaenedicobalt(II) tetrachloride — chloroform — water (1:2:1), [Co2(C28H46N6)Cl4] · 2CHCl3 · H2O
• Authors of publication: Dao-Cheng Xia; Wan-Cheng Li; Shuai Shi; Ji-Huan Yao; Qiao-Juan Gong; Shuang Han; Qiu-Ping Han; Hong-Shi Jiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 521
• a: 9.31 ± 0.0019 Å
• b: 11.085 ± 0.002 Å
• c: 12 ± 0.002 Å
• α: 70.23 ± 0.03°
• β: 83.07 ± 0.03°
• γ: 65.71 ± 0.03°
• Cell volume: 1062 ± 0.5 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: 0.0622
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No