Information card for entry 2220506

Structure parameters

• Chemical name: Dichlorido(10,11,12,13-tetrahydro-4,5,9,14- tetraazabenzo[<i>b</i>]triphenylene)cadmium(II) hemihydrate
• Formula: C36 H29 Cd Cl2 N8 O0.5
• Calculated formula: C36 H29 Cd Cl2 N8 O0.5
• Title of publication: Dichlorido(10,11,12,13-tetrahydro-4,5,9,14-tetraazabenzo[<i>b</i>]triphenylene)cadmium(II) hemihydrate
• Authors of publication: Li, Chun-Xiang; Li, Xiu-Ying; Liu, Chun-Bo; Yan, Yong-Sheng; Che, Guang-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m53
• a: 15.369 ± 0.004 Å
• b: 14.237 ± 0.003 Å
• c: 16.506 ± 0.004 Å
• α: 90°
• β: 116.561 ± 0.003°
• γ: 90°
• Cell volume: 3230.5 ± 1.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes