Information card for entry 7211107

Structure parameters

• Chemical name: bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 6 Chloroform
• Formula: C48 H62 Cd2 Cl18 F6 N18 S2 Si
• Calculated formula: C48 H62 Cd2 Cl18 F6 N18 S2 Si
• Title of publication: Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon
• Authors of publication: Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 8280
• a: 14.4685 ± 0.0012 Å
• b: 22.858 ± 0.003 Å
• c: 23.048 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7622.5 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No