Information card for entry 7211106

Structure parameters

• Chemical name: bis-Thiocyanato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole)cadmium(II), solvate with 0.66 Dichloromethane
• Formula: C22.667 H29.333 Cd Cl1.333 N10 S2
• Calculated formula: C22.6667 H28 Cd Cl1.3336 N10 S2
• 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: 25.791 ± 0.002 Å
• b: 25.791 ± 0.002 Å
• c: 11.1284 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6410.6 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No