Information card for entry 7114355

Structure parameters

• Chemical name: Tetrakis(3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl) Sulfato Bis(thiocyanato) Dinickel(II), Bis(methanol) Bis(chloroform) Solvate
• Formula: C46 H66 Cl6 N18 Ni2 O6 S3
• Calculated formula: C46 H64 Cl6 N18 Ni2 O6 S3
• Title of publication: Mixed-anion complexes with a bipyrazolyl ligand. A new entry to a realm of three-dimensional five-connected coordination topologiesElectronic supplementary information (ESI) available: crystal structure determination and refinement details for 1–4. See http://www.rsc.org/suppdata/cc/b1/b110599j/
• Authors of publication: Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Chernega, Alexander N.; Sieler, Joachim; Domasevitch, Konstantin V.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 436
• a: 13.625 ± 0.0014 Å
• b: 21.376 ± 0.002 Å
• c: 22.072 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6428.4 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1762
• Weighted residual factors for significantly intense reflections: 0.1149
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No