Information card for entry 7010230

Structure parameters

• Chemical name: Cobalt(II) Acetate Benzoate 3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl, bis(Bromobenzene) clathrate
• Formula: C31 H32 Br2 Co N4 O4
• Calculated formula: C31 H29 Br2 Co N4 O4
• Title of publication: Coordination polymers of CoII and 3,3',5,5'-tetramethyl-4,4'-bipyrazolyl: a novel metal‒organic three-dimensional network with four-coordinated planar vertices
• Authors of publication: Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Sieler, Joachim; Domasevitch, Konstantin V.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 893
• a: 14.1437 ± 0.001 Å
• b: 14.4751 ± 0.0011 Å
• c: 16.4467 ± 0.0012 Å
• α: 90°
• β: 97.733 ± 0.001°
• γ: 90°
• Cell volume: 3336.5 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections: 0.2386
• Weighted residual factors for significantly intense reflections: 0.1732
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No