Information card for entry 7010229

Structure parameters

• Chemical name: Cobalt(II) Benzoate bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl), bis(Bromobenzene) clathrate
• Formula: C46 H48 Br2 Co N8 O4
• Calculated formula: C46 H38 Br2 Co N8 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: 22.3175 ± 0.0007 Å
• b: 22.3175 ± 0.0007 Å
• c: 21.0429 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10480.9 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections: 0.2973
• Weighted residual factors for significantly intense reflections: 0.1848
• Goodness-of-fit parameter for all reflections: 1.159
• Goodness-of-fit parameter for significantly intense reflections: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No