Information card for entry 7028026

Structure parameters

• Common name: compound 3
• Formula: C80.75 H107.62 B2 Br Co2 N9.38 O0.25
• Calculated formula: C80.76 H107.64 B2 Br Co2 N9.38 O0.25
• Title of publication: Tuning the metal‒metal separation in pyrazolate-based dinuclear complexes by the length of chelating side arms ‡
• Authors of publication: Meyer, Franc; Heinze, Katja; Nuber, Bernhard; Zsolnai, Laszlo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 2
• Pages of publication: 207
• a: 12.822 ± 0.002 Å
• b: 15.234 ± 0.003 Å
• c: 23.07 ± 0.003 Å
• α: 72.44 ± 0.01°
• β: 74.34 ± 0.01°
• γ: 66.65 ± 0.01°
• Cell volume: 3885.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1917
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections: 0.3044
• Weighted residual factors for significantly intense reflections: 0.2473
• Goodness-of-fit parameter for all reflections: 1.177
• Goodness-of-fit parameter for significantly intense reflections: 1.367
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No