Information card for entry 7028024

Structure parameters

• Common name: compound 1b
• Formula: C73 H93 B2 Co2 F N8 O0
• Calculated formula: C73 H93 B2 Co2 F N8
• SMILES: [Co]1234[F][Co]567[n]8n1c(cc8C[N]5(CCC[N]6(C)C)CCC[N]7(C)C)C[N]2(CCC[N]3(C)C)CCC[N]4(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.774 ± 0.001 Å
• b: 14.606 ± 0.002 Å
• c: 19.919 ± 0.003 Å
• α: 100.02 ± 0.01°
• β: 99.47 ± 0.01°
• γ: 101.16 ± 0.01°
• Cell volume: 3239.1 ± 0.7 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: 0.1508
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections: 0.1774
• Weighted residual factors for significantly intense reflections: 0.1387
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No