Information card for entry 1571807

Structure parameters

• Chemical name: Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)
• Formula: C63 H70 B2 Co N6
• Calculated formula: C63 H70 B2 Co N6
• Title of publication: Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)
• Authors of publication: Shin, Jeongcheol; Kim, Jin; Choi, Jonghoon
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 6
• a: 18.1245 ± 0.0016 Å
• b: 11.6689 ± 0.001 Å
• c: 26.067 ± 0.002 Å
• α: 90°
• β: 90.332 ± 0.002°
• γ: 90°
• Cell volume: 5512.9 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No