Information card for entry 7707846

Structure parameters

• Chemical name: [Co(5tpybNOH)2](BPh4)2
• Formula: C97 H104 B2 Co N10 O5
• Calculated formula: C97 H104 B2 Co N10 O5
• Title of publication: Spin transition triggered by desorption of crystal solvents for a two-dimensional cobalt(ii) complex with hydrogen bonding.
• Authors of publication: Kanetomo, Takuya; Inokuma, Kiwamu; Naoi, Yuya; Enomoto, Masaya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 32
• Pages of publication: 11243 - 11248
• a: 23.3784 ± 0.0004 Å
• b: 19.8247 ± 0.0003 Å
• c: 22.6637 ± 0.0004 Å
• α: 90°
• β: 90.025 ± 0.002°
• γ: 90°
• Cell volume: 10503.9 ± 0.3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No