Information card for entry 7052985

Structure parameters

• Formula: C46 H52 Cl4 Co2 N8 O2
• Calculated formula: C46 H52 Cl4 Co2 N8 O2
• Title of publication: Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion
• Authors of publication: Jacobs, Tia; Barbour, Leonard J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 1
• Pages of publication: 71
• a: 17.232 ± 0.002 Å
• b: 15.471 ± 0.002 Å
• c: 9.473 ± 0.0011 Å
• α: 90°
• β: 114.15 ± 0.002°
• γ: 90°
• Cell volume: 2304.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No