Information card for entry 7052987

Structure parameters

• Formula: C46 H52 Cl4 N8 O2 Zn2
• Calculated formula: C46 H52 Cl4 N8 O2 Zn2
• 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: 17.36 ± 0.02 Å
• b: 15.483 ± 0.02 Å
• c: 9.44 ± 0.012 Å
• α: 90°
• β: 113.97 ± 0.02°
• γ: 90°
• Cell volume: 2319 ± 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: 0.1368
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No