Information card for entry 7018269

Structure parameters

• Formula: C27 H27 Br2 Cd N5
• Calculated formula: C27 H27 Br2 Cd N5
• Title of publication: Supramolecular isomerism and solvatomorphism in a novel coordination compound.
• Authors of publication: du Plessis, Marike; Barbour, Leonard J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 3895 - 3898
• a: 14.7707 ± 0.0016 Å
• b: 10.721 ± 0.0012 Å
• c: 18.482 ± 0.002 Å
• α: 90°
• β: 111.354 ± 0.001°
• γ: 90°
• Cell volume: 2725.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No