Information card for entry 7040234

Structure parameters

• Formula: C48.5 H58 Br2 Cl3 Cu N3
• Calculated formula: C48.5 H58 Br2 Cl3 Cu N3
• Title of publication: Structural and electronic trends for five coordinate 1(st) row transition metal complexes: Mn(ii) to Zn(ii) captured in a bis(iminopyridine) framework.
• Authors of publication: Jurca, Titel; Ouanounou, Sarah; Shih, Wei-Chih; Ong, Tiow-Gan; Yap, Glenn P. A.; Korobkov, Ilia; Gorelsky, Serge; Richeson, Darrin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14327 - 14334
• a: 15.461 ± 0.009 Å
• b: 20.21 ± 0.006 Å
• c: 17.44 ± 0.005 Å
• α: 90°
• β: 115.478 ± 0.015°
• γ: 90°
• Cell volume: 4919 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1193
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No