Information card for entry 7703387

Structure parameters

• Formula: C21 H18 Br2 Mn N4 O
• Calculated formula: C21 H18 Br2 Mn N4 O
• Title of publication: 1-D manganese(ii)-terpyridine coordination polymers as precatalysts for hydrofunctionalisation of carbonyl compounds.
• Authors of publication: Zhang, Guoqi; Zeng, Haisu; Li, Sihan; Johnson, Jahvon; Mo, Zixuan; Neary, Michelle C.; Zheng, Shengping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2610 - 2615
• a: 8.8113 ± 0.0002 Å
• b: 10.2327 ± 0.0003 Å
• c: 11.4867 ± 0.0003 Å
• α: 95.176 ± 0.001°
• β: 91.449 ± 0.001°
• γ: 94.407 ± 0.001°
• Cell volume: 1027.87 ± 0.05 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No