Information card for entry 4349932

Structure parameters

• Formula: C62 H68 Br2 Mn2 P2
• Calculated formula: C62 H68 Br2 Mn2 P2
• SMILES: [c]123[c]4(CC)[c]([c]5([c]62CC)CC)(CC)[Mn]23456([Br][Mn]34567([c]8([c]4([c]5([c]6([c]78CC)c4ccccc4[P]3(c3ccccc3)c3ccccc3)CC)CC)CC)[Br]2)[P](c2c1cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands
• Authors of publication: Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 428
• a: 12.2781 ± 0.0004 Å
• b: 14.9823 ± 0.0004 Å
• c: 15.6542 ± 0.0005 Å
• α: 90°
• β: 98.494 ± 0.003°
• γ: 90°
• Cell volume: 2848.07 ± 0.15 ų
• Cell temperature: 179.98 ± 0.1 K
• Ambient diffraction temperature: 179.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No