Information card for entry 4349928

Structure parameters

• Chemical name: L1MnCl
• Formula: C62 H68 Cl2 Mn2 P2
• Calculated formula: C62 H68 Cl2 Mn2 P2
• SMILES: [c]123[c]4([c]([c]5([c]16CC)CC)(CC)[Mn]13456([P](c3c2cccc3)(c2ccccc2)c2ccccc2)[Cl][Mn]23456([c]7([c]3([c]4([c]5([c]67CC)CC)c3ccccc3[P]2(c2ccccc2)c2ccccc2)CC)CC)[Cl]1)CC
• 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: 12.7602 ± 0.0002 Å
• b: 14.8229 ± 0.0002 Å
• c: 15.1688 ± 0.0002 Å
• α: 90°
• β: 98.822 ± 0.002°
• γ: 90°
• Cell volume: 2835.13 ± 0.07 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No