Information card for entry 4349933

Structure parameters

• Chemical name: Mn(L1)2
• Formula: C62 H68 Mn P2
• Calculated formula: C62 H68 Mn P2
• SMILES: [c]12([c]3([c]4([c]5([c]1(CC)[Mn]16782345[c]2([c]1([c]6([c]7([c]82CC)CC)CC)CC)c1c(cccc1)P(c1ccccc1)c1ccccc1)CC)CC)CC)c1c(cccc1)P(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: 13.5013 ± 0.0002 Å
• b: 13.5013 ± 0.0002 Å
• c: 27.8106 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5069.5 ± 0.2 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No