Information card for entry 4349929

Structure parameters

• Chemical name: K(18-C-6)MnCl2
• Formula: C45 H63 Cl2 K Mn O6.5 P
• Calculated formula: C45 H63 Cl2 K Mn O6.5 P
• SMILES: [Mn]123456([Cl][K]789%10%11([Cl]1)[O]1CC[O]%10CC[O]9CC[O]%11CC[O]8CC[O]7CC1)[P](c1ccccc1)(c1c([c]73[c]4([c]2([c]6([c]57CC)CC)CC)CC)cccc1)c1ccccc1.O(CC)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: 12.836 ± 0.0002 Å
• b: 17.5755 ± 0.0003 Å
• c: 21.942 ± 0.0004 Å
• α: 90°
• β: 106.264 ± 0.002°
• γ: 90°
• Cell volume: 4752 ± 0.15 ų
• Cell temperature: 179.9 ± 0.3 K
• Ambient diffraction temperature: 179.9 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No