Information card for entry 7223782

Structure parameters

• Formula: C51 H121 Mn13 O57 P11
• Calculated formula: C51 H121 Mn13 O57 P11
• SMILES: C(C)(C)(C)P12=[O][Mn]3456[O]7P8(C(C)(C)C)=[O][Mn]9%10(OP%11(=[O][Mn]%12%137(O1)[O]3[Mn]13[O]%12[Mn]7%12%14([O]%13P%13(C(C)(C)C)=[O][Mn]%15%16([O]%12C)([O]%14[Mn]%12%14%17([O]7P(C(C)(C)C)(O9)=[O][Mn]7(OP(C(C)(C)C)(O%12)=[O][Mn]9%12%18([O]%14P(O%15)(C(C)(C)C)=[O][Mn]%14%15(O[Mn](O2)(O%13)([OH]C)[O]=P(C(C)(C)C)(O%15)[O]5[Mn]25([O]39)([O]%18P(C(C)(C)C)(=[O][Mn]([O]4C)([O]2C)([O]65)(O8)[O]=P(C(C)(C)C)(O)O)O7)[O]=P(O%12)(C(C)(C)C)O%14)[OH2])[O]1%17)(O%10)[OH]C)[O]%16C)[O]=P(O)(O)C(C)(C)C)O%11)C(C)(C)C)O.CO.CO.CO.O.O.O.O.O
• Title of publication: Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures
• Authors of publication: Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 45
• Pages of publication: 8736
• a: 15.3067 ± 0.0001 Å
• b: 16.8196 ± 0.0005 Å
• c: 24.5506 ± 0.0009 Å
• α: 87.508 ± 0.007°
• β: 80.791 ± 0.006°
• γ: 70.565 ± 0.005°
• Cell volume: 5883.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No