Information card for entry 4337326

Structure parameters

• Formula: C110 H176 Co12 O58 P4
• Calculated formula: C110 H176 Co12 O58 P4
• SMILES: C(P12=[O]3[Co]4567[O]8[Co]9%10%11([O](C(=O)O)[Co]%12%138([O]=C(O4)C(C)(C)C)OC(=[O][Co]48%14%15[O](C(=O)O)[Co]%16%17%18%19[O]4[Co]4%20([O]=C(O%16)C(C)(C)C)(OC(=[O]8)C(C)(C)C)[O]8=P(Cc%16ccc(cc%16)C(C)(C)C)([O]%11[Co]%11%16([O]1%10)([O](C(=O)O)[Co]1%10%21%22[O]%11[Co]8([O]=C(O%16)C(C)(C)C)(OC(=[O]1)C(C)(C)C)([O]4=P1(Cc4ccc(cc4)C(C)(C)C)[O]%18[Co]48%11([O](C(=O)O)[Co]%16([O]4[Co]3([O]6C(=O)O)([O]=C(O%16)C(C)(C)C)(OC(=[O]8)C(C)(C)C)[O]7=P(Cc3ccc(cc3)C(C)(C)C)([O]%12%14)[O]%19%11)([O]=C(O%10)C(C)(C)C)([O]2%21)[O]%221)OC(=[O]%17)C(C)(C)C)[O]%20C(=O)O)[O]=C(O9)C(C)(C)C)[O]%13%15)C(C)(C)C)[O]=C(O5)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• Title of publication: High Nuclearity (Octa-, Dodeca-, and Pentadecanuclear) Metal (M = Co(II), Ni(II)) Phosphonate Cages: Synthesis, Structure, and Magnetic Behavior.
• Authors of publication: Sheikh, Javeed Ahmad; Adhikary, Amit; Jena, Himanshu Sekhar; Biswas, Soumava; Konar, Sanjit
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1606 - 1613
• a: 21.5512 ± 0.0018 Å
• b: 21.5512 ± 0.0018 Å
• c: 19.1984 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8916.8 ± 1.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0676
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No