Information card for entry 7004338

Structure parameters

• Formula: C36 H60 Co4 N8 O12 P4
• Calculated formula: C36 H60 Co4 N8 O12 P4
• SMILES: Nc1cccc[n]1[Co]12[O]=P3(C(C)(C)C)O[Co]4([n]5c(cccc5)N)[O]=P(C(C)(C)C)(O[Co]5([n]6c(cccc6)N)[O]=P(C(C)(C)C)(O[Co]([n]6c(cccc6)N)([O]=P(C(C)(C)C)(O1)O5)O3)O4)O2
• Title of publication: Assembling metal phosphonates in the presence of monodentate-terminal and bidentate-bridging pyridine ligands. Use of non-covalent and covalent-coordinate interactions to build polymeric metal‒phosphonate architectures
• Authors of publication: Murugavel, Ramaswamy; Shanmugan, Swaminathan
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 5358 - 5367
• a: 20.1451 ± 0.0004 Å
• b: 20.1451 ± 0.0004 Å
• c: 12.7796 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5186.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No