Information card for entry 4510583

Structure parameters

• Formula: C135 H181 Cl9 Co9 N36 O9 P3
• Calculated formula: C135 H181 Cl9 Co9 N36 O9 P3
• SMILES: c1cc(ccc1)C.Cc1cc(C)n2[Co]34n5c(cc(C)[n]5[Co]([n]5c(cc(C)[nH]5)C)([n]5c(C)cc(C)n45)OP(=O)(C(Cl)(Cl)Cl)O[Co]4([n]5c(cc(C)[nH]5)C)n5c(cc(C)[n]5[Co]5([n]6c(cc(C)n6[Co]([n]6c(cc(C)[nH]6)C)([n]6c(cc(C)n56)C)OP(=O)(C(Cl)(Cl)Cl)O[Co]5([n]6c(cc(C)[nH]6)C)[n]6c(cc(C)n6[Co]6([n]7c(cc(C)n7[Co]([n]7c(C)cc(C)[nH]7)(n7c(cc(C)[n]67)C)OP(=O)(C(Cl)(Cl)Cl)O[Co](n6c(cc(C)[n]36)C)([n]12)[n]1c(C)cc(C)[nH]1)C)n1c(cc(C)[n]51)C)C)C)[n]1c(cc(C)n41)C)C)C.c1cc(ccc1)C.c1(ccccc1)C.c1(ccccc1)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: A 30-Membered Nonanuclear Cobalt(II) Macrocycle Containing Phosphonate-Bridged Trinuclear Subunits
• Authors of publication: Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2725
• a: 18.446 ± 0.005 Å
• b: 21.371 ± 0.005 Å
• c: 25.362 ± 0.005 Å
• α: 69.974 ± 0.005°
• β: 83.293 ± 0.005°
• γ: 64.7 ± 0.005°
• Cell volume: 8487 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.3158
• Weighted residual factors for all reflections included in the refinement: 0.3387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No