Information card for entry 7715572

Structure parameters

• Formula: C44 H86 Co6 N6 O16
• Calculated formula: C44 H86 Co6 N6 O16
• SMILES: C1C[N]2(CCCC2)[Co]23([O]1[Co]1456[N]7(CC[O]85[Co]59%10([N]%11(CC[O]49[Co]4([N]9(CC[O]54)CCCC9)([O]=C(C)O2)[O]31)CCCC%11)[O]1CC[N]2(CCCC2)[Co]21([O]%10[Co]18([N]3(CC[O]61)CCCC3)[O]=C(C)O2)OC(=O)C)CCCC7)OC(=O)C
• Title of publication: Synthesis, polymorphism, and shape complementarity-induced co-crystallization of hexanuclear Co(II) clusters capped by a flexible heteroligand shell.
• Authors of publication: Terlecki, Michał; Kornowicz, Arkadiusz; Sacharczuk, Kornel; Justyniak, Iwona; Lewiński, Janusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 7012 - 7022
• a: 12.6327 ± 0.0003 Å
• b: 15.366 ± 0.0003 Å
• c: 27.9274 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5421.1 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No