Information card for entry 7720669

Structure parameters

• Formula: C62 H79 Co N6 O11 P3
• Calculated formula: C54 H59 Co N6 O9 P3
• Title of publication: Transition metal complexes with phosphine oxide appended aza-macrocycles – effects of ring size and denticity
• Authors of publication: Herniman, Julie; Keeling, George; King, Rhys P.; Kandathil-Sintho, Navya; Light, Mark E.; Snowsill, Kate; Reid, Gillian
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 12.9014 ± 0.0003 Å
• b: 19.0597 ± 0.0003 Å
• c: 24.0169 ± 0.0005 Å
• α: 90°
• β: 90.483 ± 0.002°
• γ: 90°
• Cell volume: 5905.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.2546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0468
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No