Information card for entry 7720668

Structure parameters

• Formula: C180 H175 B4 Co2 N9 O4 P4
• Calculated formula: C180 H175 B4 Co2 N9 O4 P4
• 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: 13.4741 ± 0.0002 Å
• b: 35.5051 ± 0.0004 Å
• c: 16.4405 ± 0.0002 Å
• α: 90°
• β: 105.937 ± 0.001°
• γ: 90°
• Cell volume: 7562.82 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0807
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No