Information card for entry 7720671

Structure parameters

• Formula: C97 H98 B2 Co N3 O4 P3
• Calculated formula: C97 H98 B2 Co N3 O4 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: 16.1308 ± 0.0001 Å
• b: 18.2809 ± 0.0002 Å
• c: 18.4056 ± 0.0002 Å
• α: 117.714 ± 0.001°
• β: 106.081 ± 0.001°
• γ: 97.395 ± 0.001°
• Cell volume: 4400.22 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0683
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No