Information card for entry 7720673

Structure parameters

• Formula: C91 H89 B2 N5 O2 P2 Zn
• Calculated formula: C91 H89 B2 N5 O2 P2 Zn
• 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: 13.382 ± 0.0002 Å
• b: 35.6112 ± 0.0006 Å
• c: 16.4596 ± 0.0003 Å
• α: 90°
• β: 106.049 ± 0.002°
• γ: 90°
• Cell volume: 7538.1 ± 0.2 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: 0.085
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No