Information card for entry 7720674

Structure parameters

• Formula: C97 H98 B2 N3 Ni O4 P3
• Calculated formula: C97 H98 B2 N3 Ni 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: 16.0832 ± 0.0003 Å
• b: 18.3082 ± 0.0003 Å
• c: 18.3795 ± 0.0003 Å
• α: 117.583 ± 0.002°
• β: 97.166 ± 0.001°
• γ: 105.699 ± 0.002°
• Cell volume: 4415.17 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No