Information card for entry 7233302

Structure parameters

• Formula: C44 H32 Cu N10 O6
• Calculated formula: C44 H32 Cu N10 O6
• Title of publication: Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands
• Authors of publication: Weekes, Rohan J.; Hawes, Chris S.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 34
• Pages of publication: 5152
• a: 8.0209 ± 0.0003 Å
• b: 21.4464 ± 0.0006 Å
• c: 11.1543 ± 0.0003 Å
• α: 90°
• β: 98.181 ± 0.001°
• γ: 90°
• Cell volume: 1899.23 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No