Information card for entry 7228793

Structure parameters

• Formula: C17 H21 Cl5 Cu2 N8 O2
• Calculated formula: C17 H21 Cl5 Cu2 N8 O2
• Title of publication: N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies
• Authors of publication: Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 12.7021 ± 0.0005 Å
• b: 14.1024 ± 0.0007 Å
• c: 15.562 ± 0.0008 Å
• α: 90°
• β: 109.43 ± 0.001°
• γ: 90°
• Cell volume: 2628.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0228
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No