Information card for entry 7243277

Structure parameters

• Formula: C20 H16 Cl2 N8 O2 Zn
• Calculated formula: C20 H16 Cl2 N8 O2 Zn
• Title of publication: Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures
• Authors of publication: Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 36
• Pages of publication: 6276 - 6290
• a: 7.5409 ± 0.0007 Å
• b: 11.8032 ± 0.0011 Å
• c: 13.1436 ± 0.0013 Å
• α: 79.856 ± 0.001°
• β: 89.98 ± 0.001°
• γ: 74.499 ± 0.001°
• Cell volume: 1108.35 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No