Information card for entry 7134021

Structure parameters

• Formula: C30 H24 Cl2 N6 O10 Zn
• Calculated formula: C30 H24 Cl2 N6 O8 Zn
• Title of publication: Harnessing thermal waste with a poling-free molecular pyroelectric zinc(II) complex.
• Authors of publication: Haldar, Rajashi; Naskar, Sudip; Jana, Bapan; Mandal, Dipankar; Shanmugam, Maheswaran
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 61
• Journal issue: 2
• Pages of publication: 318 - 321
• a: 10.5944 ± 0.0009 Å
• b: 10.5944 ± 0.0009 Å
• c: 16.2218 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1576.8 ± 0.2 ų
• Cell temperature: 400 ± 0.1 K
• Ambient diffraction temperature: 400 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.269
• Weighted residual factors for all reflections included in the refinement: 0.3105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No