Information card for entry 7134020

Structure parameters

• Formula: C30 H24 Cl2 N6 O8 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: 17.5478 ± 0.0006 Å
• b: 10.837 ± 0.0004 Å
• c: 16.1007 ± 0.0005 Å
• α: 90°
• β: 91.106 ± 0.003°
• γ: 90°
• Cell volume: 3061.23 ± 0.18 ų
• Cell temperature: 340 ± 0.1 K
• Ambient diffraction temperature: 340 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No