Information card for entry 7244774

Structure parameters

• Formula: C12.5 H12 Cd N6 O7.5
• Calculated formula: C12.5 H12 Cd N6 O7.5
• Title of publication: Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations
• Authors of publication: Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 13.4405 ± 0.0003 Å
• b: 16.5001 ± 0.0004 Å
• c: 14.9111 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3306.83 ± 0.13 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No