Information card for entry 7248579

Structure parameters

• Formula: C50 H63 Cd N5 O5
• Calculated formula: C50 H63 Cd N5 O5
• Title of publication: Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand
• Authors of publication: Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 3077 - 3087
• a: 10.0955 ± 0.0004 Å
• b: 40.9697 ± 0.0015 Å
• c: 11.4889 ± 0.0004 Å
• α: 90°
• β: 98.139 ± 0.001°
• γ: 90°
• Cell volume: 4704.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No