Information card for entry 7218835

Structure parameters

• Formula: C24 H27 Cl N3 Na Ni O8
• Calculated formula: C24 H24 Cl N3 Na Ni O8
• SMILES: [C@@H]12[C@H](CCCC1)[N]1=Cc3cccc4c3[O]3[Ni]51[N]2=Cc1cccc2c1[O]5[Na]3([N]#CC)([O]2C)([O]4C)OCl(=O)(=O)=O.[C@H]12[C@@H](CCCC1)[N]1=Cc3cccc4c3[O]3[Ni]51[N]2=Cc1cccc2c1[O]5[Na]3([N]#CC)([O]2C)([O]4C)OCl(=O)(=O)=O
• Title of publication: Syntheses, Structures, Optical Properties and Biological activities of Bimetallic Complexes
• Authors of publication: Nayek, Hari Pada; Mahato, Mamata; Dey, Dhritiman; Pal, Souvik; Saha, Sudeshna; Ghosh, Abhrajyoti; Harms, Klaus
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 11.394 ± 0.013 Å
• b: 29.49 ± 0.04 Å
• c: 9.154 ± 0.01 Å
• α: 90°
• β: 123.07 ± 0.04°
• γ: 90°
• Cell volume: 2578 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No