Information card for entry 1562440

Structure parameters

• Formula: C31 H30 N4 Ni O7 S
• Calculated formula: C31 H30 N4 Ni O7 S
• Title of publication: Mixed ligand coordination polymers with flexible bis-imidazole linker and angular sulfonyldibenzoate: Crystal structure, photoluminescence and photocatalytic activity
• Authors of publication: Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 213
• Pages of publication: 43 - 51
• a: 12.187 ± 0.003 Å
• b: 12.438 ± 0.003 Å
• c: 12.897 ± 0.003 Å
• α: 99.384 ± 0.005°
• β: 110.139 ± 0.004°
• γ: 117.336 ± 0.005°
• Cell volume: 1504.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No