Information card for entry 2242200

Structure parameters

• Chemical name: Bis[4'-(furan-2-yl)-2,2':6',2''-terpyridine]nickel(II) dichloride decahydrate
• Formula: C38 H46 Cl2 N6 Ni O12
• Calculated formula: C38 H46 Cl2 N6 Ni O12
• Title of publication: An infinite two-dimensional hybrid water–chloride network in a 4'-(furan-2-yl)-2,2':6',2''-terpyridine nickel(II) matrix
• Authors of publication: Fu, Wei-Wei; Li, Ya-Qian; Liu, Yang; Chen, Man-Sheng; Li, Wei; Yang, Ying-Qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 871 - 875
• a: 10.351 ± 0.007 Å
• b: 11.894 ± 0.008 Å
• c: 19.07 ± 0.013 Å
• α: 76.33 ± 0.01°
• β: 88.582 ± 0.012°
• γ: 67.077 ± 0.011°
• Cell volume: 2095 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes