Information card for entry 8105877

Structure parameters

• Chemical name: diaqua-bis(1,10-phenanthroline)-nickel(II) trifluoroacetate trifluoroacetic acid
• Formula: C30 H21 F9 N4 Ni O8
• Calculated formula: C30 H21 F9 N4 Ni O8
• Title of publication: Crystal structure of diaqua-bis(1,10-phenanthroline κ2 N,N′)nickel(II) trifluoroacetate- trifluoroacetic acid (1/1), C30H21F9N4NiO8
• Authors of publication: Zhang, Lan; Wang, Qiang; Ding, Wu-Xiu; Hao, Hui-Min
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 869 - 871
• a: 10.063 ± 0.0011 Å
• b: 9.625 ± 0.001 Å
• c: 18.196 ± 0.002 Å
• α: 90°
• β: 116.1 ± 0.03°
• γ: 90°
• Cell volume: 1582.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No