Information card for entry 2009354

Structure parameters

• Chemical name: tris(1,10-phenanthroline)nickel(II) nitrate thiourea solvate
• Formula: C37 H30 N10 Ni O7 S
• Calculated formula: C37 H30 N10 Ni O7 S
• SMILES: c1ccc2c3[n]1[Ni]14([n]5cccc(c35)cc2)([n]2cccc3ccc5ccc[n]4c5c23)[n]2cccc3ccc4ccc[n]1c4c23.C(=S)(N)N.N(=O)(=O)[O-].O.N(=O)(=O)[O-]
• Title of publication: Tris(1,10-phenanthroline)nickel(II) dinitrate thiourea monohydrate
• Authors of publication: Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 1991 - 1993
• a: 11.2528 ± 0.0016 Å
• b: 25.346 ± 0.002 Å
• c: 13.0637 ± 0.0015 Å
• α: 90°
• β: 106.117 ± 0.009°
• γ: 90°
• Cell volume: 3579.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No