Information card for entry 7702402

Structure parameters

• Common name: [(dmbp)(H2O)NiCl2] . CH3NO2
• Chemical name: Aqua-dichloro(2,2'-dimethyl-4,4'-bipyrimidine)nickel(II) nitromethane (1:1)
• Formula: C11 H15 Cl2 N5 Ni O3
• Calculated formula: C11 H15 Cl2 N5 Ni O3
• Title of publication: Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine †
• Authors of publication: Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 3121
• a: 13.506 ± 0.003 Å
• b: 7.6665 ± 0.001 Å
• c: 15.374 ± 0.003 Å
• α: 90°
• β: 100.69 ± 0.02°
• γ: 90°
• Cell volume: 1564.3 ± 0.5 ų
• Cell temperature: 200 ± 3 K
• Ambient diffraction temperature: 200 ± 3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No