Information card for entry 4311043

Structure parameters

• Chemical name: ([Ni(cyclam)][Ru(NO)(C2O4)Cl3].3H2O)
• Formula: C12 H30 Cl3 N5 Ni O8 Ru
• Calculated formula: C12 H30 Cl3 N5 Ni O8 Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)(N=O)OC(=O)C(=O)O1.[Ni]123[NH]4CCC[NH]3CC[NH]2CCC[NH]1CC4.O.O.O
• Title of publication: Light-Induced Metastable States in Oxalatenitrosylruthenium(II) and Terpyridinenitrosylruthenium(II) Complexes
• Authors of publication: Sylvie Ferlay; Helmut W. Schmalle; Giancarlo Francese; Helen Stoeckli-Evans; Mirco Imlau; Dominik Schaniel; Theo Woike
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3500 - 3506
• a: 9.111 ± 0.002 Å
• b: 10.005 ± 0.002 Å
• c: 15.443 ± 0.003 Å
• α: 89.69 ± 0.03°
• β: 73.22 ± 0.03°
• γ: 64.27 ± 0.03°
• Cell volume: 1202.3 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No