Information card for entry 7000904

Structure parameters

• Common name: 03mma004/39
• Chemical name: 03mma004/39
• Formula: C36 H36 N6 Ni O4 P2 S4
• Calculated formula: C36 H36 N6 Ni O4 P2 S4
• Title of publication: Investigation on the reactivity of dithiophosphonato/dithiophosphato NiII complexes towards 2,4,6-tris-2-pyridyl-1,3,5-triazine: developments and new perspectives
• Authors of publication: Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2510 - 2520
• a: 11.3304 ± 0.0003 Å
• b: 13.1931 ± 0.0003 Å
• c: 14.5372 ± 0.0002 Å
• α: 105.484 ± 0.001°
• β: 101.243 ± 0.001°
• γ: 98.871 ± 0.001°
• Cell volume: 2004.5 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No