Information card for entry 7203781

Structure parameters

• Formula: C30 H32 N6 Ni O4 P2 S4
• Calculated formula: C30 H32 N6 Ni O4 P2 S4
• Title of publication: Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands
• Authors of publication: Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 60
• Pages of publication: 363
• a: 6.9179 ± 0.0009 Å
• b: 10.7325 ± 0.0014 Å
• c: 12.898 ± 0.002 Å
• α: 66.496 ± 0.002°
• β: 86.813 ± 0.002°
• γ: 89.574 ± 0.002°
• Cell volume: 876.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No