Information card for entry 7203779

Structure parameters

• Formula: C34 H32 N2 Ni O4 P2 S4
• Calculated formula: C34 H32 N2 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: 8.989 ± 0.0012 Å
• b: 9.8015 ± 0.0013 Å
• c: 11.403 ± 0.002 Å
• α: 112.076 ± 0.002°
• β: 94.424 ± 0.002°
• γ: 108.021 ± 0.002°
• Cell volume: 863.8 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No