Information card for entry 7203047

Structure parameters

• Formula: C28 H32 N2 Ni O4 P2 S7
• Calculated formula: C28 H32 N2 Ni O4 P2 S7
• Title of publication: Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide
• 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: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 873
• a: 17.618 ± 0.003 Å
• b: 8.0323 ± 0.0016 Å
• c: 25.068 ± 0.005 Å
• α: 90°
• β: 100.63 ± 0.03°
• γ: 90°
• Cell volume: 3486.6 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.485
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No