Information card for entry 7203046

Structure parameters

• Formula: C26 H28 N2 Ni O4 P2 S6
• Calculated formula: C26 H28 N2 Ni O4 P2 S6
• 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: 14.3232 ± 0.0008 Å
• b: 18.5768 ± 0.0012 Å
• c: 12.4832 ± 0.0008 Å
• α: 90°
• β: 111.061 ± 0.004°
• γ: 90°
• Cell volume: 3099.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No