Information card for entry 7225446

Structure parameters

• Chemical name: 2007slh0908/189
• Formula: C28 H28 N4 Ni O4 P2 S5
• Calculated formula: C28 H28 N3.984 Ni O4 P2 S5.016
• Title of publication: Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering
• Authors of publication: Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 30
• Pages of publication: 5620
• a: 12.8213 ± 0.0003 Å
• b: 7.2342 ± 0.0002 Å
• c: 19.1246 ± 0.0003 Å
• α: 90°
• β: 106.186 ± 0.001°
• γ: 90°
• Cell volume: 1703.53 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No