Information card for entry 7225445

Structure parameters

• Formula: C36 H28 N4 Ni P2 S5
• Calculated formula: C36 H28 N4 Ni P2 S5
• 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: 6.8385 ± 0.0002 Å
• b: 12.0415 ± 0.0003 Å
• c: 22.6405 ± 0.0004 Å
• α: 101.922 ± 0.002°
• β: 97.35 ± 0.002°
• γ: 93.086 ± 0.002°
• Cell volume: 1802.95 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No