Information card for entry 7032026

Structure parameters

• Formula: C28 H36 F2 N8 Ni2 O12 P2
• Calculated formula: C28 H36 F2 N8 Ni2 O12 P2
• SMILES: FP1(=O)O[Ni]23([N](=C(C)c4cccc[n]34)O)([N](=C(C)c3[n]2cccc3)O)OP(=O)(F)O[Ni]23([N](=C(C)c4cccc[n]24)O)([N](=C(C)c2[n]3cccc2)O)O1.O.O
• Title of publication: Unexpected metal ion-assisted transformations leading to unexplored bridging ligands in Ni(II) coordination chemistry: the case of PO3F(2-) group.
• Authors of publication: Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Stamatatos, Theocharis C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14520 - 14524
• a: 10.3339 ± 0.0001 Å
• b: 12.97 ± 0.0001 Å
• c: 13.7335 ± 0.0002 Å
• α: 90°
• β: 104.312 ± 0.001°
• γ: 90°
• Cell volume: 1783.58 ± 0.03 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No