Information card for entry 7032025

Structure parameters

• Formula: C21 H24 F6 N7 Ni O6 P
• Calculated formula: C21 H24 F6 N7 Ni O6 P
• SMILES: [Ni]123([N](O)=C(C)c4[n]1cccc4)([N](O)=C(C)c1[n]2cccc1)[N](O)=C(C)c1[n]3cccc1.N(=O)(=O)[O-].[P](F)(F)(F)(F)(F)[F-]
• 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: 13.4305 ± 0.0002 Å
• b: 13.7894 ± 0.0002 Å
• c: 15.9761 ± 0.0002 Å
• α: 90°
• β: 112.968 ± 0.001°
• γ: 90°
• Cell volume: 2724.19 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No