Information card for entry 7012828

Structure parameters

• Formula: C23.5 H29 F12 N5 O1.5 P2 Zn
• Calculated formula: C23 H27 F12 N5 O P2 Zn
• SMILES: [Zn]1234[N](Cc5[n]1c(ccc5)NC(=[O]2)C(C)(C)C)(Cc1[n]3cccc1)Cc1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Internal hydrogen bonding and amide co-ordination in zinc(II) complexes of a tripodal N4 ligand: structural, spectroscopic and reactivity studies
• Authors of publication: Juan C. Mareque Rivas; Rafael Torres Martín de Rosales; Simon Parsons
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2156 - 2163
• a: 14.424 ± 0.002 Å
• b: 11.3946 ± 0.0019 Å
• c: 19.42 ± 0.002 Å
• α: 90°
• β: 106.072 ± 0.011°
• γ: 90°
• Cell volume: 3067 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No