Information card for entry 7114963

Structure parameters

• Formula: C42 H60 Cl4 F12 N8 O4 P2 Pt
• Calculated formula: C42 H60 Cl4 F12 N8 O4 P2 Pt
• SMILES: [Pt]([n]1cccc(c1)C(=O)NCCCC)([n]1cccc(c1)C(=O)NCCCC)([n]1cccc(c1)C(=O)NCCCC)[n]1cccc(c1)C(=O)NCCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl
• Title of publication: Platinum(ii) nicotinamide complexes as receptors for oxo-anions
• Authors of publication: Bondy, Chantelle R.; Loeb, Stephen J.; Gale, Philip A.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 729
• a: 16.2726 ± 0.0004 Å
• b: 8.9587 ± 0.0002 Å
• c: 39.2903 ± 0.0005 Å
• α: 90°
• β: 96.253 ± 0.001°
• γ: 90°
• Cell volume: 5693.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No