Information card for entry 7113995

Structure parameters

• Common name: Compound 2a
• Formula: C17 H26 F6 N11 O3 P3 Re Sb
• Calculated formula: C17 H26 F6 N11 O3 P3 Re Sb
• SMILES: [Re]12([N]3=P(N=P4(N=P53N(CCN5C)C)N(CCN4C)C)(n3[n]1ccc3)n1[n]2ccc1)(C#[O])(C#[O])C#[O].[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: First rhenium complexes based on cyclotriphosphazene scaffolds with exocyclic pyrazolyl substituentsElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b203254f/
• Authors of publication: Harmjanz, Michael; Scott, Brian L.; Burns, Carol J.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1386
• a: 8.838 ± 0.003 Å
• b: 13.475 ± 0.005 Å
• c: 13.819 ± 0.005 Å
• α: 97.523 ± 0.005°
• β: 108.543 ± 0.005°
• γ: 91.604 ± 0.006°
• Cell volume: 1542.6 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No