Information card for entry 7115003

Structure parameters

• Formula: C117 H153.5 F21 N12 O11 P3.5 Pt3
• Calculated formula: C117 H153.5 F21 N12 O11 P3.5 Pt3
• Title of publication: An organometallic polyrotaxane and a new type of polyrotaxane architecture
• Authors of publication: Fraser, Christopher S. A.; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1310
• a: 18.927 ± 0.0004 Å
• b: 19.1763 ± 0.0004 Å
• c: 21.8457 ± 0.0005 Å
• α: 103.335 ± 0.001°
• β: 97.786 ± 0.001°
• γ: 118.221 ± 0.001°
• Cell volume: 6515.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No