Information card for entry 4000880

Structure parameters

• Formula: C123 H96 B F4 N9 O4 Pt3 S13
• Calculated formula: C123 H96 B F4 N9 O4 Pt3 S13
• Title of publication: Pt-[NCN] Pincer Conducting Metallopolymers That Display Redox-Attenuated Metal−Ligand Interactions
• Authors of publication: Milum, Kristen M.; Kim, Young Nam; Holliday, Bradley J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 2414
• a: 18.641 ± 0.0002 Å
• b: 19.8492 ± 0.0003 Å
• c: 21.2347 ± 0.0004 Å
• α: 108.682 ± 0.001°
• β: 108.736 ± 0.001°
• γ: 95.74 ± 0.001°
• Cell volume: 6866 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1269
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No