Information card for entry 4123365

Structure parameters

• Formula: C32 H58 P2 Pt Sn V
• Calculated formula: C32 H58 P2 Pt Sn V
• SMILES: [Pt]1(C23[V]456789%10%11%12([c]%13([cH]7[cH]6[cH]5[cH]4%13)[Sn]1(C(C)(C)C)C(C)(C)C)[CH]2=[CH]8[CH]9=[CH]%10[CH]%11=[CH]3%12)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.
• Authors of publication: Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 4
• Pages of publication: 1492 - 1500
• a: 11.6024 ± 0.0005 Å
• b: 19.1333 ± 0.0009 Å
• c: 15.8714 ± 0.0007 Å
• α: 90°
• β: 102.149 ± 0.002°
• γ: 90°
• Cell volume: 3444.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No