Information card for entry 4123362

Structure parameters

• Formula: C20 H28 Sn V
• Calculated formula: C20 H28 Sn V
• SMILES: [V]123456789%10%11[c]%12([Sn](C(C)(C)C)([c]%136[cH]7[cH]8[cH]9[cH]%10[cH]%11%13)C(C)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]5%12
• 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: 12.5094 ± 0.0012 Å
• b: 9.8617 ± 0.0009 Å
• c: 15.3826 ± 0.0015 Å
• α: 90°
• β: 107.849 ± 0.004°
• γ: 90°
• Cell volume: 1806.3 ± 0.3 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0124
• Residual factor for significantly intense reflections: 0.0118
• Weighted residual factors for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.0313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No