Information card for entry 4068832

Structure parameters

• Formula: C50 H68 N4 O Sn2 Zr
• Calculated formula: C50 H68 N4 O Sn2 Zr
• SMILES: [Zr]12345678([Sn](c9c(cccc9)CN(C)C)c9c(cccc9)CN(C)C)([Sn](c9c(cccc9)CN(C)C)c9c(cccc9)CN(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81.CCOCC
• Title of publication: Reactions of C,N-chelated Tin(II) and Lead(II) Compounds with Zirconocene Dichloride Derivatives
• Authors of publication: Bareš, Josef; Richard, Philippe; Meunier, Philippe; Pirio, Nadine; Padělková, Zdeňka; Černošek, Zdeněk; Císařová, Ivana; Růžička, Aleš
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3105
• a: 10.5104 ± 0.0006 Å
• b: 11.8483 ± 0.0007 Å
• c: 20.4351 ± 0.0017 Å
• α: 86.818 ± 0.005°
• β: 87.759 ± 0.006°
• γ: 73.511 ± 0.005°
• Cell volume: 2435.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No