Information card for entry 4070128

Structure parameters

• Formula: C37 H57 Bi N2 O Si2 Zr
• Calculated formula: C37 H57 Bi N2 O Si2 Zr
• SMILES: [Bi]1(N([Si](C)(C)C)c2c3c(N1[Si](C)(C)C)cccc3ccc2)O[Zr]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)C
• Title of publication: Synthesis and Structural Characterization of Heterobimetallic Bismuth Complexes with Main Group and Transition Metals
• Authors of publication: Nekoueishahraki, Bijan; Jana, Anukul; Roesky, Herbert W.; Mishra, Lallan; Stern, Daniel; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5733
• a: 12.364 ± 0.005 Å
• b: 10.377 ± 0.004 Å
• c: 15.826 ± 0.006 Å
• α: 90°
• β: 108.472 ± 0.005°
• γ: 90°
• Cell volume: 1925.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No