Information card for entry 7115187

Structure parameters

• Formula: C32 H68 N8 Si4 Zr2
• Calculated formula: C32 H68 N8 Si4 Zr2
• SMILES: c12cc(ccc2)N([Si](C)(C)C)[Zr](N(c2cc(ccc2)N([Zr](N1[Si](C)(C)C)(N(C)C)N(C)C)[Si](C)(C)C)[Si](C)(C)C)(N(C)C)N(C)C
• Title of publication: meta- and para-Bis[zirconyl(IV)amino]cyclophanes; 1,3- or 1,4-C6H4[N(SiMe3)]2 as bridging ligands†
• Authors of publication: Daniele, Stephane; Hitchcock, Peter B.; Lappert, Michael F.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1909
• a: 14.234 ± 0.002 Å
• b: 17.771 ± 0.004 Å
• c: 18.86 ± 0.004 Å
• α: 90°
• β: 109.55 ± 0.02°
• γ: 90°
• Cell volume: 4495.7 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.0718
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No