Information card for entry 7115188

Structure parameters

• Formula: C32 H68 N8 Si4 Zr2
• Calculated formula: C32 H68 N8 Si4 Zr2
• SMILES: N([Zr]1(N(C)C)N(c2ccc(cc2)N([Zr](N(c2ccc(cc2)N1[Si](C)(C)C)[Si](C)(C)C)(N(C)C)N(C)C)[Si](C)(C)C)[Si](C)(C)C)(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: 9.005 ± 0.004 Å
• b: 10.128 ± 0.008 Å
• c: 13.168 ± 0.009 Å
• α: 69.17 ± 0.06°
• β: 80.33 ± 0.04°
• γ: 78.63 ± 0.05°
• Cell volume: 1094.1 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.0769
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No