Information card for entry 7220997

Structure parameters

• Formula: C36 H50 Cl2 N4 Zr2
• Calculated formula: C36 H50 Cl2 N4 Zr2
• SMILES: [Zr]123456(N(c7c(cccc7)C[N]1(C)C)[Zr]1789%10(Cl)(N2c2c(C[N]1(C)C)cccc2)[cH]1[c]7([c]9([c]%10([c]81C)C)C)C)(Cl)[c]1([cH]3[c]5(C)[c]4([c]61C)C)C
• Title of publication: Mixed Amido-cyclopentadienyl Group 4 Metal Complexes
• Authors of publication: Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.796 ± 0.0011 Å
• b: 11.405 ± 0.002 Å
• c: 14.398 ± 0.003 Å
• α: 90.892 ± 0.013°
• β: 90.032 ± 0.011°
• γ: 105.131 ± 0.012°
• Cell volume: 1711.1 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.1125
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No