Information card for entry 7220992

Structure parameters

• Formula: C38 H54 Cl2 Hf2 N4
• Calculated formula: C38 H54 Cl2 Hf2 N4
• SMILES: [c]12([c]3([c]4([Hf]5613(Cl)(N(c1c(cccc1)CN(C)C)[Hf]1378(N5c5c(cccc5)CN(C)C)([c]5([c]1([c]3([c]8([c]75C)C)C)C)C)Cl)[c]4([c]26C)C)C)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: 9.2969 ± 0.0007 Å
• b: 10.357 ± 0.0005 Å
• c: 11.6491 ± 0.0005 Å
• α: 112.212 ± 0.004°
• β: 102.671 ± 0.006°
• γ: 104.562 ± 0.004°
• Cell volume: 941.17 ± 0.11 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: 0.0259
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No