Information card for entry 7035120

Structure parameters

• Formula: C72 H96 N4 O8 Zr2
• Calculated formula: C72 H96 N4 O8 Zr2
• SMILES: c12c(cc(cc1C=[N]1Cc3cccc(c3)C[N]3=Cc4c(O[Zr]53([N](=Cc3c(c(cc(c3)C)C(C)(C)C)O5)Cc3cccc(C[N]5[Zr]1(Oc1c(C(C)(C)C)cc(cc1C=5)C)(OCC)(OCC)O2)c3)(OCC)OCC)c(cc(c4)C)C(C)(C)C)C)C(C)(C)C
• Title of publication: Synthesis and characterization of group 4 metal alkoxide complexes containing imine based bis-bidentate ligands: effective catalysts for the ring opening polymerization of lactides, epoxides and polymerization of ethylene.
• Authors of publication: Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10352 - 10367
• a: 11.0938 ± 0.0012 Å
• b: 14.2299 ± 0.0019 Å
• c: 14.4174 ± 0.0019 Å
• α: 68.24 ± 0.006°
• β: 88.659 ± 0.006°
• γ: 82.273 ± 0.006°
• Cell volume: 2093.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No