Information card for entry 7005995

Structure parameters

• Formula: C102 H96 N6 Ni3 O6
• Calculated formula: C102 H96 N6 Ni3 O6
• SMILES: [O]12c3ccc(C)c4c3C(=[N](c3ccccc3)[Ni]35672[Ni]2891([O]6c1ccc(c6c1C(C[C@@H]6C)=[N]3c1ccccc1)C)([O]1c3ccc(c6c3C(C[C@@H]6C)=[N](c3ccccc3)[Ni]3691([N](=C1c9c([O]23)ccc(c9[C@H](C1)C)C)c1ccccc1)[N](=C1c2c([O]86)ccc(c2[C@H](C1)C)C)c1ccccc1)C)[O]7c1ccc(c2c1C(=[N]5c1ccccc1)C[C@@H]2C)C)C[C@@H]4C
• Title of publication: Polymerization of methyl methacrylate catalyzed by nickel complexes with hydroxyindanone-imine ligands.
• Authors of publication: Tang, Guangrong; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 34
• Pages of publication: 3840 - 3846
• a: 22.826 ± 0.004 Å
• b: 22.826 ± 0.004 Å
• c: 17.511 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7901 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No