Information card for entry 7024752

Structure parameters

• Formula: C12 H46 N2 Ni2 O34 Ti2
• Calculated formula: C12 H46 N2 Ni2 O34 Ti2
• SMILES: C1C(O[Ti]234([N]1(CC(=O)O2)CC(=O)O3)(O[Ti]1235([N](CC(O1)=[O][Ni]([OH2])([OH2])([OH2])([OH2])[OH2])(CC(=O)O2)CC(=O)O3)OO5)OO4)=[O][Ni]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O
• Title of publication: Heterobimetallic peroxo-titanium(IV) nitrilotriacetate complexes as single source precursors for preparation of MTiO3 (M = Co, Ni and Zn).
• Authors of publication: Deng, Yuanfu; Lv, Qiying; Wu, Songping; Zhan, Shuzhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2497 - 2503
• a: 15.043 ± 0.003 Å
• b: 13.25 ± 0.003 Å
• c: 17.368 ± 0.004 Å
• α: 90°
• β: 100.92 ± 0.03°
• γ: 90°
• Cell volume: 3399.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No