Information card for entry 7003112

Structure parameters

• Formula: C24 H54 N6 O6 Zn2
• Calculated formula: C24 H54 N6 O6 Zn2
• SMILES: C[N]1(C)[Zn]23([N](CC4(C[N](C)(C)[Zn]5([N](CC(C1)(CN(C)C)[O]25)(C)C)([O]34)OC(=O)C)CN(C)C)(C)C)OC(=O)C
• Title of publication: Synthesis and characterisation of new titanium amino-alkoxides: precursors for the formation of TiO2 materials
• Authors of publication: Hollingsworth, Nathan; Kanna, Miki; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Wongnawa, Sumpun
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 631 - 641
• a: 9.6443 ± 0.0003 Å
• b: 16.8905 ± 0.0006 Å
• c: 10.493 ± 0.0004 Å
• α: 90°
• β: 111.741 ± 0.002°
• γ: 90°
• Cell volume: 1587.69 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No