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Information card for entry 4323081
Preview
Coordinates | 4323081.cif |
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Original paper (by DOI) | HTML |
Formula | C75 H97 Al F4 O4 Ti4 |
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Calculated formula | C75 H97 Al F4 O4 Ti4 |
Title of publication | Reactions of Organotitanoxane Fluorides with AlR3 (R = Me, Et, CH2Ph) and Me3SiCl: X-ray Crystal Structures of [C5Me5Ti(μ-O)]4F[(μ-F)AlMe3]3, [C5Me5Ti(μ-O)]4F3[(μ-F)Al(CH2Ph)3], [C5Me5Ti(μ-O)Et]4, and (C5Me5)4Ti4O5X2 (X = Cl and F) |
Authors of publication | Peihua Yu; Thomas Pape; Isabel Usón; Musa A. Said; Herbert W. Roesky; Mavis L. Montero; Hans-Georg Schmidt; Alojz Demsar |
Journal of publication | Inorganic Chemistry |
Year of publication | 1998 |
Journal volume | 37 |
Pages of publication | 5117 - 5124 |
a | 14.625 ± 0.003 Å |
b | 14.798 ± 0.003 Å |
c | 17.948 ± 0.004 Å |
α | 67.63 ± 0.01° |
β | 81.61 ± 0.01° |
γ | 89.85 ± 0.02° |
Cell volume | 3547.6 ± 1.3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1013 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1152 |
Weighted residual factors for all reflections included in the refinement | 0.1368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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