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Information card for entry 4073158
Preview
Coordinates | 4073158.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H55 B9 N4 O S6 Ti |
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Calculated formula | C23 H55 B9 N4 O S6 Ti |
SMILES | [Ti]123(OC[C]456[C]78(C[NH+](CC)CC)[BH]9%10[BH]%11%12%13[H][BH]%13%144[BH]4%156[BH]657[BH]58%10[BH]79%12[BH]%11%144[BH]%15657)([S]=C(S1)N(CC)CC)([S]=C(S2)N(CC)CC)SC(=[S]3)N(CC)CC |
Title of publication | Synthesis, Structure, and Reactivity of [σ:η1:η5-(OCH2)(Me2NCH2)C2B9H9]Ti(NR2) (R = Me, Et) |
Authors of publication | Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 10 |
Pages of publication | 2694 |
a | 16.458 ± 0.003 Å |
b | 14.762 ± 0.003 Å |
c | 17.517 ± 0.003 Å |
α | 90° |
β | 111.771 ± 0.004° |
γ | 90° |
Cell volume | 3952.3 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0792 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1126 |
Weighted residual factors for all reflections included in the refinement | 0.138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4073158.html
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Users of the data should acknowledge the original authors of the
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