Crystallography Open Database

Information card for entry 7052421

Preview

Coordinates	7052421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H110 N2 O14 Si2 Ti2
Calculated formula	C46 H110 N2 O14 Si2 Ti2
SMILES	C(O[Ti]1([NH2]CCC[Si](OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)(OC(C)C)[O](CC)[Ti]([NH2]CCC[Si](OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)(OC(C)C)([O]1CC)OC(C)C)(C)C
Title of publication	Amine adducts of titanium tetraalkoxides
Authors of publication	Fric, Helmut; Schubert, Ulrich
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	1
Pages of publication	232
a	9.394 ± 0.006 Å
b	12.441 ± 0.009 Å
c	14.435 ± 0.009 Å
α	100.633 ± 0.014°
β	95.931 ± 0.016°
γ	111.947 ± 0.012°
Cell volume	1510.2 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.2755
Residual factor for significantly intense reflections	0.1158
Weighted residual factors for significantly intense reflections	0.2523
Weighted residual factors for all reflections included in the refinement	0.291
Goodness-of-fit parameter for all reflections included in the refinement	0.829
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7052421.html