Crystallography Open Database

Information card for entry 4069189

Preview

Coordinates	4069189.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Titanium
Chemical name	Titanium amide chloride
Formula	C12 H36 Cl2 N2 Si4 Ti
Calculated formula	C12 H36 Cl2 N2 Si4 Ti
SMILES	C[Si](C)(C)N([Si](C)(C)C)[Ti](Cl)(Cl)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis and Characterization of Group 4 Amide Chloride and Amide Imide Complexes
Authors of publication	Yu, Xianghua; Chen, Shu-Jian; Wang, Xiaoping; Chen, Xue-Tai; Xue, Zi-Ling
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4269
a	12.562 ± 0.005 Å
b	13.279 ± 0.005 Å
c	14.745 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2459.6 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	0.881
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4069189.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069189.cif
40174	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069189 via cif-deposit CGI script.	4069189.cif