Crystallography Open Database

Information card for entry 4069188

Preview

Coordinates	4069188.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Titanium
Chemical name	Titanium Imido Amide
Formula	C22 H66 N6 Si6 Ti2
Calculated formula	C22 H66 N6 Si6 Ti2
SMILES	C[Si](C)(C)N1[Ti](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Ti]1(N(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(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	22.2 ± 0.018 Å
b	9.243 ± 0.007 Å
c	19.248 ± 0.016 Å
α	90°
β	93.399 ± 0.014°
γ	90°
Cell volume	3943 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	0.75
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
178580 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/91.	4069188.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069188.cif
40173	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069188 via cif-deposit CGI script.	4069188.cif