Crystallography Open Database

Information card for entry 7025511

Preview

Coordinates	7025511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 As Cl4 N3 Ti
Calculated formula	C6 H18 As Cl4 N3 Ti
SMILES	C[N]1(C)[Ti]([N](C)(C)[As]1Cl)(N(C)C)(Cl)(Cl)Cl
Title of publication	Syntheses, X-ray structures and CVD of titanium(IV) arsine complexes.
Authors of publication	Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	22
Pages of publication	5325 - 5331
a	9.5866 ± 0.0016 Å
b	15.623 ± 0.003 Å
c	9.8386 ± 0.0016 Å
α	90°
β	92.562 ± 0.003°
γ	90°
Cell volume	1472.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0347
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
179961 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/55.	7025511.cif
93086	2014-01-12	cif/ Adding structures of 7025509, 7025510, 7025511 via cif-deposit CGI script.	7025511.cif