Crystallography Open Database

Information card for entry 7025509

Preview

Coordinates	7025509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 As Cl4 Ti
Calculated formula	C18 H15 As Cl4 Ti
SMILES	c1(ccccc1)[As](c1ccccc1)(c1ccccc1)[Ti](Cl)(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	9.5026 ± 0.0019 Å
b	11.324 ± 0.002 Å
c	18.683 ± 0.004 Å
α	90°
β	92.501 ± 0.004°
γ	90°
Cell volume	2008.5 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1013
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1496
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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.	7025509.cif
93086	2014-01-12	cif/ Adding structures of 7025509, 7025510, 7025511 via cif-deposit CGI script.	7025509.cif