Crystallography Open Database

Information card for entry 4322975

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Coordinates	4322975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Cl O Ti
Calculated formula	C22 H32 Cl O Ti
Title of publication	Monocyclopentadienyl-Titanium Aryloxide Sulfide Complexes
Authors of publication	Andrea V. Firth; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	4726 - 4731
a	9.866 ± 0.001 Å
b	10.106 ± 0.001 Å
c	12.227 ± 0.002 Å
α	81.995 ± 0.002°
β	69.531 ± 0.002°
γ	71.627 ± 0.002°
Cell volume	1083.3 ± 0.2 Å³
Cell temperature	273.2 K
Ambient diffraction temperature	273.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.068
Goodness-of-fit parameter for significantly intense reflections	0.65
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
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.	4322975.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322975.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322975.cif
21929	2011-06-30	../uploads/cif-deposit/cod/cif Adding structures of 4322975 via cif-deposit CGI script.	4322975.cif