Crystallography Open Database

Information card for entry 7201240

7201239 << 7201240 >> 7201241

Preview

Coordinates	7201240.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N/A
Formula	C11 H17 Cl2 N Ti
Calculated formula	C11 H18 Cl2 N Ti
Title of publication	Catalytic dechlorination of polychlorinated biphenyls (PCBs) using amine functionalised titanocenes
Authors of publication	Fletcher, Andrew E.D.; Hyatt, Jonathan D.; Ok, Kang Min; O'Hare, Dermot
Journal of publication	Green Chemistry
Year of publication	2009
Journal volume	11
Journal issue	9
Pages of publication	1343
a	7.3084 ± 0.0015 Å
b	10.576 ± 0.002 Å
c	8.5363 ± 0.0017 Å
α	90°
β	102.7 ± 0.03°
γ	90°
Cell volume	643.7 ± 0.2 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180343 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/12.	7201240.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201240.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201240.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201240.cif