Crystallography Open Database

Information card for entry 8101908

8101907 << 8101908 >> 8101909

Preview

Coordinates	8101908.cif

Structure parameters

Chemical name	trans-bis(triphenylphospine oxide)tetrachlorotitanum(IV)
Formula	C36 H30 Cl4 O2 P2 Ti
Calculated formula	C36 H30 Cl4 O2 P2 Ti
Title of publication	Crystal structure of trans-bis(triphenylphospine oxide)-tetrachlorotitanum (IV), TiCl~4~[(C~6~H~5~)~3~PO]~2~
Authors of publication	Li, M.-F.; Shan, Y.-K.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	1
Pages of publication	41 - 42
a	9.492 ± 0.0013 Å
b	9.6398 ± 0.0013 Å
c	10.4285 ± 0.0013 Å
α	102.1 ± 0.002°
β	108.657 ± 0.002°
γ	92.652 ± 0.002°
Cell volume	877.3 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8101908.cif
107946	2014-03-25	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101908.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101908.cif
12647	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8101908 via cif-deposit CGI script.	8101908.cif