Crystallography Open Database

Information card for entry 7012318

Preview

Coordinates	7012318.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	mu-oxo-bis(trichloro(1,4,7,10,13,16-hexaoxacyclooctadecane)titanium(IV)) toluene solvate
Formula	C27.5 H52 Cl6 O13 Ti2
Calculated formula	C27.5 H48 Cl6 O13 Ti2
Title of publication	Crown ether complexes of titanium(iv) chloride and bromide and the structures of the hydrolysis products [Ti2Cl6(µ-O)(18-crown-6)2] and [Ti4Cl8(µ-O)4(15-crown-5)4]
Authors of publication	Levason, William; Popham, Michael C.; Reid, Gillian; Webster, Michael
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	3
Pages of publication	291
a	10.2483 ± 0.0005 Å
b	13.835 ± 0.001 Å
c	14.7207 ± 0.001 Å
α	84.669 ± 0.003°
β	81.909 ± 0.003°
γ	79.892 ± 0.003°
Cell volume	2029.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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 all reflections	0.0415
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7012318.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012318.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012318.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012318.cif