Crystallography Open Database

Information card for entry 7011522

Preview

Coordinates	7011522.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis-2-(η^5^-Dicyclopentadienylchlorotitanium(IV))bis(oxyphenylisocyanide) tetracarbonylchromium(0)
Formula	C28 H18 Cr N2 O6 Ti
Calculated formula	C28 H18 Cr N2 O6 Ti
Title of publication	Mono- and bi-dentate Group 6-coordinated and titanium-containing isocyanide ligands prepared from benzoxazole
Authors of publication	An, Jin; van Niekerk, Lizette; Esterhuysen, Catharine; Raubenheimer, Helgard G.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	11
Pages of publication	2386
a	11.9512 ± 0.0001 Å
b	14.8432 ± 0.0002 Å
c	15.7525 ± 0.0002 Å
α	90°
β	111.644 ± 0.0007°
γ	90°
Cell volume	2597.39 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0565
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
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.	7011522.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011522.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011522.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011522.cif