Crystallography Open Database

Information card for entry 7029879

Preview

Coordinates	7029879.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(trop)2W(CO)(MeN=CH(tol))
Formula	C100 H94 N4 O21 W4
Calculated formula	C100 H94 N4 O21 W4
Title of publication	Bis-tropolonate complexes of tungsten: scaffolds for selective side-on binding of nitriles, imines and ketones.
Authors of publication	Becica, Joseph; Jackson, Andrew B.; Dougherty, William G.; Kassel, W. Scott; West, Nathan M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	23
Pages of publication	8738 - 8748
a	36.265 ± 0.007 Å
b	14.093 ± 0.003 Å
c	19.302 ± 0.004 Å
α	90°
β	110.04 ± 0.03°
γ	90°
Cell volume	9268 ± 4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
180004 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/98.	7029879.cif
116271	2014-06-07	cif/ Updating files of 7029877, 7029878, 7029879 Original log message: Adding full bibliography for 7029877--7029879.cif.	7029879.cif
110142	2014-04-18	cif/ Adding structures of 7029877, 7029878, 7029879 via cif-deposit CGI script.	7029879.cif