Crystallography Open Database

Information card for entry 4118214

Preview

Coordinates	4118214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26.94 Br0.03 F12 N O3 W
Calculated formula	C27 H26 Br0.03 F12 N O3 W
Title of publication	A New ONO3-Trianionic Pincer-Type Ligand for Generating Highly Nucleophilic Metal-Carbon Multiple Bonds
Authors of publication	Matthew E. O'Reilly; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	11185 - 11195
a	8.5483 ± 0.0003 Å
b	9.4574 ± 0.0003 Å
c	19.5076 ± 0.0006 Å
α	86.891 ± 0.002°
β	82.183 ± 0.002°
γ	70.699 ± 0.002°
Cell volume	1474.54 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
178953 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/82.	4118214.cif
75737	2013-03-13	cif/ Adding structures of 4118214 via cif-deposit CGI script.	4118214.cif