Crystallography Open Database

Information card for entry 4123296

Preview

Coordinates	4123296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H87 N3 O6 W0.5
Calculated formula	C75 H87 N3 O6 W0.5
Title of publication	Bespoke photoreductants: tungsten arylisocyanides.
Authors of publication	Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	3
Pages of publication	1198 - 1205
a	13.4059 ± 0.0005 Å
b	17.0452 ± 0.0006 Å
c	17.3447 ± 0.0006 Å
α	62.0827 ± 0.0014°
β	82.602 ± 0.0016°
γ	70.1845 ± 0.0015°
Cell volume	3292.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0507
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4123296.cif
130653	2015-02-04	cif/ Updating files of 4123295, 4123296, 4123297, 4123298 Original log message: Adding full bibliography for 4123295--4123298.cif.	4123296.cif
129871	2015-01-17	cif/ Adding structures of 4123296 via cif-deposit CGI script.	4123296.cif