Crystallography Open Database

Information card for entry 4123295

Preview

Coordinates	4123295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H162 N6 O18 W
Calculated formula	C132 H162 N6 O18 W
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	13.6451 ± 0.001 Å
b	20.7417 ± 0.0011 Å
c	21.987 ± 0.0016 Å
α	90°
β	91.886 ± 0.002°
γ	90°
Cell volume	6219.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.1964
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179034 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/32.	4123295.cif
130653	2015-02-04	cif/ Updating files of 4123295, 4123296, 4123297, 4123298 Original log message: Adding full bibliography for 4123295--4123298.cif.	4123295.cif
129870	2015-01-17	cif/ Adding structures of 4123295 via cif-deposit CGI script.	4123295.cif