Crystallography Open Database

Information card for entry 4340960

Preview

Coordinates	4340960.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	eiswe17
Formula	C22 H18 Cl4 Mo N2 S4
Calculated formula	C22 H18 Cl4 Mo N2 S4
Title of publication	Light-driven hydrogen production from aqueous protons using molybdenum catalysts.
Authors of publication	Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	18
Pages of publication	9860 - 9869
a	18.0529 ± 0.001 Å
b	9.0139 ± 0.0005 Å
c	18.1341 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2950.9 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179512 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/09.	4340960.cif
126896	2014-11-12	cif/ Updating files of 4340958, 4340959, 4340960, 4340961, 4340962, 4340963 Original log message: Adding full bibliography for 4340958--4340963.cif.	4340960.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4340960.cif
122572	2014-08-28	cif/ Adding structures of 4340958, 4340959, 4340960, 4340961, 4340962, 4340963 via cif-deposit CGI script.	4340960.cif