Crystallography Open Database

Information card for entry 1543394

Preview

Coordinates	1543394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99.6 H100.2 Cl3.2 Mo4 N15 O13
Calculated formula	C99.6 H96.2 Cl3.2 Mo4 N15 O13
Title of publication	Optical Determination of Electron Transfer Dynamics and Kinetics for Asymmetrical [Mo2]‒ph‒[Mo2] Systems
Authors of publication	Yu, Wei Yong; Meng, Miao; Lei, Hao; He, Xue Dan; Liu, Chun Y.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2016
Journal volume	120
Journal issue	23
Pages of publication	12411
a	14.4182 ± 0.0005 Å
b	17.6154 ± 0.0006 Å
c	19.5327 ± 0.0005 Å
α	90°
β	94.294 ± 0.003°
γ	90°
Cell volume	4947 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0912
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
183594 (current)	2016-06-17	cif/ Updating files of 1543392, 1543393, 1543394 Original log message: Adding full bibliography for 1543392--1543394.cif.	1543394.cif
183318	2016-06-11	cif/ Adding structures of 1543392, 1543393, 1543394 via cif-deposit CGI script.	1543394.cif