Crystallography Open Database

Information card for entry 4115475

Preview

Coordinates	4115475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cl0.5 K0.5 Mo O8
Calculated formula	C14 H6 Cl0.5 K0.5 Mo O8
Title of publication	Quadruply Bonded Dimolybdenum Atoms Surrounded by Dendrons: Preparation, Characterization, and Electrochemistry
Authors of publication	Teerayuth Liwporncharoenvong; Rudy L. Luck
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	3615 - 3616
a	13.06 ± 0.003 Å
b	19.961 ± 0.006 Å
c	19.985 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5210 ± 3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	22
Hermann-Mauguin space group symbol	F 2 2 2
Hall space group symbol	F 2 2
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2367
Weighted residual factors for all reflections included in the refinement	0.2517
Goodness-of-fit parameter for all reflections included in the refinement	1.212
Diffraction radiation probe	x-ray
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.	4115475.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115475.cif
69028	2012-11-30	cif/ Adding structures of 4115475 via cif-deposit CGI script.	4115475.cif