Crystallography Open Database

Information card for entry 4113703

Preview

Coordinates	4113703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.5 H49 Cl2 Mo2 N7 O6
Calculated formula	C47.5 H49 Cl2 Mo2 N7 O6
Title of publication	Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry
Authors of publication	F. Albert Cotton; James P. Donahue; Carlos A. Murillo
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	5436 - 5450
a	11.4243 ± 0.0019 Å
b	12.827 ± 0.002 Å
c	18.004 ± 0.003 Å
α	78.96 ± 0.003°
β	72.683 ± 0.003°
γ	72.767 ± 0.003°
Cell volume	2390.1 ± 0.7 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
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.	4113703.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113703.cif
66974	2012-09-18	cif/ Adding structures of 4113703 via cif-deposit CGI script.	4113703.cif