Crystallography Open Database

Information card for entry 4113704

Preview

Coordinates	4113704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H54 Cl Mo2 N6 O8
Calculated formula	C51.5 H46 Cl Mo2 N6 O8
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	10.527 ± 0.002 Å
b	19.057 ± 0.004 Å
c	25.424 ± 0.005 Å
α	101.04 ± 0.03°
β	90.23 ± 0.03°
γ	93.04 ± 0.03°
Cell volume	4998.4 ± 1.8 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	0.0932
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.1908
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	4113704.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113704.cif
66975	2012-09-18	cif/ Adding structures of 4113704 via cif-deposit CGI script.	4113704.cif