Crystallography Open Database

Information card for entry 4113711

Preview

Coordinates	4113711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C113 H122 Mo2 N12 O16
Calculated formula	C114 H104 Mo4 N12 O16
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	12.7103 ± 0.0009 Å
b	14.3171 ± 0.001 Å
c	15.6948 ± 0.0011 Å
α	103.172 ± 0.001°
β	103.952 ± 0.001°
γ	99.55 ± 0.001°
Cell volume	2624.1 ± 0.3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1751
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
178908 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/37.	4113711.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113711.cif
66982	2012-09-18	cif/ Adding structures of 4113711 via cif-deposit CGI script.	4113711.cif