Crystallography Open Database

Information card for entry 4113712

Preview

Coordinates	4113712.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(dimolybdenum(II)(N,N'-di-p-anisylformamidinate)3) (μ-deca-trans,trans,trans,trans-2,4,6,8-tetraene-1,10-dioate) mono(C~6~H~14~) mono(C~6~H~4~Cl~2~) disolvate
Formula	C112 H116 Cl2 Mo4 N12 O16
Calculated formula	C112 H98 Cl2 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	12.6901 ± 0.001 Å
b	15.0798 ± 0.0012 Å
c	15.4836 ± 0.0012 Å
α	98.081 ± 0.001°
β	105.715 ± 0.001°
γ	104.35 ± 0.001°
Cell volume	2693.9 ± 0.4 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	0.0879
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	4113712.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113712.cif
66983	2012-09-18	cif/ Adding structures of 4113712 via cif-deposit CGI script.	4113712.cif