Crystallography Open Database

Information card for entry 4113969

Preview

Coordinates	4113969.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mo2(DAniF)3]2(mu-2,3-dioxypyrazinate),4(CH2Cl2)
Formula	C98 H100 Cl8 Mo4 N14 O14
Calculated formula	C98 H100 Cl8 Mo4 N14 O14
Title of publication	Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures
Authors of publication	F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	8900 - 8910
a	12.4674 ± 0.0013 Å
b	14.6201 ± 0.0015 Å
c	15.2751 ± 0.0016 Å
α	71.936 ± 0.002°
β	83.479 ± 0.002°
γ	71.188 ± 0.002°
Cell volume	2505.3 ± 0.5 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	0.0689
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
178910 (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 4/11/39.	4113969.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113969.cif
67245	2012-09-20	cif/ Adding structures of 4113969 via cif-deposit CGI script.	4113969.cif