Crystallography Open Database

Information card for entry 4113967

Preview

Coordinates	4113967.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mo2(DAniF)3]2(mu-cyanurateH),C6H5Cl,Et2O
Formula	C103 H106 Cl Mo4 N15 O16
Calculated formula	C103 H106 Cl Mo4 N15 O16
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	30.021 ± 0.002 Å
b	11.8606 ± 0.0009 Å
c	56.867 ± 0.004 Å
α	90°
β	94.857 ± 0.001°
γ	90°
Cell volume	20176 ± 2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	4113967.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113967.cif
67243	2012-09-20	cif/ Adding structures of 4113967 via cif-deposit CGI script.	4113967.cif