Crystallography Open Database

Information card for entry 4114316

Preview

Coordinates	4114316.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mo2(DAniF)3]2(C16H14N2O2),2(CH2Cl2)
Formula	C108 H108 Cl4 Mo4 N14 O16
Calculated formula	C108.001 H104 Cl3.9992 Mo4 N14 O16
Title of publication	Modifying Electronic Communication in Dimolybdenum Units by Linkage Isomers of Bridged Oxamidate Dianions
Authors of publication	F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	13564 - 13575
a	30.833 ± 0.002 Å
b	12.4356 ± 0.0008 Å
c	28.0484 ± 0.0019 Å
α	90°
β	100.423 ± 0.001°
γ	90°
Cell volume	10577 ± 1.2 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	0.049
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
178914 (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 4/11/43.	4114316.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114316.cif
67613	2012-10-01	cif/ Adding structures of 4114316 via cif-deposit CGI script.	4114316.cif