Crystallography Open Database

Information card for entry 4114313

Preview

Coordinates	4114313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H48 Mo2 N6 O8
Calculated formula	C47 H48 Mo2 N6 O8
SMILES	[Mo]1234[Mo](N(C=[N]1c1ccc(OC)cc1)c1ccc(OC)cc1)(N(C=[N]2c1ccc(OC)cc1)c1ccc(OC)cc1)(N(C=[N]3c1ccc(OC)cc1)c1ccc(OC)cc1)[O]=C(O4)C
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	9.938 ± 0.001 Å
b	41.791 ± 0.004 Å
c	10.8866 ± 0.0011 Å
α	90°
β	95.386 ± 0.002°
γ	90°
Cell volume	4501.4 ± 0.8 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4114313.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114313.cif
67610	2012-10-01	cif/ Adding structures of 4114313 via cif-deposit CGI script.	4114313.cif