Crystallography Open Database

Information card for entry 4111031

Preview

Coordinates	4111031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H80 Mo2 N4 Si2
Calculated formula	C52 H80 Mo2 N4 Si2
Title of publication	A Three-Coordinate and Quadruply Bonded Mo-Mo Complex
Authors of publication	Yi-Chou Tsai; Yang-Miin Lin; Jen-Shiang K. Yu; Jenn-Kang Hwang
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	13980 - 13981
a	12.237 ± 0.0002 Å
b	18.608 ± 0.0004 Å
c	12.81 ± 0.0003 Å
α	90°
β	115.073 ± 0.001°
γ	90°
Cell volume	2642.05 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1603
Weighted residual factors for all reflections included in the refinement	0.1654
Goodness-of-fit parameter for all reflections included in the refinement	1.224
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
178881 (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 4/11/10.	4111031.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111031.cif
60554	2012-06-15	cif/ Adding structures of 4111031 via cif-deposit CGI script.	4111031.cif