Crystallography Open Database

Information card for entry 4111030

Preview

Coordinates	4111030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H80 Cl2 Mo2 N4 Si2
Calculated formula	C52 H80 Cl2 Mo2 N4 Si2
SMILES	c1(c(C(C)C)cccc1C(C)C)N1[Mo]2(Cl)N(c3c(C(C)C)cccc3C(C)C)[Si](N(c3c(C(C)C)cccc3C(C)C)[Mo]2(N(c2c(C(C)C)cccc2C(C)C)[Si]1(C)C)Cl)(C)C
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	28.268 ± 0.0006 Å
b	35.3567 ± 0.001 Å
c	10.8372 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	10831.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
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.	4111030.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111030.cif
60553	2012-06-15	cif/ Adding structures of 4111030 via cif-deposit CGI script.	4111030.cif