Crystallography Open Database

Information card for entry 4346009

Preview

Coordinates	4346009.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mo2(C15H15N2O2)2]2(OCH3)4PF6, 2CH2Cl2
Formula	C66 H76 Cl4 F6 Mo4 N8 O12 P
Calculated formula	C66 H76 Cl4 F6 Mo4 N8 O12 P
Title of publication	Transition from a Nonbonding to a Bonding Interaction in a Tetranuclear [Mo2]2(mu-OR)4 Cluster
Authors of publication	F. Albert Cotton; Zhong Li; Chun Y. Liu; Carlos A. Murillo; Qinliang Zhao
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	6387 - 6395
a	10.067 ± 0.002 Å
b	12.042 ± 0.003 Å
c	15.385 ± 0.003 Å
α	89.052 ± 0.004°
β	78.797 ± 0.004°
γ	82.177 ± 0.004°
Cell volume	1812.4 ± 0.7 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
231124 (current)	2019-11-21	cif/ Adding structures of 4346008, 4346009, 4346010, 4346011 via cif-deposit CGI script.	4346009.cif