Crystallography Open Database

Information card for entry 4123100

Preview

Coordinates	4123100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.7 H58.75 Fe I0.05 Lu N2 O2 Si2
Calculated formula	C35.7012 H58.751 Fe I0.0498 Lu N2 O2 Si2
Title of publication	Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.
Authors of publication	Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141208061549006
a	9.7679 ± 0.0012 Å
b	29.678 ± 0.004 Å
c	12.8261 ± 0.0016 Å
α	90°
β	94.391 ± 0.001°
γ	90°
Cell volume	3707.3 ± 0.8 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	8
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	0.0222
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.0413
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4123100.cif
128642	2014-12-13	cif/ Adding structures of 4123093, 4123094, 4123095, 4123096, 4123097, 4123098, 4123099, 4123100, 4123101, 4123102, 4123103, 4123104 via cif-deposit CGI script.	4123100.cif