Crystallography Open Database

Information card for entry 4123098

Preview

Coordinates	4123098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.08 H58.22 Fe I0.15 N2 O2 Si2 Y
Calculated formula	C35.0838 H58.2365 Fe I0.1527 N2 O2 Si2 Y
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	9.7595 ± 0.001 Å
b	29.761 ± 0.003 Å
c	12.8474 ± 0.0013 Å
α	90°
β	94.539 ± 0.001°
γ	90°
Cell volume	3719.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.038
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
179032 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/30.	4123098.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.	4123098.cif