Crystallography Open Database

Information card for entry 4123093

Preview

Coordinates	4123093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H96 Fe2 N4 O2 Sc2 Si4
Calculated formula	C52 H96 Fe2 N4 O2 Sc2 Si4
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	12.729 ± 0.006 Å
b	14.432 ± 0.007 Å
c	17.929 ± 0.008 Å
α	89.22 ± 0.005°
β	72.659 ± 0.006°
γ	76.126 ± 0.006°
Cell volume	3046 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1165
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.242
Weighted residual factors for all reflections included in the refinement	0.258
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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.	4123093.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.	4123093.cif