Crystallography Open Database

Information card for entry 4080474

Preview

Coordinates	4080474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H114 Cl N7 O Si6 Yb2
Calculated formula	C62 H114 Cl N7 O Si6 Yb2
SMILES	[Yb]1(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[N](=C(C)C=C(N1c1cc(ccc1)N1[Yb](N([Si](C)(C)C)[Si](C)(C)C)(Cl)([O]2CCCC2)[N](=C(C=C1C)C)c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Unexpected C‒H Bond Activation Promoted by Bimetallic Lanthanide Amido Complexes Bearing a META-Phenylene-Bridged Bis(β-diketiminate) Ligand
Authors of publication	Sun, Song; Sun, Qiu; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	6
Pages of publication	1876
a	11.505 ± 0.005 Å
b	18.382 ± 0.008 Å
c	19.229 ± 0.008 Å
α	99.74 ± 0.01°
β	96.401 ± 0.007°
γ	106.71 ± 0.009°
Cell volume	3783 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.1509
Residual factor for significantly intense reflections	0.1014
Weighted residual factors for significantly intense reflections	0.2296
Weighted residual factors for all reflections included in the refinement	0.2645
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178693 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/04.	4080474.cif
85935	2013-05-07	cif/ Adding structures of 4080471, 4080472, 4080473, 4080474 via cif-deposit CGI script.	4080474.cif