Crystallography Open Database

Information card for entry 4304866

Preview

Coordinates	4304866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.5 H78 N6 O2 Si4 Yb2
Calculated formula	C60.5 H78 N6 O2 Si4 Yb2
SMILES	[Yb]123([N](c4c(c5c([O]2[Yb]26([N](c7c(c8c([O]36)cccc8C)c(ccc7)C)=Cc3n2ccc3)N([Si](C)(C)C)[Si](C)(C)C)cccc5C)c(ccc4)C)=Cc2n1ccc2)N([Si](C)(C)C)[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1
Title of publication	Synthesis of Amidolanthanides with New Chiral Biaryl-Based NNO Ligands and Their Use as Catalysts for Enantioselective Hydroamination/Cyclization
Authors of publication	Qiuwen Wang; Li Xiang; Haibin Song; Guofu Zi
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4319 - 4328
a	15.1906 ± 0.0003 Å
b	13.1985 ± 0.0003 Å
c	31.126 ± 0.0008 Å
α	90°
β	92.699 ± 0.002°
γ	90°
Cell volume	6233.6 ± 0.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4304866.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304866.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304866.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304866.cif