Crystallography Open Database

Information card for entry 7016576

Preview

Coordinates	7016576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 Li N2 O
Calculated formula	C11 H13 Li N2 O
Title of publication	Rare-earth metal-mediated addition/cyclization of the 2-cyanobenzoamino anion.
Authors of publication	Zhang, Jie; Han, Yanan; Chen, Zhenxia; Zhou, Xigeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	36
Pages of publication	9098 - 9100
a	10.813 ± 0.01 Å
b	8.566 ± 0.008 Å
c	12.667 ± 0.011 Å
α	90°
β	99.228 ± 0.012°
γ	90°
Cell volume	1158.1 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1231
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.2364
Weighted residual factors for all reflections included in the refinement	0.2638
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179869 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/65.	7016576.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016576.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016576.cif
27464	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7016576, 7016577 via cif-deposit CGI script.	7016576.cif