Crystallography Open Database

Information card for entry 7001664

Preview

Coordinates	7001664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H91 N5 Nd O4 Si2
Calculated formula	C57 H84 N5 Nd O4 Si2
Title of publication	Migration of amide to imine group of lanthanide Schiff base complexes: effect of amido group
Authors of publication	Qin, Duwei; Han, Fubin; Yao, Yingming; Zhang, Yong; Shen, Qi
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	28
Pages of publication	5535 - 5541
a	13.739 ± 0.0012 Å
b	16.2325 ± 0.0013 Å
c	29.038 ± 0.003 Å
α	90°
β	103.366 ± 0.001°
γ	90°
Cell volume	6300.6 ± 1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
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	0.051
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179714 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/16.	7001664.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001664.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001664.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001664.cif