Crystallography Open Database

Information card for entry 8103074

Preview

Coordinates	8103074.cif

Structure parameters

Formula	C41 H30 Dy F9 N2 O6 S3
Calculated formula	C41 H30 Dy F9 N2 O6 S3
Title of publication	Crystal structure of [(R,R)-6,6-dimethyl-3-pyridin-2-yl-5,6,7,8-tetrahydro-5,7-methanoisoquinoline]-tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato]dysprosium(III), Dy(C17H18N2)(C8H4O2SF3)3
Authors of publication	Xi-Li Li; Xiang-Li Feng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	40
a	10.174 ± 0.002 Å
b	19.018 ± 0.004 Å
c	12.037 ± 0.002 Å
α	90°
β	113.742 ± 0.003°
γ	90°
Cell volume	2131.9 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103074.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103074.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103074.cif
28976	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103074 via cif-deposit CGI script.	8103074.cif