Crystallography Open Database

Information card for entry 1512651

Preview

Coordinates	1512651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H11 F18 N4 O6 Sm
Calculated formula	C21 H11 F18 N4 O6 Sm
SMILES	C(C1=[O][Sm]23(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)(OC(=C1)C(F)(F)F)([n]1ccc[nH]1)[n]1ccc[nH]1)(F)(F)F
Title of publication	Synthesis and luminescence study of a highly volatile Sm(III) complex
Authors of publication	Zubair Ahmed; Wakeel Ahmed Dar; K. Iftikhar
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	446 - 453
a	9.014 ± 0.002 Å
b	22.338 ± 0.005 Å
c	15.946 ± 0.004 Å
α	90°
β	97.45 ± 0.004°
γ	90°
Cell volume	3183.7 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0624
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.257
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
176729 (current)	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 1.	1512651.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512651.cif
89907	2013-11-15	cif/ Adding structures of 1512651 via cif-deposit CGI script.	1512651.cif