Crystallography Open Database

Information card for entry 1505765

Preview

Coordinates	1505765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H7 Er F18 O8
Calculated formula	C15 H7 Er F18 O8
SMILES	C1(=CC(C(F)(F)F)=[O][Er]23(O1)(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)([O]=C(C=C(C(F)(F)F)O3)C(F)(F)F)([OH2])[OH2])C(F)(F)F
Title of publication	Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds.
Authors of publication	Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P.
Journal of publication	The journal of physical chemistry. B
Year of publication	2006
Journal volume	110
Journal issue	48
Pages of publication	24476 - 24479
a	9.9059 ± 0.0001 Å
b	11.5257 ± 0.0002 Å
c	12.3039 ± 0.0002 Å
α	67.909 ± 0.001°
β	73.791 ± 0.001°
γ	76.086 ± 0.001°
Cell volume	1235.32 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	1505765.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505765.cif
47714	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505765 via cif-deposit CGI script.	1505765.cif