Crystallography Open Database

Information card for entry 7115231

Preview

Coordinates	7115231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H72 F9 N8 O17 S3 Yb
Calculated formula	C51.024 H72 F9 N8 O17 S3 Yb
Title of publication	Direct NMR and luminescence observation of water exchange at cationic ytterbium and europium centres
Authors of publication	Batsanov, Andrei S.; Beeby, Andrew; Bruce, James I.; Howard, Judith A. K.; Kenwright, Alan M.; Parker, David
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	11
Pages of publication	1011
a	14.39 ± 0.001 Å
b	11.928 ± 0.001 Å
c	19.3 ± 0.001 Å
α	90°
β	102.67 ± 0.01°
γ	90°
Cell volume	3232.1 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0232
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
180266 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/52.	7115231.cif
120155	2014-07-12	cif/ Adding structures of 7115231 via cif-deposit CGI script.	7115231.cif