Crystallography Open Database

Information card for entry 7015659

Preview

Coordinates	7015659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H168 F18 N4 O38 P4 S14 Tb2
Calculated formula	C134 H156 F18 N4 O38 P4 S14 Tb2
Title of publication	Infinite terbium(III) chains formed from a tetra-phosphorylated resorcinarene cavitand.
Authors of publication	El Moll, Hani; Sémeril, David; Matt, Dominique; Charbonnière, Loïc; Toupet, Loïc
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	17
Pages of publication	4391 - 4393
a	39.209 ± 0.001 Å
b	17.3105 ± 0.0003 Å
c	29.2837 ± 0.0008 Å
α	90°
β	122.977 ± 0.004°
γ	90°
Cell volume	16673.5 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1164
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179860 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56.	7015659.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015659.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015659.cif
21215	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015659 via cif-deposit CGI script.	7015659.cif