Crystallography Open Database

Information card for entry 4502220

Preview

Coordinates	4502220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 O29 Pr3 S4
Calculated formula	C28 H28 O28.9 Pr3 S4
Title of publication	Isolated Hexanuclear Hydroxo Lanthanide Secondary Building Units in a Rare-Earth Polymeric Framework Based onp-Sulfonatocalix[4]arene
Authors of publication	Gándara, Felipe; Gutiérrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Monge, M. Ángeles
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	1
Pages of publication	128
a	11.9761 ± 0.0003 Å
b	11.9761 ± 0.0003 Å
c	31.3992 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4503.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179553 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/22.	4502220.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502220.cif
36296	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502220, 4502221, 4502222 via cif-deposit CGI script.	4502220.cif