Crystallography Open Database

Information card for entry 4507709

Preview

Coordinates	4507709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C220 H288 Gd2 N20 O127 S20
Calculated formula	C220 H180 Gd2 N20 O127 S20
Title of publication	Constructing Multicomponent Materials Involving Inclusion of Mono- and Bis-Imidazolium Cations in Gadolinium(III)-p-sulfonatocalix[5]arene Coordination Networks
Authors of publication	Ling, Irene; Boulos, Ramiz A.; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	2025
a	18.4693 ± 0.0005 Å
b	18.5141 ± 0.0005 Å
c	21.9625 ± 0.0006 Å
α	104.299 ± 0.002°
β	101.711 ± 0.002°
γ	103.672 ± 0.002°
Cell volume	6793.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1992
Residual factor for significantly intense reflections	0.1677
Weighted residual factors for significantly intense reflections	0.3467
Weighted residual factors for all reflections included in the refinement	0.363
Goodness-of-fit parameter for all reflections included in the refinement	1.564
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
179613 (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 4/50/77.	4507709.cif
85639	2013-05-07	cif/ Adding structures of 4507709 via cif-deposit CGI script.	4507709.cif