Crystallography Open Database

Information card for entry 4507708

Preview

Coordinates	4507708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H115 Gd1.42 N4 O60.5 S10
Calculated formula	C82 H72 Gd1.4186 N4 O60.5 S10
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	33.404 ± 0.002 Å
b	19.1752 ± 0.0007 Å
c	22.1972 ± 0.0011 Å
α	90°
β	122.09 ± 0.008°
γ	90°
Cell volume	12045.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1154
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2241
Weighted residual factors for all reflections included in the refinement	0.2378
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
287892 (current)	2023-11-30	cif/ Corrected the misspelt '_chemical_formula_moiety' data name in entries 2104572, 4079595, 4507708, 7128387, 7225737.	4507708.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4507708.cif
85638	2013-05-07	cif/ Adding structures of 4507708 via cif-deposit CGI script.	4507708.cif