Crystallography Open Database

Information card for entry 4112283

Preview

Coordinates	4112283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H66 Ca6 K3 N25 O39
Calculated formula	C24.14 H48 Ca6 K3 N25 O39
Title of publication	Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology
Authors of publication	Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	2894 - 2904
a	14.8173 ± 0.0014 Å
b	14.8173 ± 0.0014 Å
c	14.8173 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3253.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1734
Weighted residual factors for all reflections included in the refinement	0.1745
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178893 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/22.	4112283.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112283.cif
64654	2012-08-22	cif/ Adding structures of 4112283 via cif-deposit CGI script.	4112283.cif