Crystallography Open Database

Information card for entry 4112289

Preview

Coordinates	4112289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H64 N25 Na3 O38 Zn6
Calculated formula	C24.08 H48 N25 Na3 O37.98 Zn6
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	28.9736 ± 0.0012 Å
b	28.9736 ± 0.0012 Å
c	28.9736 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	24322.5 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	566 ± 2 K
Number of distinct elements	6
Space group number	228
Hermann-Mauguin space group symbol	F d -3 c :2
Hall space group symbol	-F 4ud 2vw 3
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	4112289.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112289.cif
64660	2012-08-22	cif/ Adding structures of 4112289 via cif-deposit CGI script.	4112289.cif