Crystallography Open Database

Information card for entry 4115419

Preview

Coordinates	4115419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 Cl Cu3 N13 O14
Calculated formula	C24 H18 Cl Cu3 N13.02 O12.04
Title of publication	Cooperative Guest Inclusion by a Zeolite Analogue Coordination Polymer. Sorption Behavior with Gases and Amine and Group 1 Metal Salts
Authors of publication	Leandro C. Tabares; Jorge A. R. Navarro; Juan M. Salas
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	383 - 387
a	15.76 ± 0.0003 Å
b	15.76 ± 0.0003 Å
c	15.76 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3914.43 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	224
Hermann-Mauguin space group symbol	P n -3 m :2
Hall space group symbol	-P 4bc 2bc 3
Residual factor for all reflections	0.1114
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1911
Weighted residual factors for all reflections included in the refinement	0.2233
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
178925 (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 4/11/54.	4115419.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115419.cif
68934	2012-11-27	cif/ Adding structures of 4115419 via cif-deposit CGI script.	4115419.cif