Crystallography Open Database

Information card for entry 4320177

4320176 << 4320177 >> 4320178

Preview

Coordinates	4320177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H54 N6 O17 S3
Calculated formula	C24 H54 N6 O17 S3
Title of publication	Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality
Authors of publication	Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	4710 - 4720
a	10.7345 ± 0.0003 Å
b	29.6422 ± 0.0004 Å
c	5.7286 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1822.81 ± 0.09 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	38
Hermann-Mauguin space group symbol	A m m 2
Hall space group symbol	A 2 -2
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
179304 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/01.	4320177.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320177.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320177.cif
17076	2011-04-01	../uploads/cif-deposit/cod/cif Adding structures of 4320177 via cif-deposit CGI script.	4320177.cif