Crystallography Open Database

Information card for entry 4320175

4320174 << 4320175 >> 4320176

Preview

Coordinates	4320175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H118 N8 O26 S6
Calculated formula	C78 H118 N8 O26 S6
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	13.726 ± 0.002 Å
b	14.99 ± 0.003 Å
c	22.818 ± 0.004 Å
α	79.04 ± 0.02°
β	82.05 ± 0.02°
γ	83.39 ± 0.02°
Cell volume	4545.9 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1807
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.198
Weighted residual factors for all reflections included in the refinement	0.2388
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4320175.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320175.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320175.cif
17074	2011-04-01	../uploads/cif-deposit/cod/cif Adding structures of 4320175 via cif-deposit CGI script.	4320175.cif