Crystallography Open Database

Information card for entry 4320176

4320175 << 4320176 >> 4320177

Preview

Coordinates	4320176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H46 N12 O19
Calculated formula	C24 H46 N12 O19
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	13.6738 ± 0.0008 Å
b	8.2208 ± 0.0005 Å
c	15.5074 ± 0.0009 Å
α	90°
β	94.633 ± 0.002°
γ	90°
Cell volume	1737.48 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
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.	4320176.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320176.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320176.cif
17075	2011-04-01	../uploads/cif-deposit/cod/cif Adding structures of 4320176 via cif-deposit CGI script.	4320176.cif