Crystallography Open Database

Information card for entry 4320178

4320177 << 4320178 >> 4320179

Preview

Coordinates	4320178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H79.27 N8 O12.64
Calculated formula	C36 H79.27 N8 O12.635
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	10.6236 ± 0.0009 Å
b	18.5875 ± 0.0015 Å
c	23.978 ± 0.002 Å
α	90°
β	100.325 ± 0.002°
γ	90°
Cell volume	4658.2 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	4320178.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320178.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320178.cif
17077	2011-04-01	../uploads/cif-deposit/cod/cif Adding structures of 4320178 via cif-deposit CGI script.	4320178.cif