Crystallography Open Database

Information card for entry 4109571

Preview

Coordinates	4109571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H53.5 Cu2 N4 O12.5
Calculated formula	C50.5 H30 Cu2 N4 O12.5
Title of publication	Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers
Authors of publication	Jungseok Heo; You-Moon Jeon; Chad A. Mirkin
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7712 - 7713
a	18.2101 ± 0.0011 Å
b	18.2101 ± 0.0011 Å
c	14.2785 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	4100.5 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.1132
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1474
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109571.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109571.cif
58348	2012-05-28	cif/ Adding structures of 4109571 via cif-deposit CGI script.	4109571.cif