Crystallography Open Database

Information card for entry 4112798

Preview

Coordinates	4112798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H76 Cl4 N12 O24 Zn4
Calculated formula	C70 H76 Cl4 N12 O24 Zn4
Title of publication	Coordination-Driven Self-Assembly Directs a Single-Crystal-to-Single-Crystal Transformation that Exhibits Photocontrolled Fluorescence
Authors of publication	Giannis S. Papaefstathiou; Zhenming Zhong; Lei Geng; Leonard R. MacGillivray
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	9158 - 9159
a	10.9644 ± 0.0011 Å
b	11.2922 ± 0.0011 Å
c	17.6367 ± 0.0018 Å
α	96.933 ± 0.005°
β	101.342 ± 0.005°
γ	113.218 ± 0.005°
Cell volume	1919.4 ± 0.3 Å³
Cell temperature	190 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178898 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/27.	4112798.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112798.cif
65213	2012-09-05	cif/ Adding structures of 4112798 via cif-deposit CGI script.	4112798.cif