Crystallography Open Database

Information card for entry 4112799

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Coordinates	4112799.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	10.7509 ± 0.0011 Å
b	10.9233 ± 0.0011 Å
c	18.558 ± 0.002 Å
α	97.531 ± 0.005°
β	101.758 ± 0.005°
γ	110.933 ± 0.005°
Cell volume	1942.7 ± 0.4 Å³
Cell temperature	293 ± 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	0.0459
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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