Crystallography Open Database

Information card for entry 4108516

Preview

Coordinates	4108516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H59 Cl4 Cu4 I6 K2 N O8 S2
Calculated formula	C48 H59 Cl4 Cu4 I6 K2 N O8 S2
Title of publication	Networking of Calixcrowns: From Heteronuclear Endo/Exocyclic Coordination Polymers to A Photoluminescence Switch
Authors of publication	Jai Young Lee; Hyun Jee Kim; Jong Hwa Jung; Wonbo Sim; Shim Sung Lee
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	13838 - 13839
a	10.8292 ± 0.0004 Å
b	19.6626 ± 0.0008 Å
c	15.1761 ± 0.0006 Å
α	90°
β	103.504 ± 0.001°
γ	90°
Cell volume	3142.1 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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