Crystallography Open Database

Information card for entry 4104397

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Coordinates	4104397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H36 O16 Zn2
Calculated formula	C35 H30 O16 Zn2
Title of publication	A Multifunctional 3D Ferroelectric and NLO-Active Porous Metal-Organic Framework
Authors of publication	Zhengang Guo; Rong Cao; Xin Wang; Hongfang Li; Wenbing Yuan; Guojian Wang; Haohan Wu; Jing Li
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	6894 - 6895
a	18.9594 ± 0.0015 Å
b	18.4485 ± 0.0015 Å
c	13.177 ± 0.004 Å
α	90°
β	104.204 ± 0.003°
γ	90°
Cell volume	4468 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0548
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	0.905
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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