Crystallography Open Database

Information card for entry 4305947

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Coordinates	4305947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 O8 Zn2
Calculated formula	C16 H8 O8 Zn2
Title of publication	Topology Analysis and Nonlinear-Optical-Active Properties of Luminescent Metal-Organic Framework Materials Based on Zinc/Lead Isophthalates
Authors of publication	Lei Zhang; Ye-Yan Qin; Zhao-Ji Li; Qi-Pu Lin; Jian-Kai Cheng; Jian Zhang; Yuan-Gen Yao
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8286 - 8293
a	9.6432 ± 0.0004 Å
b	9.6432 ± 0.0004 Å
c	32.2446 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2998.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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