Crystallography Open Database

Information card for entry 4329052

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Coordinates	4329052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H56 N14 O97 P2 W24 Zn3
Calculated formula	C70 H56 N14 O97 P2 W24 Zn3
Title of publication	Metal-Organic Frameworks with Phosphotungstate Incorporated for Hydrolytic Cleavage of a DNA-Model Phosphodiester
Authors of publication	Qiuxia Han; Lejie Zhang; Cheng He; Jiangyang Niu; Chunying Duan
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5118 - 5127
a	12.5305 ± 0.0004 Å
b	16.1251 ± 0.0005 Å
c	16.4694 ± 0.0005 Å
α	97.541 ± 0.002°
β	91.323 ± 0.002°
γ	97.644 ± 0.002°
Cell volume	3266.85 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.2087
Weighted residual factors for all reflections included in the refinement	0.2102
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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