Crystallography Open Database

Information card for entry 7212156

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Coordinates	7212156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 N12 O12 S Zn
Calculated formula	C36 H32 N12 O12 S Zn
Title of publication	Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands
Authors of publication	Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	7
Pages of publication	2129
a	13.1181 ± 0.0014 Å
b	23.502 ± 0.002 Å
c	14.1772 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4370.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1672
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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