Crystallography Open Database

Information card for entry 7216674

Preview

Coordinates	7216674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H5 K N4 O10.5 Pr S2
Calculated formula	C8 H5 K N4 O10.5 Pr S2
Title of publication	Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions
Authors of publication	Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	44
Pages of publication	10181
a	18.1389 ± 0.0014 Å
b	8.3629 ± 0.0006 Å
c	20.4829 ± 0.0015 Å
α	90°
β	91.505 ± 0.001°
γ	90°
Cell volume	3106.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0226
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.0446
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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