Crystallography Open Database

Information card for entry 7214096

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Coordinates	7214096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H40 Cu1.5 N6 O33 S4
Calculated formula	C58 H40 Cu1.5 N6 O33 S4
Title of publication	Constructing porous MOF based on the assembly of layer framework and p-sulfonatocalix[4]arene nanocapsule with proton-conductive property
Authors of publication	Zheng, Guo-Li; Yang, Guo-Cheng; Song, Shu-Yan; Song, Xue-Zhi; Zhang, Hong-Jie
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	1
Pages of publication	64
a	17.0111 ± 0.0011 Å
b	17.6763 ± 0.0012 Å
c	20.7596 ± 0.0015 Å
α	70.129 ± 0.001°
β	70.393 ± 0.001°
γ	89.545 ± 0.001°
Cell volume	5490.4 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1306
Residual factor for significantly intense reflections	0.0929
Weighted residual factors for significantly intense reflections	0.2537
Weighted residual factors for all reflections included in the refinement	0.2774
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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