Crystallography Open Database

Information card for entry 7058455

Preview

Coordinates	7058455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.75 H58 Cu6 N8 O15.75 S3
Calculated formula	C42.75 H58 Cu6 N8 O15.75 S3
Title of publication	A path to improve proton conductivity: from a 3D hydrogen-bonded organic framework to a 3D copper-organic framework
Authors of publication	Sun, Zhi-Bing; Li, Yi-Lin; Zhang, Zhe-Hua; Li, Zi-Feng; Xiao, Bo; Li, Gang
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	26
Pages of publication	10637
a	21.8459 ± 0.0009 Å
b	19.8487 ± 0.0005 Å
c	25.4804 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	11048.6 ± 0.6 Å³
Cell temperature	116.6 K
Ambient diffraction temperature	116.6 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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