Crystallography Open Database

Information card for entry 7224779

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Structure parameters

Formula	C20 H15 Cu N4 O4
Calculated formula	C20 H15 Cu N4 O4
Title of publication	Engineering the proton conductivity of metal–organic hybrid materials by varying the coordination mode of the ligand
Authors of publication	Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	18
Pages of publication	3300
a	24.513 ± 0.005 Å
b	18.922 ± 0.004 Å
c	17.238 ± 0.003 Å
α	90°
β	119.74 ± 0.03°
γ	90°
Cell volume	6942 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.073
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224779.cif
182637	2016-05-06	cif/ Updating files of 7224779, 7224780 Original log message: Adding full bibliography for 7224779--7224780.cif.	7224779.cif
180697	2016-04-02	cif/ Adding structures of 7224779, 7224780 via cif-deposit CGI script.	7224779.cif