Crystallography Open Database

Information card for entry 7229838

Preview

Coordinates	7229838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H62 Cu3.5 N11 O23
Calculated formula	C90 H62 Cu3.5 N11 O23
Title of publication	Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers
Authors of publication	Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	7
Pages of publication	906
a	10.2513 ± 0.0008 Å
b	14.1783 ± 0.0011 Å
c	27.31 ± 0.002 Å
α	88.503 ± 0.006°
β	85.396 ± 0.006°
γ	84.24 ± 0.007°
Cell volume	3936 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1584
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
229071 (current)	2019-11-17	cif/ Updating files of 7229833, 7229834, 7229835, 7229836, 7229837, 7229838, 7229839 Original log message: Adding full bibliography for 7229833--7229839.cif.	7229838.cif
204612	2017-12-30	cif/ Adding structures of 7229833, 7229834, 7229835, 7229836, 7229837, 7229838, 7229839 via cif-deposit CGI script.	7229838.cif