Crystallography Open Database

Information card for entry 4003001

Preview

Coordinates	4003001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H7 Cu O7
Calculated formula	C12 H7 Cu O7
Title of publication	Grafting Free Carboxylic Acid Groups onto the Pore Surface of 3D Porous Coordination Polymers for High Proton Conductivity
Authors of publication	Tian, Yuanmeng; Liang, Gan; Fan, Tao; Shang, Jin; Shang, Shanshan; Ma, Yunsheng; Matsuda, Ryotaro; Liu, Mingxian; Wang, Man; Li, Liangchun; Kitagawa, Susumu
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	20
Pages of publication	8494
a	18.6737 ± 0.0004 Å
b	18.6737 ± 0.0004 Å
c	38.3967 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	11595.4 ± 0.5 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1857
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
220424 (current)	2019-10-29	cif/ Adding structures of 4003001 via cif-deposit CGI script.	4003001.cif