Crystallography Open Database

Information card for entry 1559148

Preview

Coordinates	1559148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H10 Cu2 N4 O10
Calculated formula	C24 H10 Cu2 N4 O10
Title of publication	A novel expanded metal-organic framework for balancing volumetric and gravimetric methane storage working capacities.
Authors of publication	Wen, Hui-Min; Shao, Kai; Zhou, Wei; Li, Bin; Chen, Banglin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	86
Pages of publication	13117 - 13120
a	18.3055 ± 0.0004 Å
b	18.3055 ± 0.0004 Å
c	52.0549 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	15106.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0829
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.2673
Weighted residual factors for all reflections included in the refinement	0.2797
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260608 (current)	2021-01-07	cif/ Updating files of 1559148 Original log message: Adding full bibliography for 1559148.cif.	1559148.cif
256634	2020-09-23	cif/ Adding structures of 1559148 via cif-deposit CGI script.	1559148.cif