Crystallography Open Database

Information card for entry 4519084

4519083 << 4519084 >> 4519085

Preview

Coordinates	4519084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Cu2 N11 O5
Calculated formula	C18 H21 Cu2 N11 O5
Title of publication	A Hydrolytically Stable Cu(II)-Based Metal-Organic Framework with Easily Accessible Ligands for Water Harvesting.
Authors of publication	Wang, Lu; Wang, Kecheng; An, Hao-Tian; Huang, Hongliang; Xie, Lin-Hua; Li, Jian-Rong
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	41
Pages of publication	49509 - 49518
a	15.7354 ± 0.0003 Å
b	15.7354 ± 0.0003 Å
c	22.597 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5595.1 ± 0.2 Å³
Cell temperature	265.94 ± 0.12 K
Ambient diffraction temperature	265.94 ± 0.12 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.198
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation probe	x-ray
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
270224 (current)	2021-11-03	cif/ Adding structures of 4519083, 4519084, 4519085 via cif-deposit CGI script.	4519084.cif