Crystallography Open Database

Information card for entry 1575544

Preview

Coordinates	1575544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 Cu2 N2 O14
Calculated formula	C27 H19 Cu2 N2 O14
Title of publication	Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer
Authors of publication	Wang, Anqi; Zheng, Xin; Saito, Yuki; Tateishi, Arata; Huang, Yuan; Kamiya, Yuichi; Sato, Hiroyasu; Kondo, Atsushi; Takahashi, Kiyonori; Nakamura, Takayoshi; Noro, Shin-ichiro
Journal of publication	Chemical Science
Year of publication	2025
a	9.9417 ± 0.0002 Å
b	10.7906 ± 0.0002 Å
c	15.9286 ± 0.0003 Å
α	98.869 ± 0.002°
β	98.98 ± 0.002°
γ	111.275 ± 0.002°
Cell volume	1530.99 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0446
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301914 (current)	2025-08-28	cif/ Adding structures of 1575544, 1575545 via cif-deposit CGI script.	1575544.cif