Crystallography Open Database

Information card for entry 1570911

Preview

Coordinates	1570911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H53 Cu1.5 N6 O17.5
Calculated formula	C36 H53 Cu1.5 N6 O17.5
Title of publication	Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.
Authors of publication	Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2024
Journal volume	29
Journal issue	2
Pages of publication	311
a	8.9062 ± 0.0002 Å
b	11.2565 ± 0.0003 Å
c	22.7418 ± 0.0005 Å
α	99.7718 ± 0.0014°
β	94.3827 ± 0.0015°
γ	105.873 ± 0.0014°
Cell volume	2142.95 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1158
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
289669 (current)	2024-02-05	cif/ Adding structures of 1570910, 1570911, 1570912, 1570913, 1570914, 1570915 via cif-deposit CGI script.	1570911.cif