Crystallography Open Database

Information card for entry 1570913

Preview

Coordinates	1570913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Cu4 N4 O16
Calculated formula	C40 H38 Cu4 N4 O16
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	16.5969 ± 0.0004 Å
b	13.9067 ± 0.0004 Å
c	17.611 ± 0.0005 Å
α	90°
β	90.2248 ± 0.0009°
γ	90°
Cell volume	4064.73 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
289669 (current)	2024-02-05	cif/ Adding structures of 1570910, 1570911, 1570912, 1570913, 1570914, 1570915 via cif-deposit CGI script.	1570913.cif