Crystallography Open Database

Information card for entry 1570912

Preview

Coordinates	1570912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 Cu N2 O7
Calculated formula	C36 H27 Cu N2 O7
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	18.8531 ± 0.0006 Å
b	25.8032 ± 0.0008 Å
c	17.4503 ± 0.0006 Å
α	90°
β	99.4362 ± 0.0019°
γ	90°
Cell volume	8374.2 ± 0.5 Å³
Cell temperature	191 ± 2 K
Ambient diffraction temperature	191 ± 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	0.1022
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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.	1570912.cif