Crystallography Open Database

Information card for entry 1570915

Preview

Coordinates	1570915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H101 Cu3 N9 O19
Calculated formula	C101 H99 Cu3 N9 O19
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	22.0739 ± 0.0018 Å
b	24.3392 ± 0.0018 Å
c	17.9481 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	9642.8 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1364
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	1570915.cif