Crystallography Open Database

Information card for entry 1570914

Preview

Coordinates	1570914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100.5 H104 Cu3 N8 O20.5
Calculated formula	C100.5 H98 Cu3 N8 O20.5
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	20.9682 ± 0.001 Å
b	25.3489 ± 0.0011 Å
c	18.1699 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	9657.7 ± 0.8 Å³
Cell temperature	165 ± 2 K
Ambient diffraction temperature	165 ± 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	0.0664
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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