Crystallography Open Database

Information card for entry 1561080

Preview

Coordinates	1561080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 Cd N5 O6
Calculated formula	C22 H17 Cd N5 O6
Title of publication	Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers
Authors of publication	Arıcı, Mürsel
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	262
Pages of publication	79 - 86
a	10.3382 ± 0.0002 Å
b	12.2408 ± 0.0003 Å
c	17.3964 ± 0.0004 Å
α	90°
β	103.209 ± 0.001°
γ	90°
Cell volume	2143.23 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.224
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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