Crystallography Open Database

Information card for entry 7048859

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Coordinates	7048859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 Cl3 Cu2 N9 O14
Calculated formula	C36 H54 Cl3 Cu2 N9.0002 O14.0006
Title of publication	NO<sub>x</sub><sup>-</sup> anion recognition by bimetallic cryptates: selectivity for nitrite over nitrate.
Authors of publication	Chattopadhyay, Taraknath; B S, Anju; Gupta, Shourya; S, Ananya; Bertke, Jeffery A.; Kundu, Subrata
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	21
Pages of publication	7085 - 7089
a	9.9795 ± 0.0005 Å
b	9.9795 ± 0.0005 Å
c	25.6934 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	2216 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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