Crystallography Open Database

Information card for entry 7048858

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Coordinates	7048858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 Cl3 N9 O14 Zn2
Calculated formula	C36 H54 Cl3 N9.0002 O14.0006 Zn2
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	9.758 ± 0.002 Å
b	9.758 ± 0.002 Å
c	26.267 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	2166 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1033
Residual factor for significantly intense reflections	0.0961
Weighted residual factors for significantly intense reflections	0.2457
Weighted residual factors for all reflections included in the refinement	0.2518
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	Yes
Has F_obs	No

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