Crystallography Open Database

Information card for entry 7062834

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Coordinates	7062834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 N6 O3
Calculated formula	C17 H12 N6 O3
Title of publication	Highly selective solvent free catalysis of CO2 and CS2 fixation under mild conditions using electronically varied zinc complexes
Authors of publication	Barman, Souvik; Bag, Jayanta; Das, Dhiraj; Pal, Kuntal
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	45
Pages of publication	20952 - 20965
a	7.042 ± 0.003 Å
b	9.685 ± 0.004 Å
c	12.244 ± 0.006 Å
α	85.324 ± 0.009°
β	81.659 ± 0.009°
γ	84.984 ± 0.009°
Cell volume	821.1 ± 0.6 Å³
Cell temperature	296 ± 0.2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1564
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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