Crystallography Open Database

Information card for entry 7062836

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Coordinates	7062836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 N7 O4 Zn
Calculated formula	C20 H17 N7 O4 Zn
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	11.121 ± 0.002 Å
b	13.472 ± 0.002 Å
c	13.589 ± 0.003 Å
α	90°
β	95.903 ± 0.006°
γ	90°
Cell volume	2025.1 ± 0.7 Å³
Cell temperature	168.24 K
Ambient diffraction temperature	168.24 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	0.0753
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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