Crystallography Open Database

Information card for entry 7062835

Preview

Coordinates	7062835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H49 Br N6 O2 Zn
Calculated formula	C34 H49 Br N6 O2 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	8.5795 ± 0.0009 Å
b	11.9384 ± 0.0012 Å
c	18.0751 ± 0.0017 Å
α	91.334 ± 0.003°
β	97.55 ± 0.004°
γ	107.982 ± 0.003°
Cell volume	1741.6 ± 0.3 Å³
Cell temperature	144.99 K
Ambient diffraction temperature	144.99 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7062835.html