Crystallography Open Database

Information card for entry 1568889

Preview

Coordinates	1568889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 N4 O4 Zn
Calculated formula	C12 H18 N4 O4 Zn
Title of publication	N-Heterocyclic carbene supported zinc catalysed N-formylation of diverse N–H functionalities with carbon dioxide under ambient conditions
Authors of publication	Sahoo, Sangita; Manna, Subarna; Rit, Arnab
Journal of publication	Catalysis Science & Technology
Year of publication	2023
Journal volume	13
Journal issue	11
Pages of publication	3344 - 3350
a	9.374 ± 0.002 Å
b	8.2061 ± 0.0018 Å
c	10.172 ± 0.002 Å
α	90°
β	90.621 ± 0.01°
γ	90°
Cell volume	782.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.238
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284828 (current)	2023-07-05	cif/ Updating files of 1568889 Original log message: Adding full bibliography for 1568889.cif.	1568889.cif
282694	2023-04-19	cif/ Adding structures of 1568889 via cif-deposit CGI script.	1568889.cif