Crystallography Open Database

Information card for entry 7716929

Preview

Coordinates	7716929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H37 N3 O S Se
Calculated formula	C45 H37 N3 O S Se
Title of publication	IPr*Thia – wingtip-flexible, sterically hindered, modular, N,C/S,C-chelating thiazole-donor N-heterocyclic carbene ligands
Authors of publication	Podchorodecka, Pamela; Dziuk, Błażej; Junga, Robert; Szostak, Roman; Szostak, Michal; Bisz, Elwira
Journal of publication	Dalton Transactions
Year of publication	2024
Journal volume	53
Journal issue	36
Pages of publication	14975 - 14985
a	20.3298 ± 0.0003 Å
b	10.2556 ± 0.0001 Å
c	20.1417 ± 0.0003 Å
α	90°
β	118.22 ± 0.002°
γ	90°
Cell volume	3700.28 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295258 (current)	2024-10-06	cif/ Updating files of 7716928, 7716929, 7716930, 7716931, 7716932 Original log message: Adding full bibliography for 7716928--7716932.cif.	7716929.cif
294284	2024-08-30	cif/ Adding structures of 7716928, 7716929, 7716930, 7716931, 7716932 via cif-deposit CGI script.	7716929.cif