Crystallography Open Database

Information card for entry 1568633

Preview

Coordinates	1568633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 Cl N4 Pd
Calculated formula	C26 H33 Cl N4 Pd
Title of publication	C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.
Authors of publication	Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	14
Pages of publication	3800 - 3808
a	8.7777 ± 0.0002 Å
b	30.6361 ± 0.0006 Å
c	9.7205 ± 0.0002 Å
α	90°
β	113.69°
γ	90°
Cell volume	2393.71 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0185
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0431
Weighted residual factors for all reflections included in the refinement	0.0435
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283174 (current)	2023-05-05	cif/ Updating files of 1568629, 1568630, 1568631, 1568632, 1568633 Original log message: Adding full bibliography for 1568629--1568633.cif.	1568633.cif
281847	2023-03-14	cif/ Adding structures of 1568629, 1568630, 1568631, 1568632, 1568633 via cif-deposit CGI script.	1568633.cif