Crystallography Open Database

Information card for entry 1568632

Preview

Coordinates	1568632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H35 Cl N5 O4 Pd
Calculated formula	C28 H35 Cl N5 O4 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	11.34 ± 0.001 Å
b	12.2808 ± 0.001 Å
c	20.326 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2830.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1568632.cif
281847	2023-03-14	cif/ Adding structures of 1568629, 1568630, 1568631, 1568632, 1568633 via cif-deposit CGI script.	1568632.cif