Crystallography Open Database

Information card for entry 1570389

Preview

Coordinates	1570389.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PW6
Formula	C21 H45 Br N O P Pd
Calculated formula	C21 H45 Br N O P Pd
Title of publication	Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.
Authors of publication	Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	48
Pages of publication	14217 - 14228
a	31.4611 ± 0.0009 Å
b	8.1772 ± 0.0002 Å
c	23.0772 ± 0.0006 Å
α	90°
β	124.577 ± 0.0009°
γ	90°
Cell volume	4888.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0442
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
288754 (current)	2024-01-06	cif/ Updating files of 1570385, 1570386, 1570387, 1570388, 1570389, 1570390 Original log message: Adding full bibliography for 1570385--1570390.cif.	1570389.cif
287844	2023-11-29	cif/ Adding structures of 1570385, 1570386, 1570387, 1570388, 1570389, 1570390 via cif-deposit CGI script.	1570389.cif