Crystallography Open Database

Information card for entry 7134320

Preview

Coordinates	7134320.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TPhos Pd G3
Chemical name	(selenocarbamoyl)phosphine Pd G3
Formula	C41 H39 Cl2 N2 O3 P Pd S Se
Calculated formula	C41 H39 Cl2 N2 O3 P Pd S Se
Title of publication	Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.
Authors of publication	Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	26
Pages of publication	4955 - 4958
a	12.1825 ± 0.0005 Å
b	15.409 ± 0.0006 Å
c	21.4921 ± 0.0008 Å
α	90°
β	105.099 ± 0.004°
γ	90°
Cell volume	3895.2 ± 0.3 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
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
298762 (current)	2025-04-05	cif/ Updating files of 7134313, 7134314, 7134315, 7134316, 7134317, 7134318, 7134319, 7134320 Original log message: Adding full bibliography for 7134313--7134320.cif.	7134320.cif
298352	2025-03-11	cif/ Adding structures of 7134313, 7134314, 7134315, 7134316, 7134317, 7134318, 7134319, 7134320 via cif-deposit CGI script.	7134320.cif