Crystallography Open Database

Information card for entry 7243507

Preview

Coordinates	7243507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 P4 Pd
Calculated formula	C27 H26 P4 Pd
SMILES	[Pd]1([P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)([PH3])[PH3]
Title of publication	The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: an alternative indirect utilization of CO2
Authors of publication	Xia, Shu-Mei; Yang, Zhi-Wen; Yao, Xiang-Yang; Chen, Kai-Hong; Qiu, Li-Qi; He, Liang-Nian
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	20
Pages of publication	8089 - 8095
a	8.4671 ± 0.0005 Å
b	10.5451 ± 0.0006 Å
c	14.4131 ± 0.0007 Å
α	88.379 ± 0.004°
β	80.098 ± 0.004°
γ	73.608 ± 0.005°
Cell volume	1215.92 ± 0.12 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
270457 (current)	2021-11-06	cif/ Updating files of 7243507, 7243508 Original log message: Adding full bibliography for 7243507--7243508.cif.	7243507.cif
269095	2021-09-11	cif/ Adding structures of 7243507, 7243508 via cif-deposit CGI script.	7243507.cif