Crystallography Open Database

Information card for entry 7127423

Preview

Coordinates	7127423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H52 Ge N2 P2 Pd S2
Calculated formula	C37 H52 Ge N2 P2 Pd S2
SMILES	CC(C)[P]1(C(C)C)Cc2ccc3C(C)(C)c4ccc5C[P](C(C)C)(C(C)C)[Pd]1([Ge](n23)(n45)Sc1ccccc1)Sc1ccccc1
Title of publication	A Z-type PGeP pincer germylene ligand in a T-shaped palladium(0) complex.
Authors of publication	Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	90
Pages of publication	14095 - 14097
a	17.5001 ± 0.0004 Å
b	12.1142 ± 0.0002 Å
c	18.945 ± 0.0004 Å
α	90°
β	114.67 ± 0.001°
γ	90°
Cell volume	3649.75 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.019
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.0418
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260659 (current)	2021-01-07	cif/ Updating files of 7127422, 7127423 Original log message: Adding full bibliography for 7127422--7127423.cif.	7127423.cif
258479	2020-10-20	cif/ Adding structures of 7127422, 7127423 via cif-deposit CGI script.	7127423.cif