Crystallography Open Database

Information card for entry 7128196

Preview

Coordinates	7128196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 F Ge P3 Pd
Calculated formula	C72 H60 F Ge P3 Pd
SMILES	[Pd]12([Ge](F)(c3ccccc3)(c3ccccc3[P]2(c2ccccc2)c2ccccc2)c2ccccc2[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Pd/Ni-Catalyzed Germa-Suzuki coupling <i>via</i> dual Ge-F bond activation.
Authors of publication	Kameo, Hajime; Mushiake, Akihiro; Isasa, Tomohito; Matsuzaka, Hiroyuki; Bourissou, Didier
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	41
Pages of publication	5004 - 5007
a	13.3586 ± 0.0012 Å
b	14.0431 ± 0.0016 Å
c	16.711 ± 0.002 Å
α	109.543 ± 0.005°
β	96.454 ± 0.002°
γ	98.884 ± 0.003°
Cell volume	2873.2 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265851 (current)	2021-06-05	cif/ Updating files of 7128196, 7128197, 7128198, 7128199 Original log message: Adding full bibliography for 7128196--7128199.cif.	7128196.cif
264339	2021-04-21	cif/ Adding structures of 7128196, 7128197, 7128198, 7128199 via cif-deposit CGI script.	7128196.cif