Crystallography Open Database

Information card for entry 7128198

Preview

Coordinates	7128198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H68 B Ge P3 Pd
Calculated formula	C84 H68 B Ge P3 Pd
SMILES	[Pd]12([Ge](c3ccccc3)(c3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1c([P]2(c2ccccc2)c2ccccc2)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](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	20.3098 ± 0.0006 Å
b	15.2436 ± 0.0004 Å
c	22.422 ± 0.0007 Å
α	90°
β	104.893 ± 0.0013°
γ	90°
Cell volume	6708.5 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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.	7128198.cif
264339	2021-04-21	cif/ Adding structures of 7128196, 7128197, 7128198, 7128199 via cif-deposit CGI script.	7128198.cif