Crystallography Open Database

Information card for entry 7710113

Preview

Coordinates	7710113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H52 O3 P2 Ru Zn
Calculated formula	C39 H52 O3 P2 Ru Zn
SMILES	[Ru]12([Zn](c3c([P]1(C1CCCCC1)C1CCCCC1)cccc3)c1c([P]2(C2CCCCC2)C2CCCCC2)cccc1)(C#[O])(C#[O])C#[O]
Title of publication	Facile Synthesis and Utilization of Bis(o-phosphinophenyl)zinc as Isolable PZnP-pincer Ligands Enabled by Boron-Zinc Double Transmetallation
Authors of publication	Fukuda, Kazuishi; Harada, Takuma; Iwasawa, Nobuharu; Takaya, Jun
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.5815 ± 0.0002 Å
b	11.4543 ± 0.0001 Å
c	18.0955 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3644.14 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0588
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274648 (current)	2022-04-23	cif/ Adding structures of 7710112, 7710113, 7710114, 7710115, 7710116 via cif-deposit CGI script.	7710113.cif