Crystallography Open Database

Information card for entry 1568717

Preview

Coordinates	1568717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 Cl6 P2 Pd Si
Calculated formula	C42 H38 Cl6 P2 Pd Si
SMILES	[Pd]1(Cl)(Cl)[P](c2c3[Si]4(CCc3ccc2)c2c([P]1(c1ccccc1)c1ccccc1)cccc2CC4)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
Title of publication	Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.
Authors of publication	Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	17
Pages of publication	4641 - 4646
a	9.9943 ± 0.0014 Å
b	20.42 ± 0.003 Å
c	20.447 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4172.9 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284209 (current)	2023-06-05	cif/ Updating files of 1568716, 1568717 Original log message: Adding full bibliography for 1568716--1568717.cif.	1568717.cif
282091	2023-03-29	cif/ Adding structures of 1568716, 1568717 via cif-deposit CGI script.	1568717.cif