Crystallography Open Database

Information card for entry 7708920

Preview

Coordinates	7708920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 As2 Cl2 O12 Pd
Calculated formula	C48 H54 As2 Cl2 O12 Pd
SMILES	[Pd]([As](c1cc(OC)cc(OC)c1)(c1cc(OC)cc(OC)c1)c1cc(OC)cc(OC)c1)([As](c1cc(OC)cc(OC)c1)(c1cc(OC)cc(OC)c1)c1cc(OC)cc(OC)c1)(Cl)Cl
Title of publication	Tertiary arsine ligands for the Stille coupling reaction.
Authors of publication	Chishiro, Akane; Konishi, Masafumi; Inaba, Ryoto; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	51
Journal issue	1
Pages of publication	95 - 103
a	12.72 ± 0.002 Å
b	22.095 ± 0.004 Å
c	18.916 ± 0.004 Å
α	90°
β	100.014 ± 0.011°
γ	90°
Cell volume	5235.3 ± 1.7 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	6
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	0.0785
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1922
Weighted residual factors for all reflections included in the refinement	0.2223
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272648 (current)	2022-02-04	cif/ Updating files of 7708916, 7708917, 7708918, 7708919, 7708920 Original log message: Adding full bibliography for 7708916--7708920.cif.	7708920.cif
270869	2021-11-25	cif/ Adding structures of 7708916, 7708917, 7708918, 7708919, 7708920 via cif-deposit CGI script.	7708920.cif