Crystallography Open Database

Information card for entry 7045616

Preview

Coordinates	7045616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H98 B2 Cl6 F8 O4 P2 Pd2
Calculated formula	C66 H98 B2 Cl6 F8 O4 P2 Pd2
Title of publication	Buchwald-Hartwig amination using Pd(i) dimer precatalysts supported by biaryl phosphine ligands.
Authors of publication	Kirlikovali, Kent O.; Cho, Eunho; Downard, Tyler J.; Grigoryan, Lilit; Han, Zheng; Hong, Sooji; Jung, Dahee; Quintana, Jason C.; Reynoso, Vanessa; Ro, Sooihk; Shen, Yi; Swartz, Kevin; Ter Sahakyan, Elizabeth; Wixtrom, Alex I.; Yoshida, Brandon; Rheingold, Arnold L.; Spokoyny, Alexander M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	11
Pages of publication	3684 - 3688
a	21.0268 ± 0.0014 Å
b	16.0162 ± 0.0009 Å
c	21.3417 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	7187.2 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
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	0.0697
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230006 (current)	2019-11-17	cif/ Updating files of 7045616, 7045617, 7045618 Original log message: Adding full bibliography for 7045616--7045618.cif.	7045616.cif
206391	2018-02-13	cif/ Adding structures of 7045616, 7045617, 7045618 via cif-deposit CGI script.	7045616.cif