Crystallography Open Database

Information card for entry 7708833

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Coordinates	7708833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 Cl2 N O4
Calculated formula	C23 H31 Cl2 N O4
Title of publication	Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts
Authors of publication	Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.
Journal of publication	Dalton Transactions
Year of publication	2021
a	22.1011 ± 0.0003 Å
b	12.1705 ± 0.0002 Å
c	17.0857 ± 0.0003 Å
α	90°
β	92.134 ± 0.001°
γ	90°
Cell volume	4592.55 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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