Crystallography Open Database

Information card for entry 7057250

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Coordinates	7057250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H62 Cl6 N4 Pd
Calculated formula	C77 H62 Cl6 N4 Pd
Title of publication	Highly active NHC‒Pd(ii) complexes for cross coupling of aryl chlorides and arylboronic acids: an investigation of the effect of remote bulky groups
Authors of publication	Han, Fangwai; Xu, Ying; Zhu, Rongjiao; Liu, Guiyan; Chen, Chen; Wang, Jianhui
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	9
Pages of publication	7422
a	11.0025 ± 0.0008 Å
b	17.0704 ± 0.0012 Å
c	18.8271 ± 0.0013 Å
α	67.686 ± 0.001°
β	87.664 ± 0.001°
γ	87.07 ± 0.002°
Cell volume	3266.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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