Crystallography Open Database

Information card for entry 7057253

Preview

Coordinates	7057253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.2 H36.8 Cl4 N2.4 Pd0.8
Calculated formula	C47.2 H36.8 Cl4 N2.4 Pd0.8
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	9.1629 ± 0.0005 Å
b	31.1003 ± 0.0017 Å
c	17.7075 ± 0.0009 Å
α	90°
β	97.492 ± 0.001°
γ	90°
Cell volume	5003 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0962
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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