Crystallography Open Database

Information card for entry 7057252

Preview

Coordinates	7057252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H92 Br6 Cl4 N6 Pd2
Calculated formula	C118 H92 Br6 Cl4 N6 Pd2
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	9.2472 ± 0.0004 Å
b	31.4274 ± 0.0013 Å
c	17.7065 ± 0.0008 Å
α	90°
β	97.359 ± 0.001°
γ	90°
Cell volume	5103.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.158
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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