Crystallography Open Database

Information card for entry 7057056

Preview

Coordinates	7057056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Cl F6 N4 P Pd
Calculated formula	C21 H18 Cl F6 N4 P Pd
Title of publication	Facile one-pot nanocatalysts encapsulation of palladium‒NHC complexes for aqueous Suzuki‒Miyaura couplings
Authors of publication	Chen, Chao; Zheng, Qing; Ni, Shengliang; Wang, Hangxiang
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	6
Pages of publication	4624
a	9.5629 ± 0.0005 Å
b	26.8142 ± 0.0009 Å
c	10.2793 ± 0.0004 Å
α	90°
β	116.742 ± 0.006°
γ	90°
Cell volume	2353.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1105
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	No
Has F_obs	No

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