Crystallography Open Database

Information card for entry 7029784

Preview

Coordinates	7029784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H76 Cl8 N4 P2 Pd2
Calculated formula	C70 H76 Cl8 N4 P2 Pd2
Title of publication	Dinuclear NHC-palladium complexes containing phosphine spacers: synthesis, X-ray structures and their catalytic activities towards the Hiyama coupling reaction.
Authors of publication	Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	19
Pages of publication	7166 - 7175
a	12.0625 ± 0.0011 Å
b	24.805 ± 0.002 Å
c	13.2469 ± 0.0013 Å
α	90°
β	114.6 ± 0.002°
γ	90°
Cell volume	3603.9 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0695
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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