Crystallography Open Database

Information card for entry 7720851

7720850 << 7720851 >> 7720852

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Coordinates	7720851.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C106
Chemical name	Pd(BIAN-IPr#)Cl(allyl)
Formula	C110 H87 Cl9 N2 Pd
Calculated formula	C110 H87 Cl9 N2 Pd
Title of publication	A Robust [Pd(BIAN-IPr#)Cl2(H2O)] Catalyst Employing Water as a Disposable Ligand for C–S Cross Coupling of Aryl Chlorides and Thiols
Authors of publication	Quan, Ziyi; Wang, Zheng; Liu, Yaxu; Sun, Yuanchao; Wang, Bo
Journal of publication	Dalton Transactions
Year of publication	2026
a	14.7717 ± 0.0002 Å
b	16.6159 ± 0.0002 Å
c	19.1879 ± 0.0001 Å
α	81.106 ± 0.001°
β	81.039 ± 0.001°
γ	86.818 ± 0.001°
Cell volume	4593.77 ± 0.09 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.1017
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.2833
Weighted residual factors for all reflections included in the refinement	0.2903
Goodness-of-fit parameter for all reflections included in the refinement	1.262
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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