Crystallography Open Database

Information card for entry 7708988

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Coordinates	7708988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 Br2 Cl3 N4 Pd
Calculated formula	C23 H29 Br2 Cl3 N4 Pd
Title of publication	Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes
Authors of publication	Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani
Journal of publication	Dalton Transactions
Year of publication	2021
a	10.6178 ± 0.0003 Å
b	11.6652 ± 0.0002 Å
c	11.9931 ± 0.0003 Å
α	90°
β	112.947 ± 0.001°
γ	90°
Cell volume	1367.9 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0259
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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