Crystallography Open Database

Information card for entry 7711338

Preview

Coordinates	7711338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H56 Cl2 N P Pd
Calculated formula	C41 H56 Cl2 N P Pd
SMILES	[Pd]([P](c1c(cccc1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C)(Cl)(Cl)[n]1ccccc1
Title of publication	LPdCl2(amine) Complexes Supported by Terphenyl Phosphanes: Applications in Aryl Amination Reactions
Authors of publication	Santamaría, Nazaret; Velasco, Clara; Marín, Mario; Maya, Celia; Nicasio, M. Carmen
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.1723 ± 0.0005 Å
b	11.691 ± 0.0008 Å
c	18.9911 ± 0.0013 Å
α	97.274 ± 0.002°
β	97.47 ± 0.002°
γ	102.579 ± 0.002°
Cell volume	1945.3 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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