Crystallography Open Database

Information card for entry 7715559

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Coordinates	7715559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 Cl2 N2 O4 P2 Pd2
Calculated formula	C36 H52 Cl2 N2 O4 P2 Pd2
Title of publication	A bis(PCN) palladium pincer complex with a remarkably planar 2,5-diarylpyrazine core.
Authors of publication	Leong, Derek W.; Shao, Yanwu; Ni, Zhen; Bhuvanesh, Nattamai; Ozerov, Oleg V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	15
Pages of publication	6520 - 6523
a	7.792 ± 0.0002 Å
b	10.0383 ± 0.0003 Å
c	12.4545 ± 0.0004 Å
α	102.185 ± 0.001°
β	92.113 ± 0.001°
γ	92.889 ± 0.001°
Cell volume	949.89 ± 0.05 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0181
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0434
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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