Crystallography Open Database

Information card for entry 7711731

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Coordinates	7711731.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tBu-PNCNP-Pd0OH
Formula	C22 H48 N2 O4 P2 Pd
Calculated formula	C22 H48 N2 O4 P2 Pd
Title of publication	Reactions and catalytic applications of a PNCNP pincer palladium hydride complex
Authors of publication	Chang, Jiarui; Ding, Man; Mao, Jia-Xue; Zhang, Jie; Chen, Xuenian
Journal of publication	Dalton Transactions
Year of publication	2022
a	16.9062 ± 0.0002 Å
b	14.971 ± 0.0002 Å
c	21.5306 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5449.45 ± 0.12 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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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