Crystallography Open Database

Information card for entry 7716428

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Coordinates	7716428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H39 B2 F8 N7 O Pd
Calculated formula	C28 H39 B2 F8 N7 O Pd
Title of publication	An N-heterocyclic carbene-based pincer system of palladium and its versatile reactivity under oxidizing conditions.
Authors of publication	Li, Haobin; Zhang, Bo; Feng, Rui; Guo, Shuai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	27
Pages of publication	11470 - 11480
a	17.7077 ± 0.0007 Å
b	19.204 ± 0.0007 Å
c	20.5693 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6994.8 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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