Crystallography Open Database

Information card for entry 7059699

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Coordinates	7059699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Cl3 N3 Pd
Calculated formula	C46 H62 Cl3 N3 Pd
Title of publication	Sterically enriched bulky 1,3-bis(N,N′-aralkyl)benzimidazolium based Pd-PEPPSI complexes for Buchwald‒Hartwig amination reactions
Authors of publication	Reddy, Motakatla Venkata Krishna; Anusha, Gokanapalli; Reddy, Peddiahgari Vasu Govardhana
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	27
Pages of publication	11694 - 11703
a	18.9613 ± 0.0009 Å
b	9.3523 ± 0.0004 Å
c	26.6508 ± 0.0012 Å
α	90°
β	91.116 ± 0.002°
γ	90°
Cell volume	4725.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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