Crystallography Open Database

Information card for entry 7238744

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Coordinates	7238744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H54 N2 O5 P2 Pd2
Calculated formula	C53 H54 N2 O5 P2 Pd2
Title of publication	New phospha-palladacycles: efficient catalysts in the formylation of aryl chlorides
Authors of publication	Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Tyagi, Kriti; Kapdi, Anant
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	32
Pages of publication	12237
a	13.2632 ± 0.001 Å
b	13.7584 ± 0.001 Å
c	15.903 ± 0.0012 Å
α	102.994 ± 0.001°
β	92.461 ± 0.001°
γ	113.432 ± 0.001°
Cell volume	2565.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0562
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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