Crystallography Open Database

Information card for entry 4087589

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Coordinates	4087589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 Cr N O3 Pd
Calculated formula	C21 H21 Cr N O3 Pd
Title of publication	Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation
Authors of publication	Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	12
Pages of publication	3055
a	8.352 ± 0.001 Å
b	9.499 ± 0.001 Å
c	13.15 ± 0.001 Å
α	102.334 ± 0.001°
β	94.604 ± 0.001°
γ	102.481 ± 0.001°
Cell volume	986.32 ± 0.17 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0606
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.208
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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