Crystallography Open Database

Information card for entry 4107813

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Coordinates	4107813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H32 Cl2 N2 Pd
Calculated formula	C30.5 H32 Cl2 N2 Pd
Title of publication	Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes
Authors of publication	Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	6848 - 6858
a	21.1294 ± 0.0003 Å
b	17.2169 ± 0.0003 Å
c	8.095 ± 0.0001 Å
α	90°
β	111.126 ± 0.001°
γ	90°
Cell volume	2746.91 ± 0.07 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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