Crystallography Open Database

Information card for entry 4108481

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Coordinates	4108481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H31 Cl I4 N6 Pd2
Calculated formula	C32.5 H31 Cl I4 N6 Pd2
Title of publication	1,2,3-Triazolylidenes as Versatile Abnormal Carbene Ligands for Late Transition Metals
Authors of publication	Paulson Mathew; Antonia Neels; Martin Albrecht
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	13534 - 13535
a	11.1392 ± 0.0012 Å
b	12.4523 ± 0.0014 Å
c	15.7097 ± 0.0016 Å
α	93.256 ± 0.013°
β	110.476 ± 0.012°
γ	96.599 ± 0.013°
Cell volume	2016.8 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.1152
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.1989
Weighted residual factors for all reflections included in the refinement	0.2153
Goodness-of-fit parameter for all reflections included in the refinement	0.89
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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