Crystallography Open Database

Information card for entry 4064496

Preview

Coordinates	4064496.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	in supporting information
Formula	C31 H45 Cl2 N3 Pd
Calculated formula	C31 H45 Cl2 N3 Pd
Title of publication	From Isonitriles to Carbenes: Synthesis of New NAC− and NHC−Palladium(II) Compounds and Their Catalytic Activity
Authors of publication	Hashmi, A. Stephen K.; Lothschütz, Christian; Böhling, Constantin; Rominger, Frank
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	8
Pages of publication	2411
a	15.4116 ± 0.0001 Å
b	9.7659 ± 0.0002 Å
c	21.3609 ± 0.0003 Å
α	90°
β	96.713 ± 0.001°
γ	90°
Cell volume	3192.95 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178538 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/44.	4064496.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064496.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064496.cif
32927	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064492, 4064493, 4064494, 4064495, 4064496 via cif-deposit CGI script.	4064496.cif