Crystallography Open Database

Information card for entry 4064495

Preview

Coordinates	4064495.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	in manuscript 18
Formula	C21 H28 Cl2 N3 P Pd
Calculated formula	C21 H28 Cl2 N3 P 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	23.278 ± 0.003 Å
b	12.3004 ± 0.0013 Å
c	18.1142 ± 0.0019 Å
α	90°
β	107.509 ± 0.002°
γ	90°
Cell volume	4946.3 ± 1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0891
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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.	4064495.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064495.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064495.cif
32927	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064492, 4064493, 4064494, 4064495, 4064496 via cif-deposit CGI script.	4064495.cif