Crystallography Open Database

Information card for entry 4064942

Preview

Coordinates	4064942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H43 Cl N2 Ni P2
Calculated formula	C19 H43 Cl N2 Ni P2
SMILES	[Ni]12(Cl)[P](N2CCCN[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes
Authors of publication	Gwynne, Erin A.; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	15
Pages of publication	4128
a	11.6462 ± 0.001 Å
b	14.1879 ± 0.0013 Å
c	15.041 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2485.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178543 (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 4/06/49.	4064942.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064942.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064942.cif
33106	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064942 via cif-deposit CGI script.	4064942.cif