Crystallography Open Database

Information card for entry 4064943

Preview

Coordinates	4064943.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](NCC2CN[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	11.8428 ± 0.0008 Å
b	14.4447 ± 0.0009 Å
c	14.7145 ± 0.0011 Å
α	90°
β	103.688 ± 0.004°
γ	90°
Cell volume	2445.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4064943.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064943.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064943.cif
33107	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064943 via cif-deposit CGI script.	4064943.cif