Crystallography Open Database

Information card for entry 4326336

Preview

Coordinates	4326336.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonsk03_4a
Chemical name	(H-PONOP)NiCl
Formula	C21 H40 Cl N Ni O2 P2
Calculated formula	C21 H40 Cl N Ni O2 P2
Title of publication	Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes
Authors of publication	Sabuj Kundu; William W. Brennessel; William D. Jones
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9443 - 9453
a	8.3879 ± 0.0016 Å
b	11.824 ± 0.002 Å
c	13.358 ± 0.003 Å
α	99.784 ± 0.004°
β	95.584 ± 0.004°
γ	103.959 ± 0.004°
Cell volume	1253.7 ± 0.4 Å³
Cell temperature	173 ± 0.5 K
Ambient diffraction temperature	173 ± 0.5 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
179366 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63.	4326336.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326336.cif
48500	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326336 via cif-deposit CGI script.	4326336.cif