Crystallography Open Database

Information card for entry 4326340

Preview

Coordinates	4326340.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonsk12
Chemical name	Ni(PONOPONOP)
Formula	C26 H42 N2 Ni O4 P2
Calculated formula	C26 H42 N2 Ni O4 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	12.6621 ± 0.0017 Å
b	16.885 ± 0.002 Å
c	25.449 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5441 ± 1.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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.	4326340.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326340.cif
48504	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326340 via cif-deposit CGI script.	4326340.cif