Crystallography Open Database

Information card for entry 4063643

Preview

Coordinates	4063643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H49 N2 Ni O
Calculated formula	C39 H49 N2 Ni O
Title of publication	Observations and Mechanistic Insights on Unusual Stability of Neutral Nickel Complexes with a Sterically Crowded Metal Center
Authors of publication	Song, Dong-Po; Wang, Yong-Xia; Mu, Hong-Liang; Li, Bai-Xiang; Li, Yue-Sheng
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	5
Pages of publication	925
a	9.2294 ± 0.0008 Å
b	14.2491 ± 0.0012 Å
c	25.643 ± 0.002 Å
α	90°
β	93.497 ± 0.002°
γ	90°
Cell volume	3366 ± 0.5 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	5
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	0.1073
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1616
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
178531 (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 4/06/36.	4063643.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063643.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063643.cif
32635	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4063642, 4063643 via cif-deposit CGI script.	4063643.cif