Crystallography Open Database

Information card for entry 4075283

Preview

Coordinates	4075283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 Ni O P2
Calculated formula	C25 H30 Ni O P2
SMILES	[Ni]1(c2c(C(O1)=CC)cccc2)([P](c1ccccc1)(C)C)[P](c1ccccc1)(C)C
Title of publication	Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands†
Authors of publication	Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	13
Pages of publication	3124
a	10.8446 ± 0.0009 Å
b	16.8315 ± 0.0014 Å
c	12.7181 ± 0.0011 Å
α	90°
β	102.542 ± 0.002°
γ	90°
Cell volume	2266 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0512
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
178641 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/52.	4075283.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075283.cif
49156	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075281, 4075282, 4075283 via cif-deposit CGI script.	4075283.cif