Crystallography Open Database

Information card for entry 4070675

Preview

Coordinates	4070675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 N2 Ni0.5 O
Calculated formula	C18 H23 N2 Ni0.5 O
Title of publication	Remote Activation of Nickel Complexes by Coordination of B(C6F5)3to an Exocyclic Carbonitrile Functionality
Authors of publication	Boardman, Brycelyn M.; Valderrama, Juan M.; Muñoz, Flor; Wu, Guang; Bazan, Guillermo C.; Rojas, Rene
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1671
a	8.548 ± 0.003 Å
b	9.595 ± 0.003 Å
c	11.491 ± 0.004 Å
α	65.568 ± 0.005°
β	82.827 ± 0.005°
γ	79.743 ± 0.005°
Cell volume	843 ± 0.5 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4070675.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070675.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070675.cif
42637	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070675 via cif-deposit CGI script.	4070675.cif