Crystallography Open Database

Information card for entry 4083290

Preview

Coordinates	4083290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 Cl Ni P2
Calculated formula	C26 H38 Cl Ni P2
SMILES	[Ni]123([CH](=[CH]3c3c([P]2(C(C)C)C(C)C)cccc3)c2c([P]1(C(C)C)C(C)C)cccc2)Cl
Title of publication	Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone
Authors of publication	Barrett, Brittany J.; Iluc, Vlad M.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	10
Pages of publication	2565
a	9.4899 ± 0.0009 Å
b	20.45 ± 0.002 Å
c	13.074 ± 0.0013 Å
α	90°
β	92.696 ± 0.002°
γ	90°
Cell volume	2534.4 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
178721 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32.	4083290.cif
115877	2014-06-05	cif/ Updating files of 4083285, 4083286, 4083287, 4083288, 4083289, 4083290, 4083291, 4083292, 4083293 Original log message: Adding full bibliography for 4083285--4083293.cif.	4083290.cif
113766	2014-05-14	cif/ Adding structures of 4083285, 4083286, 4083287, 4083288, 4083289, 4083290, 4083291, 4083292, 4083293 via cif-deposit CGI script.	4083290.cif