Crystallography Open Database

Information card for entry 4315750

Preview

Coordinates	4315750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H42 B2 F8 N6 Ni2 S2
Calculated formula	C21 H42 B2 F8 N6 Ni2 S2
Title of publication	Orientation and Stereodynamic Paths of Planar Monodentate Ligands in Square Planar Nickel N2S Complexes
Authors of publication	Roxanne M. Jenkins; Michael L. Singleton; Lauren A. Leamer; Joseph H. Reibenspies; Marcetta Y. Darensbourg
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5503 - 5514
a	10.805 ± 0.005 Å
b	14.125 ± 0.007 Å
c	20.169 ± 0.01 Å
α	90°
β	100.339 ± 0.019°
γ	90°
Cell volume	3028 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.3079
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179237 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/57.	4315750.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315750.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315750.cif
8910	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315750 via cif-deposit CGI script.	4315750.cif