Crystallography Open Database

Information card for entry 7057216

Preview

Coordinates	7057216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cl2 N4 Ni O8
Calculated formula	C18 H26 Cl2 N4 Ni O8
Title of publication	Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry
Authors of publication	Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	9
Pages of publication	7301
a	15.599 ± 0.006 Å
b	9.111 ± 0.004 Å
c	16.219 ± 0.006 Å
α	90°
β	97.508 ± 0.009°
γ	90°
Cell volume	2285.3 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0673
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230437 (current)	2019-11-17	cif/ Updating files of 7057216, 7057217, 7057218, 7057219 Original log message: Adding full bibliography for 7057216--7057219.cif.	7057216.cif
207144	2018-03-28	cif/ Adding structures of 7057216, 7057217, 7057218, 7057219 via cif-deposit CGI script.	7057216.cif