Crystallography Open Database

Information card for entry 2202566

2202565 << 2202566 >> 2202567

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Structure factors	2202566.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	cis-Bis[N-(2-chlorobenzoyl)-N',N'-diphenylthioureato]nickel(II) dichloromethane solvate
Formula	C41 H30 Cl4 N4 Ni O2 S2
Calculated formula	C41 H30 Cl4 N4 Ni O2 S2
SMILES	[Ni]12([S]=C(N=C(O1)c1c(Cl)cccc1)N(c1ccccc1)c1ccccc1)[S]=C(N=C(O2)c1c(Cl)cccc1)N(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	<i>cis</i>-Bis[<i>N</i>-(2-chlorobenzoyl)-<i>N</i>',<i>N</i>'-diphenylthioureato]nickel(II) dichloromethane solvate
Authors of publication	Binzet, Gün; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	9
Pages of publication	m705 - m706
a	8.4277 ± 0.0007 Å
b	14.2923 ± 0.0011 Å
c	17.4582 ± 0.0013 Å
α	103.671 ± 0.002°
β	98.23 ± 0.002°
γ	103.877 ± 0.002°
Cell volume	1938.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	0.81
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.