Crystallography Open Database

Information card for entry 1570810

Preview

Coordinates	1570810.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-<i>cis</i>-1,2-diphenylethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>':κ<i>S</i>)bis[(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)] dimethylformamide disolvate
Formula	C52 H52 Fe N3 O S4
Calculated formula	C52 H52 Fe N3 O S4
Title of publication	Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′:κS)bis[(cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′)iron(III)] dimethylformamide disolvate
Authors of publication	Selvakumar, Jayaraman; Arumugam, Kuppuswamy
Journal of publication	IUCrData
Year of publication	2023
Journal volume	9
Journal issue	1
Pages of publication	x231083
a	12.4019 ± 0.0014 Å
b	14.8205 ± 0.0019 Å
c	14.9762 ± 0.0018 Å
α	105.936 ± 0.004°
β	113.662 ± 0.003°
γ	94.486 ± 0.004°
Cell volume	2368.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.0731
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1570810.cif
289172	2024-01-20	cif/ Adding structures of 1570810 via cif-deposit CGI script.	1570810.cif