Crystallography Open Database

Information card for entry 4067784

Preview

Coordinates	4067784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H12 Fe S2
Calculated formula	C23 H12 Fe S2
Title of publication	Tetrathia[7]helicene-Based Complexes of Ferrocene and (η5-Cyclohexadienyl)tricarbonylmanganese: Synthesis and Electrochemical Studies
Authors of publication	Rose-Munch, Françoise; Li, Ming; Rose, Eric; Daran, Jean Claude; Bossi, Alberto; Licandro, Emanuela; Mussini, Patrizia Romana
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	92
a	16.8995 ± 0.0004 Å
b	9.7167 ± 0.0003 Å
c	20.6494 ± 0.0005 Å
α	90°
β	90.286 ± 0.002°
γ	90°
Cell volume	3390.74 ± 0.16 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4067784.html