Crystallography Open Database

Information card for entry 7041506

Preview

Coordinates	7041506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 F6 Ir N O2 S Sb
Calculated formula	C20 H27 F6 Ir N O2 S Sb
SMILES	[Ir]123456([S](C[C@H]([NH2]2)C(=O)O1)Cc1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[Sb](F)(F)(F)(F)(F)[F-]
Title of publication	Half-sandwich complexes of iridium and ruthenium containing cysteine-derived ligands.
Authors of publication	Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Cativiela, Carlos; López, José A; Carmona, Daniel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	3
Pages of publication	962 - 976
a	8.613 ± 0.0004 Å
b	14.4059 ± 0.0006 Å
c	19.2824 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2392.52 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0139
Residual factor for significantly intense reflections	0.0137
Weighted residual factors for significantly intense reflections	0.0336
Weighted residual factors for all reflections included in the refinement	0.0337
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
191639 (current)	2017-02-04	cif/ Updating files of 7041506 Original log message: Adding full bibliography for 7041506.cif.	7041506.cif
189259	2016-12-20	cif/ Adding structures of 7041506 via cif-deposit CGI script.	7041506.cif