Crystallography Open Database

Information card for entry 4083174

Preview

Coordinates	4083174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H69 Ir O6
Calculated formula	C54 H69 Ir O6
Title of publication	Synthesis and Characterization of [Ir(AcacBiMs)(COD)] and [cis-Ir(AcacBiMs)2(COE-OH)]
Authors of publication	Serrano, Oracio; Nicasio-Collazo, Juan; Morales, Guadalupe; Alvarado-Monzón, J. Carlos; Torres-Huerta, Aarón; Höpfl, Herbert; López, Jorge A.; Esqueda, Ana C.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	10
Pages of publication	2561
a	11.1785 ± 0.0013 Å
b	17.563 ± 0.002 Å
c	25.343 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4975.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0803
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
178720 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/31.	4083174.cif
115871	2014-06-05	cif/ Updating files of 4083173, 4083174 Original log message: Adding full bibliography for 4083173--4083174.cif.	4083174.cif
113037	2014-05-08	cif/ Adding structures of 4083174 via cif-deposit CGI script.	4083174.cif