Crystallography Open Database

Information card for entry 4337428

Preview

Coordinates	4337428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76.5 H107.5 B2 Cl2 F8 N4 Rh6 S4
Calculated formula	C69 H88.36 B2 Cl2 F8 N4 Rh6 S4
Title of publication	Dinuclear Pyridine-4-thiolate-Bridged Rhodium and Iridium Complexes as Ditopic Building Blocks in Molecular Architecture.
Authors of publication	Ferrer, Montserrat; Gómez-Bautista, Daniel; Gutiérrez, Albert; Miranda, José R; Orduña-Marco, Guillermo; Oro, Luis A.; Pérez-Torrente, Jesús J; Rossell, Oriol; García-Orduña, Pilar; Lahoz, Fernando J.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1699 - 1711
a	39.803 ± 0.004 Å
b	16.5686 ± 0.0016 Å
c	28.098 ± 0.003 Å
α	90°
β	115.516 ± 0.002°
γ	90°
Cell volume	16723 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1451
Residual factor for significantly intense reflections	0.1028
Weighted residual factors for significantly intense reflections	0.3046
Weighted residual factors for all reflections included in the refinement	0.3229
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.6934 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4337428.cif
106367	2014-03-15	cif/ Adding structures of 4337428 via cif-deposit CGI script.	4337428.cif