Crystallography Open Database

Information card for entry 4304757

Preview

Coordinates	4304757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 F6 Ir N4 O3 P
Calculated formula	C38 H36 F6 Ir N4 O3 P
Title of publication	Luminescent Cyclometalated RhIII, IrIII, and (DIP)2RuII Complexes with Carboxylated Bipyridyl Ligands: Synthesis, X-ray Molecular Structure, and Photophysical Properties
Authors of publication	Jenny B. Waern; Christophe Desmarets; Lise-Marie Chamoreau; Hani Amouri; Andrea Barbieri; Cristiana Sabatini; Barbara Ventura; Francesco Barigelletti
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3340 - 3348
a	16.139 ± 0.002 Å
b	13.6478 ± 0.0014 Å
c	17.6583 ± 0.0014 Å
α	90°
β	101.651 ± 0.008°
γ	90°
Cell volume	3809.3 ± 0.7 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1017
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179085 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/47.	4304757.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304757.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304757.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304757.cif