Crystallography Open Database

Information card for entry 8103209

Preview

Coordinates	8103209.cif

Structure parameters

Formula	C49 H39 Ir N2 O4
Calculated formula	C49 H39 Ir N2 O4
Title of publication	Crystal structure of dibenzoylmethane-?2O,O'-bis[2-(2-naphthyl)-3-methoxy-6-methylpyridine-?2C2,N]iridium(III), Ir(C34H28N2O2)2(C15H11O2)
Authors of publication	Chen Xu; Xin-Ming Dong; Xin-Qi Hao; Mao-Ping Song
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	593
a	12.288 ± 0.0009 Å
b	25.0429 ± 0.0018 Å
c	13.1937 ± 0.0009 Å
α	90°
β	102.469 ± 0.001°
γ	90°
Cell volume	3964.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0246
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103209.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103209.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103209.cif
32551	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103209 via cif-deposit CGI script.	8103209.cif