Crystallography Open Database

Information card for entry 4327287

Preview

Coordinates	4327287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H28 Ir2 N4 O4
Calculated formula	C48 H28 Ir2 N4 O4
SMILES	c1c2cc3C(=c4ccc(C(=c5ccc6=C(c7ccc(=C2c2ccccc2)[n]7[Ir](n56)(C#[O])C#[O])c2ccccc2)c2ccccc2)[n]4[Ir](n13)(C#[O])C#[O])c1ccccc1
Title of publication	Bis[iridium(I)] Complex of Inverted N-Confused Porphyrin
Authors of publication	Motoki Toganoh; Jo Konagawa; Hiroyuki Furuta
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	3852 - 3854
a	11.305 ± 0.002 Å
b	12.171 ± 0.002 Å
c	16.957 ± 0.003 Å
α	105.996 ± 0.003°
β	96.263 ± 0.003°
γ	115.318 ± 0.003°
Cell volume	1957 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179375 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/72.	4327287.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327287.cif
61003	2012-06-20	cif/ Adding structures of 4327287 via cif-deposit CGI script.	4327287.cif