Crystallography Open Database

Information card for entry 7108642

Preview

Coordinates	7108642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 Ir N3 O
Calculated formula	C48 H50 Ir N3 O
Title of publication	Iridium(III) azuliporphyrins
Authors of publication	Gregory M. Ferrence; Timothy D. Lash; Komal Pokharel; Matthias Zeller
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	11793
a	13.01 ± 0.003 Å
b	15.894 ± 0.003 Å
c	18.593 ± 0.004 Å
α	90°
β	93.258 ± 0.003°
γ	90°
Cell volume	3838.5 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
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
180190 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/86.	7108642.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7108642.cif
68622	2012-11-12	cif/ Adding structures of 7108642 via cif-deposit CGI script.	7108642.cif