Crystallography Open Database

Information card for entry 7203679

7203678 << 7203679 >> 7203680

Preview

Coordinates	7203679.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 2
Formula	C86 H116 F In N8
Calculated formula	C86 H90 F In N8
Title of publication	X-Ray crystallographic studies of three substituted indium(iii) phthalocyanines: effect of ring substitution and the axial ligand on molecular geometry and packing
Authors of publication	Aurélien Auger; Paul M. Burnham; Isabelle Chambrier; Michael J. Cook; David L. Hughes
Journal of publication	Journal of Materials Chemistry
Year of publication	2005
Journal volume	15
Journal issue	1
Pages of publication	168
a	12.873 ± 0.003 Å
b	17.91 ± 0.004 Å
c	17.642 ± 0.004 Å
α	102.92 ± 0.03°
β	93.73 ± 0.03°
γ	90.5 ± 0.03°
Cell volume	3955 ± 1.6 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 1 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	0.1582
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180367 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/36.	7203679.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203679.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203679.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203679.cif