Crystallography Open Database

Information card for entry 7112085

7112084 << 7112085 >> 7112086

Preview

Coordinates	7112085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H58 B Cl F60 N14 O22 Zn
Calculated formula	C101 H58 B Cl F60 N14 O22 Zn
Title of publication	A phthalocyanine-subphthalocyanine heterodinuclear dimer: comparison of spectroscopic properties with those of homodinuclear dimers of constituting units
Authors of publication	Norio Shibata; Satoru Mori; Masamichi Hayashi; Masashi Umeda; Etsuko Tokunaga; Motoo Shiro; Hiroyasu Sato; Tomonori Hoshi; Nagao Kobayashi
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3040
a	18.0827 ± 0.0004 Å
b	19.303 ± 0.0004 Å
c	20.4018 ± 0.0015 Å
α	86.237 ± 0.006°
β	73.705 ± 0.005°
γ	71.906 ± 0.005°
Cell volume	6495.4 ± 0.6 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.387
Goodness-of-fit parameter for all reflections included in the refinement	1.519
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112085.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112085.cif
104436	2014-03-11	cif/ Adding structures of 7112085 via cif-deposit CGI script.	7112085.cif