Crystallography Open Database

Information card for entry 7031549

Preview

Coordinates	7031549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H74 Br Cl2 In N10
Calculated formula	C120 H74 Br Cl2 In N10
Title of publication	Design, crystal structures and magnetic properties of anionic salts containing fullerene C60 and indium(iii) bromide phthalocyanine radical anions.
Authors of publication	Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	34
Pages of publication	13061
a	22.3081 ± 0.0005 Å
b	16.9276 ± 0.0004 Å
c	24.9563 ± 0.0005 Å
α	90°
β	115.282 ± 0.001°
γ	90°
Cell volume	8521.4 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
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	0.2522
Residual factor for significantly intense reflections	0.1349
Weighted residual factors for significantly intense reflections	0.3716
Weighted residual factors for all reflections included in the refinement	0.4274
Goodness-of-fit parameter for all reflections included in the refinement	1.32
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
180021 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/15.	7031549.cif
121684	2014-08-08	cif/ Updating files of 7031547, 7031548, 7031549 Original log message: Adding full bibliography for 7031547--7031549.cif.	7031549.cif
118930	2014-07-03	cif/ Adding structures of 7031547, 7031548, 7031549 via cif-deposit CGI script.	7031549.cif