Crystallography Open Database

Information card for entry 7116570

Preview

Coordinates	7116570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H74 N2 O8 S2
Calculated formula	C67 H74 N2 O8 S2
Title of publication	Dipicolinic acid: a strong anchoring group with tunable redox and spectral behavior for stable dye-sensitized solar cells
Authors of publication	Erik Gabrielsson; Haining Tian; Susanna K. Eriksson; Jiajia Gao; Hong Chen; Fusheng Li; Johan Oscarsson; Junliang Sun; Hakan Rensmo; Lars Kloo; Anders Hagfeldt; Licheng Sun
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	3858
a	15.302 ± 0.002 Å
b	15.3895 ± 0.0011 Å
c	15.4431 ± 0.0019 Å
α	71.988 ± 0.008°
β	60.74 ± 0.013°
γ	87.419 ± 0.008°
Cell volume	2992.4 ± 0.7 Å³
Cell temperature	100 ± 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	0.0588
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1639
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180279 (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 7/11/65.	7116570.cif
132071	2015-02-19	cif/ Adding structures of 7116570, 7116571 via cif-deposit CGI script.	7116570.cif