Crystallography Open Database

Information card for entry 7023507

Preview

Coordinates	7023507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H90 Br8 Cu2 F12 N8 O3 P2
Calculated formula	C105 H90 Br8 Cu2 F12 N8 O3 P2
Title of publication	Improving the photoresponse of copper(I) dyes in dye-sensitized solar cells by tuning ancillary and anchoring ligand modules.
Authors of publication	Bozic-Weber, Biljana; Brauchli, Sven Y.; Constable, Edwin C.; Fürer, Sebastian O; Housecroft, Catherine E.; Malzner, Frederik J.; Wright, Iain A.; Zampese, Jennifer A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	34
Pages of publication	12293 - 12308
a	11.7229 ± 0.0006 Å
b	14.2639 ± 0.0008 Å
c	15.9549 ± 0.0008 Å
α	93.364 ± 0.003°
β	100.301 ± 0.003°
γ	91.589 ± 0.003°
Cell volume	2618.4 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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 all reflections	0.0703
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.1785
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179940 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/35.	7023507.cif
90554	2013-11-18	cif/ Adding structures of 7023506, 7023507, 7023508, 7023509, 7023510 via cif-deposit CGI script.	7023507.cif