Crystallography Open Database

Information card for entry 7032573

Preview

Coordinates	7032573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 N3 O3 S
Calculated formula	C29 H23 N3 O3 S
SMILES	C(=O)(/C(=C/c1ccc(c2ccc3c(c2)c2c(cccc2)n3c2ccccc2)s1)C#N)O.C(=O)N(C)C
Title of publication	A distinguishable photovoltaic performance on dye-sensitized solar cells using ruthenium sensitizers with a pair of isomeric ancillary ligands.
Authors of publication	Ma, Bin-Bin; Peng, Yu-Xin; Tao, Tao; Huang, Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	44
Pages of publication	16601 - 16604
a	9.09 ± 0.005 Å
b	9.383 ± 0.005 Å
c	15.108 ± 0.008 Å
α	79.476 ± 0.009°
β	81.97 ± 0.008°
γ	81.163 ± 0.009°
Cell volume	1243.6 ± 1.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.1098
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180031 (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 7/03/25.	7032573.cif
126440	2014-11-06	cif/ Updating files of 7032571, 7032572, 7032573 Original log message: Adding full bibliography for 7032571--7032573.cif.	7032573.cif
123837	2014-09-16	cif/ Adding structures of 7032571, 7032572, 7032573 via cif-deposit CGI script.	7032573.cif