Crystallography Open Database

Information card for entry 7110275

Preview

Coordinates	7110275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 Br F3 N2 O3 S2
Calculated formula	C25 H24 Br F3 N2 O3 S2
Title of publication	STM-based molecular detection of ?catch-and-release? of protons for bipyridine bound to phenylene?ethynylene thiolElectronic supplementary information (ESI) available: cross sectional profiles of the STM images before and after the addition of TfOH. See http://www.rsc.org/suppdata/cc/b4/b402251c/
Authors of publication	Koyama, Emiko; Ishida, Takao; Tokuhisa, Hideo; Belaissaoui, Abdelhak; Nagawa, Yoshinobu; Kanesato, Masatoshi
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	14
Pages of publication	1626 - 1627
a	10.5 ± 0.01 Å
b	11.15 ± 0.02 Å
c	12.58 ± 0.02 Å
α	98.96 ± 0.07°
β	93.25 ± 0.06°
γ	106.31 ± 0.05°
Cell volume	1388 ± 4 Å³
Cell temperature	193.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.512
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7110275.cif
94337	2014-01-23	cif/ Adding structures of 7110275 via cif-deposit CGI script.	7110275.cif