Crystallography Open Database

Information card for entry 7115048

Preview

Coordinates	7115048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 I6 N4
Calculated formula	C48 I6 N4
SMILES	I[I-]I.I[I-]I.N(c1ccc([C+]([C@H]([C@@H]([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc2)c2ccccc2)c2ccc(N(C)C)cc2)cc1)(C)C.I[I-]I.I[I-]I.N(c1ccc([C+]([C@@H]([C@H]([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc2)c2ccccc2)c2ccc(N(C)C)cc2)cc1)(C)C
Title of publication	Dual-mode electrochromism switched by proton transfer: dynamic redox properties of bis(diarylmethylenium)-type dyes
Authors of publication	Suzuki, Takanori; Higuchi, Hiroki; Ohkita, Masakazu; Tsuji, Takashi
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	17
Pages of publication	1574
a	10.054 ± 0.002 Å
b	17.393 ± 0.003 Å
c	28.88 ± 0.005 Å
α	90°
β	92.97 ± 0.009°
γ	90°
Cell volume	5043.4 ± 1.6 Å³
Cell temperature	123.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.501
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.	7115048.cif
118504	2014-06-30	cif/ Adding structures of 7115048, 7115049, 7115050 via cif-deposit CGI script.	7115048.cif