Crystallography Open Database

Information card for entry 7054473

Preview

Coordinates	7054473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H62 Cl12 N6
Calculated formula	C72 H62 Cl12 N6
SMILES	c1(cc(cc(n1)c1ncccc1)c1ccc(C2=CC3=CC(=CC4=C(C=C5C=C(C=C2[C@@]5([C@@]34C)C)C(C)(C)C)c2ccc(c3cc(c4ccccn4)nc(c3)c3ncccc3)cc2)C(C)(C)C)cc1)c1ccccn1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	π-Conjugation modification of photochromic and redox-active dimethyldihydropyrene by phenyl- and ethynyl-terpyridines and Ru(bis-terpyridine) complexes
Authors of publication	Muratsugu, Satoshi; Nishihara, Hiroshi
Journal of publication	New J. Chem.
Year of publication	2014
Journal volume	38
Journal issue	12
Pages of publication	6114
a	9.5091 ± 0.0015 Å
b	13.741 ± 0.002 Å
c	15.412 ± 0.0018 Å
α	62.573 ± 0.004°
β	73.988 ± 0.006°
γ	87.296 ± 0.007°
Cell volume	1710.6 ± 0.4 Å³
Cell temperature	113 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
180098 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/44.	7054473.cif
128405	2014-12-06	cif/ Updating files of 7054473 Original log message: Adding full bibliography for 7054473.cif.	7054473.cif
125200	2014-10-10	cif/ Adding structures of 7054473 via cif-deposit CGI script.	7054473.cif