Crystallography Open Database

Information card for entry 1534094

Preview

Coordinates	1534094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H60 Cl2 N10 O7 Ru
Calculated formula	C78 H58 N10 O7 Ru
SMILES	[Ru]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)c1ccc(N(c5ccccc5)c5ccccc5)cc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1[n]4cccc1.O=N(=O)[O-].O=N(=O)[O-].O
Title of publication	Synthesis and Electrochromic Properties of New Terpyridine‒Triphenylamine Hybrid Polymers
Authors of publication	Fan, Congbin; Ye, Changqing; Wang, Xiaomei; Chen, Zhigang; Zhou, Yuyang; Liang, Zuoqin; Tao, Xutang
Journal of publication	Macromolecules
Year of publication	2015
Journal volume	48
Journal issue	18
Pages of publication	6465
a	12.6643 ± 0.0014 Å
b	15.7605 ± 0.0017 Å
c	18.076 ± 0.002 Å
α	105.968 ± 0.001°
β	97.219 ± 0.002°
γ	99.105 ± 0.001°
Cell volume	3370.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1497
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.1412
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
160414 (current)	2015-10-06	cif/ Adding structures of 1534094 via cif-deposit CGI script.	1534094.cif