Crystallography Open Database

Information card for entry 7234291

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Coordinates	7234291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H86 Cl18 N12 O20 Ru
Calculated formula	C78 H86 Cl18 N12 O20 Ru
Title of publication	The crucial role of self-assembly in nonlinear optical properties of polymeric composites based on crown-substituted ruthenium phthalocyaninate
Authors of publication	Yulia G. Gorbunova; Antonina D. Grishina; Alexander G. Martynov; Tatiyana V. Krivenko; Alexandra A. Isakova; Vladimir V. Savel'ev; Sergey E. Nefedov; Evgeny V. Abkhalimov; Anatoly V. Vannikov; Aslan Yu. Tsivadze
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	6692 - 6700
a	12.3589 ± 0.0011 Å
b	14.041 ± 0.0012 Å
c	14.1355 ± 0.0012 Å
α	96.287 ± 0.002°
β	104.612 ± 0.001°
γ	102.61 ± 0.002°
Cell volume	2280.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.155
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
219008 (current)	2019-10-02	cif/ Adding structures of 7234291 via cif-deposit CGI script.	7234291.cif