Crystallography Open Database

Information card for entry 7233591

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Coordinates	7233591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H68 Cl2 N4 Zn
Calculated formula	C60 H68 Cl2 N4 Zn
Title of publication	Metal-induced dimensionality tuning in a series of bipyrimidine-based ligands: a tool to enhance two-photon absorption
Authors of publication	Paul Savel; Huriye Akdas-Kilig; Jean-Pierre Malval; Arnaud Spangenberg; Thierry Roisnel; Jean-Luc Fillaut
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	295 - 305
a	27.239 ± 0.003 Å
b	26.022 ± 0.003 Å
c	15.3824 ± 0.0015 Å
α	90°
β	101.558 ± 0.006°
γ	90°
Cell volume	10682 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2031
Residual factor for significantly intense reflections	0.1049
Weighted residual factors for significantly intense reflections	0.3045
Weighted residual factors for all reflections included in the refinement	0.354
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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