Crystallography Open Database

Information card for entry 4120460

4120459 << 4120460 >> 4120461

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Coordinates	4120460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12.25 N Te
Calculated formula	C13 H12.25 N Te
Title of publication	Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.
Authors of publication	Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	2
Pages of publication	765 - 776
a	21.3517 ± 0.0006 Å
b	21.3517 ± 0.0006 Å
c	16.3004 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7431.3 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	137
Hermann-Mauguin space group symbol	P 42/n m c :2
Hall space group symbol	-P 4ac 2a
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.2054
Weighted residual factors for all reflections included in the refinement	0.2118
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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