Crystallography Open Database

Information card for entry 4346589

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Coordinates	4346589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H154 N16
Calculated formula	C96 H154 N16
Title of publication	Unprecedented Phthalocyanines Bearing Eight Di-butylamino Peripheral Substituents: Synthesis, Spectroscopy, and Structure.
Authors of publication	Chen, Yuxiang; Cao, Wei; Wang, Kang; Jiang, Jianzhuang
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	20
Pages of publication	9962 - 9967
a	20.0317 ± 0.001 Å
b	27.6755 ± 0.0011 Å
c	18.582 ± 0.0009 Å
α	90°
β	116.117 ± 0.006°
γ	90°
Cell volume	9249.8 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
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	0.0845
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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