Crystallography Open Database

Information card for entry 8105331

Preview

Coordinates	8105331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H16 F2 I N2
Calculated formula	C31 H16 F2 I N2
Title of publication	The crystal structure of 1,8-bis(pyridin-4-ylethynyl)anthracene-1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1), C62H32F4I2N4
Authors of publication	Zhang, Lingfan; Ding, Man-Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	919 - 921
a	10.201 ± 0.009 Å
b	10.897 ± 0.009 Å
c	13.499 ± 0.012 Å
α	106.74 ± 0.009°
β	98.981 ± 0.009°
γ	115.198 ± 0.009°
Cell volume	1231.1 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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