Crystallography Open Database

Information card for entry 7052002

7052001 << 7052002 >> 7052003

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Structure parameters

Common name	iodopentafluorobenzene-phenazine 1/1
Chemical name	iodopentafluorobenzene-phenazine 1/1
Formula	C18 H8 F5 I N2
Calculated formula	C18 H8 F5 I N2
SMILES	Ic1c(F)c(F)c(F)c(F)c1F.n1c2c(nc3c1cccc3)cccc2
Title of publication	A cocrystallisation-based strategy to construct isostructural solids
Authors of publication	Cinčić, Dominik; Friščić, Tomislav; Jones, William
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	10
Pages of publication	1776
a	16.8943 ± 0.0003 Å
b	7.2299 ± 0.0001 Å
c	14.9051 ± 0.0002 Å
α	90°
β	116.08 ± 0.001°
γ	90°
Cell volume	1635.2 ± 0.05 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0586
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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