Crystallography Open Database

Information card for entry 7224360

Preview

Coordinates	7224360.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ClIO4 chloroform solvate
Formula	C52.8 H28.8 Cl6.4 N8 O8
Calculated formula	C52.8 H28.8 Cl6.4 N8 O8
Title of publication	Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion
Authors of publication	Mocilac, P.; Gallagher, J. F.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	13
Pages of publication	2375
a	13.9915 ± 0.0006 Å
b	19.1005 ± 0.0008 Å
c	19.0658 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5095.2 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1716
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	0.703
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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