Crystallography Open Database

Information card for entry 7224357

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Coordinates	7224357.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(ClIO)4:CH2Cl2
Formula	C106 H60 Cl12 N16 O16
Calculated formula	C106 H60 Cl12 N16 O16
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	13.8337 ± 0.0001 Å
b	19.0181 ± 0.0001 Å
c	19.0737 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	5018.11 ± 0.05 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	0.0451
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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