Crystallography Open Database

Information card for entry 7224361

Preview

Coordinates	7224361.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ClIO4 dichloromethane solvate
Formula	C52.61 H29.22 Cl5.22 N8 O8
Calculated formula	C52.61 H29.22 Cl5.22 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	13.6868 ± 0.0009 Å
b	19.0571 ± 0.0011 Å
c	19.07 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4974 ± 0.5 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	0.0845
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1458
Weighted residual factors for all reflections included in the refinement	0.1723
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181594 (current)	2016-04-05	cif/ Updating files of 7224352, 7224353, 7224354, 7224355, 7224356, 7224357, 7224358, 7224359, 7224360, 7224361 Original log message: Adding full bibliography for 7224352--7224361.cif.	7224361.cif
176824	2016-02-23	cif/ Adding structures of 7224352, 7224353, 7224354, 7224355, 7224356, 7224357, 7224358, 7224359, 7224360, 7224361 via cif-deposit CGI script.	7224361.cif