Crystallography Open Database

Information card for entry 7224356

Preview

Coordinates	7224356.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(ClIO)3:DMSO:H2O
Formula	C171.04 H129.12 Cl12 N24 O36.52 S7.52
Calculated formula	C171.04 H129.12 Cl12 N24 O36.52 S7.52
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	55.0537 ± 0.001 Å
b	36.3597 ± 0.0005 Å
c	10.6018 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	21222 ± 0.6 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	7224356.cif
176824	2016-02-23	cif/ Adding structures of 7224352, 7224353, 7224354, 7224355, 7224356, 7224357, 7224358, 7224359, 7224360, 7224361 via cif-deposit CGI script.	7224356.cif