Crystallography Open Database

Information card for entry 7224736

Preview

Coordinates	7224736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H98 Br2 Cu2 N16 O5 S
Calculated formula	C100 H96 Br2 Cu2 N16 O5 S
Title of publication	Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions
Authors of publication	Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	26
Pages of publication	5004
a	16.918 ± 0.002 Å
b	16.918 ± 0.002 Å
c	32.534 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	9312 ± 2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0974
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185202 (current)	2016-08-07	cif/ Updating files of 7224734, 7224735, 7224736, 7224737 Original log message: Adding full bibliography for 7224734--7224737.cif.	7224736.cif
180579	2016-03-29	cif/ Adding structures of 7224734, 7224735, 7224736, 7224737 via cif-deposit CGI script.	7224736.cif