Crystallography Open Database

Information card for entry 7224737

Preview

Coordinates	7224737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H98 Cl2 Cu2 N16 O5 S
Calculated formula	C100 H96 Cl2 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	16.689 ± 0.004 Å
b	16.689 ± 0.004 Å
c	32.737 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	9118 ± 4 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 significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.3398
Goodness-of-fit parameter for all reflections included in the refinement	1.387
Diffraction radiation wavelength	0.71075 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.	7224737.cif
180579	2016-03-29	cif/ Adding structures of 7224734, 7224735, 7224736, 7224737 via cif-deposit CGI script.	7224737.cif