Crystallography Open Database

Information card for entry 7032836

Preview

Coordinates	7032836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H108 Cl2 Cu2 N20 O12 S
Calculated formula	C108 H108 Cl2 Cu2 N20 O12 S
Title of publication	Efficient removal of perchlorate ion from water by a water-insoluble M2L4 type compound.
Authors of publication	Mochizuki, Masaru; Inoue, Tatsunari; Yamanishi, Katsunori; Koike, Shiori; Kondo, Mitsuru; Zhang, Liang; Aoki, Hiromi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	48
Pages of publication	17924 - 17927
a	13.3355 ± 0.0011 Å
b	14.6602 ± 0.0011 Å
c	15.0833 ± 0.001 Å
α	67.191 ± 0.005°
β	75.636 ± 0.006°
γ	89.943 ± 0.007°
Cell volume	2618.2 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.1943
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
180034 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28.	7032836.cif
128381	2014-12-06	cif/ Updating files of 7032836, 7032837 Original log message: Adding full bibliography for 7032836--7032837.cif.	7032836.cif
125531	2014-10-18	cif/ Adding structures of 7032836, 7032837 via cif-deposit CGI script.	7032836.cif