Crystallography Open Database

Information card for entry 7017225

Preview

Coordinates	7017225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H92 Cl4 Cu2 N8 O24
Calculated formula	C68 H92 Cl4 Cu2 N8 O24
Title of publication	Anion-driven conformation control and enhanced sulfate binding utilising aryl linked salicylaldoxime dicopper helicates.
Authors of publication	Stevens, James R.; Plieger, Paul G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	45
Pages of publication	12235 - 12241
a	14.7464 ± 0.0008 Å
b	15.6825 ± 0.0008 Å
c	21.3265 ± 0.0015 Å
α	95.308 ± 0.007°
β	109.898 ± 0.008°
γ	104.436 ± 0.007°
Cell volume	4405.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.223
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.1952
Weighted residual factors for all reflections included in the refinement	0.2413
Goodness-of-fit parameter for all reflections included in the refinement	0.813
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Copper
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179876 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/72.	7017225.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017225.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017225.cif
31276	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7017224, 7017225, 7017226, 7017227 via cif-deposit CGI script.	7017225.cif