Crystallography Open Database

Information card for entry 7024939

Preview

Coordinates	7024939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H116 Cl4 Cu2 N8 O20
Calculated formula	C88 H116 Cl4 Cu2 N8 O20
Title of publication	Zwitterionic dicopper helicates: anion encapsulation and binding studies.
Authors of publication	Wenzel, Marco; Bruere, Sam R.; Knapp, Quintin W.; Tasker, Peter A.; Plieger, Paul G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	11
Pages of publication	2936 - 2941
a	13.5791 ± 0.0004 Å
b	18.1287 ± 0.0005 Å
c	22.9291 ± 0.0006 Å
α	82.984 ± 0.002°
β	72.81 ± 0.001°
γ	78.701 ± 0.001°
Cell volume	5275.4 ± 0.3 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 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	0.0805
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179954 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/49.	7024939.cif
92755	2014-01-12	cif/ Adding structures of 7024939, 7024940, 7024941 via cif-deposit CGI script.	7024939.cif