Crystallography Open Database

Information card for entry 7024940

Preview

Coordinates	7024940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C360 H464 B9.17 Cu8 F36.67 I6.83 N32 O21
Calculated formula	C360 H464 B9.17 Cu8 F36.68 I6.83 N32 O21
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	26.986 ± 0.005 Å
b	24.26 ± 0.005 Å
c	29.252 ± 0.006 Å
α	90°
β	95.28 ± 0.03°
γ	90°
Cell volume	19069 ± 7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.319
Residual factor for significantly intense reflections	0.1169
Weighted residual factors for significantly intense reflections	0.2835
Weighted residual factors for all reflections included in the refinement	0.3937
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	7024940.cif
92755	2014-01-12	cif/ Adding structures of 7024939, 7024940, 7024941 via cif-deposit CGI script.	7024940.cif