Crystallography Open Database

Information card for entry 7023657

Preview

Coordinates	7023657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H69 Cl2.67 Cu Fe I N15 O13.68
Calculated formula	C72 H69 Cl2.66 Cu Fe I0.99 N15 O13.64
Title of publication	Optically pure heterobimetallic helicates from self-assembly and click strategies.
Authors of publication	Howson, Suzanne E.; Clarkson, Guy J.; Faulkner, Alan D.; Kaner, Rebecca A.; Whitmore, Michael J.; Scott, Peter
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	42
Pages of publication	14967 - 14981
a	20.5043 ± 0.0004 Å
b	20.5043 ± 0.0004 Å
c	20.5043 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8620.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.1125
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2093
Weighted residual factors for all reflections included in the refinement	0.2242
Goodness-of-fit parameter for all reflections included in the refinement	1.369
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179941 (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 7/02/36.	7023657.cif
90598	2013-11-18	cif/ Adding structures of 7023656, 7023657, 7023658 via cif-deposit CGI script.	7023657.cif