Crystallography Open Database

Information card for entry 7023658

Preview

Coordinates	7023658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.5 H63 Cl2 Fe N9 O12.5
Calculated formula	C61.5 H57 Cl2 Fe N9 O12.5
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	18.4606 ± 0.0002 Å
b	18.4606 ± 0.0002 Å
c	18.4606 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6291.26 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.1241
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1869
Weighted residual factors for all reflections included in the refinement	0.209
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7023658.cif
90598	2013-11-18	cif/ Adding structures of 7023656, 7023657, 7023658 via cif-deposit CGI script.	7023658.cif