Crystallography Open Database

Information card for entry 7023656

Preview

Structure parameters

Formula	C62 H60 Cl2 Fe N10 O11
Calculated formula	C62 H60 Cl2 Fe N10 O11
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	16.9892 ± 0.00007 Å
b	17.17527 ± 0.00006 Å
c	19.71472 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	5752.64 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7023656.cif
179941	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.	7023656.cif
90598	2013-11-18	cif/ Adding structures of 7023656, 7023657, 7023658 via cif-deposit CGI script.	7023656.cif