Crystallography Open Database

Information card for entry 2311545

Preview

Coordinates	2311545.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{μ~2~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylene)]bis(4-oxo-4<i>H</i>-pyran-3-olato)}dicobaltcalcium bis(perchlorate) 1.36-hydrate
Formula	C44 H60 Ca Cl2 Co2 N8 O21.36
Calculated formula	C44 H60 Ca Cl2 Co2 N8 O21.36
Title of publication	Crystal structure of bis-{μ<sub>2</sub>-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(meth-yl-ene)]bis-(4-oxo-4<i>H</i>-pyran-3-olato)}dicobalt-calcium bis-(perchlorate) 1.36-hydrate.
Authors of publication	Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Giorgi, Luca; Formica, Mauro; Fusi, Vieri
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1959 - 1965
a	8.9799 ± 0.0004 Å
b	8.9799 ± 0.0004 Å
c	32.555 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2625.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	0.858
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245970 (current)	2019-12-25	cif/ Adding structures of 2311545 via cif-deposit CGI script.	2311545.cif