Crystallography Open Database

Information card for entry 7105594

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Coordinates	7105594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H20 Cl4 Co N6 O3
Calculated formula	C36 H20 Cl4 Co N6 O3.00667
Title of publication	Spontaneous chiral resolution of mer-[Co(II)(N,N,O-L3)2] enantiomers mediated by pi-pi interactions.
Authors of publication	Wu, Jin-Ji; Cao, Man-Li; Ye, Bao-Hui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	21
Pages of publication	3687 - 3689
a	28.4649 ± 0.0007 Å
b	28.4649 ± 0.0007 Å
c	21.9509 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	15402.9 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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