Crystallography Open Database

Information card for entry 4300217

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Coordinates	4300217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H100 Cl8 Co5 N18
Calculated formula	C104 H99 Cl8 Co5 N18
SMILES	[Co]123[N](c4ccccc4)=C4N5[Co]6([N](=C5CCC4)c4ccccc4)(N4C(=[N]1c1ccccc1)CCCC4=[N]6c1ccccc1)[N](c1ccccc1)=C1N2C(=[N]3c2ccccc2)CCC1.[Co]123N4C(=[N]([Co]5([N](=C6N=C(N2c2ccccc2)CCC6)c2ccccc2)N2C(=[N]3c3ccccc3)CCCC2=[N]5c2ccccc2)c2ccccc2)CCCC4=[N]1c1ccccc1.[Co](Cl)(Cl)([Cl-])[Cl-].C(Cl)Cl.C(Cl)Cl
Title of publication	A Dinuclear Cation with Both Four- and Five-Coordinate Cobalt(II)
Authors of publication	F. Albert Cotton; Carlos A. Murillo; Hong-Cai Zhou
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1039 - 1041
a	19.268 ± 0.0007 Å
b	20.562 ± 0.007 Å
c	27.777 ± 0.007 Å
α	74.784 ± 0.006°
β	76.967 ± 0.01°
γ	75.952 ± 0.014°
Cell volume	10146 ± 4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1175
Weighted residual factors for significantly intense reflections	0.2801
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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