Crystallography Open Database

Information card for entry 4060600

Preview

Coordinates	4060600.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BnSO2Co(gH)2(4-tBuPy)
Formula	C48 H64 Cl4 Co2 N10 O13 S2
Calculated formula	C48 H64 Cl4 Co2 N10 O13 S2
SMILES	[Co]12(S(=O)(=O)Cc3ccccc3)(N(O)C=C[N]1=O)(N(O)C=C[N]2=O)[n]1ccc(cc1)C(C)(C)C.ClCCl.O.c1ccccc1
Journal of publication	Organometallics
Year of publication	2006
a	10.9123 ± 0.0008 Å
b	16.2234 ± 0.0012 Å
c	17.2569 ± 0.0013 Å
α	101.963 ± 0.001°
β	90.168 ± 0.001°
γ	91.173 ± 0.001°
Cell volume	2988 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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