Crystallography Open Database

Information card for entry 4301033

Preview

Coordinates	4301033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H91 Cl4 Co4 N8 O30
Calculated formula	C68 H91 Cl4 Co4 N8 O30
SMILES	[Co]123456[Co]789([OH][Co]%10%11%12%13%14[Co]%15%16%17([OH]1)([O]%10c1c%10cc(cc1C=[N]%14[C@H]1[C@H]([N]%13=Cc%13c([O]%11%15)c(C=[N]%17[C@H]%11[C@H]([N]%16=C%10)CCCC%11)cc(c%13)C)CCCC1)C)O[C@H](O%12)C)([O]2c1c2cc(cc1C=[N]5[C@H]1[C@H]([N]6=Cc5c([O]37)c(cc(c5)C)C=[N]8[C@H]3[C@H]([N]9=C2)CCCC3)CCCC1)C)O[C@H](O4)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.OC.OC.OC
Title of publication	Novel Chiral "Calixsalen" Macrocycle and Chiral Robson-type Macrocyclic Complexes
Authors of publication	Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	232 - 241
a	16.97 ± 0.005 Å
b	19.821 ± 0.005 Å
c	23.093 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	7768 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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
Duplicate of	4308425
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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