Crystallography Open Database

Information card for entry 4300720

Preview

Coordinates	4300720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 Cu6 N20 O32
Calculated formula	C36 H56 Cu6 N20 O32
SMILES	[O]12CC(=O)O[Cu]2([OH2])(n2c[n]3c4c2c(nc[n]4[Cu]245([OH2])[Cu]3([OH2])(n3cnc(c6c3[n]2c[n]6[Cu]23([O](CC(=O)O2)CC(=O)O3)[OH2])N)(n2cnc(c3c2[n]5c[n]3[Cu]23([O](CC(=O)O2)CC(=O)O3)[OH2])N)[n]2c3c(n([Cu]56([O](CC(=O)O5)CC(=O)O6)[OH2])c2)c(nc[n]43)N)N)OC(=O)C1.O.O.O.O.O.O
Authors of publication	González-Pérez, Josefa María; Alarcón-Payer, Carolina; Castiñeiras, Alfonso; Pivetta, Tiziana; Lezama, Luis; Choquesillo-Lazarte, Duane; Crisponi, Guido; Niclós-Gutiérrez, Juan
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	15.203 ± 0.002 Å
b	10.2445 ± 0.0013 Å
c	19.094 ± 0.002 Å
α	90°
β	101.613 ± 0.003°
γ	90°
Cell volume	2913 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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