Crystallography Open Database

Information card for entry 4300544

Preview

Coordinates	4300544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 Cu N3 O4
Calculated formula	C20 H17 Cu N3 O4
SMILES	[Cu]12([O]=C(C)C=C(O1)C)[n]1c(=C(c3ccc(N(=O)=O)cc3)c3n2ccc3)ccc1
Title of publication	Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds, Coordinative Bonds and Covalent Bonds
Authors of publication	Heinze, Katja; Reinhart, Anja
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	13.917 ± 0.003 Å
b	8.955 ± 0.0018 Å
c	14.856 ± 0.003 Å
α	90°
β	93.21 ± 0.03°
γ	90°
Cell volume	1848.5 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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