Crystallography Open Database

Information card for entry 4000359

Preview

Coordinates	4000359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 In N3 O3
Calculated formula	C27 H18 In N3 O3
SMILES	c1cc2O[In]34([n]5c2c(c1)ccc5)(Oc1c2[n]4cccc2ccc1)Oc1c2[n]3cccc2ccc1
Journal of publication	Chemistry of Materials
Year of publication	2004
a	8.3586 Å
b	10.324 Å
c	13.1758 Å
α	108.464°
β	96.8999°
γ	91.4416°
Cell volume	1068.24 Å³
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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