Crystallography Open Database

Information card for entry 1506349

Preview

Coordinates	1506349.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-μ O-pyridoxalthiosemicarbazonenitroprussidocopper(II) dihydrate
Formula	C14 H16 Cu Fe N10 O5 S
Calculated formula	C14 H16 Cu Fe N10 O6 S
SMILES	[Fe](N=O)(C#N)(C#N)(C#[N][Cu]12Oc3c(C=[N]2NC(=[S]1)N)c(c[nH+]c3C)CO)(C#N)C#N.O.O.O
Title of publication	Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity.
Authors of publication	Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto
Journal of publication	Journal of medicinal chemistry
Year of publication	2005
Journal volume	48
Journal issue	5
Pages of publication	1671 - 1675
a	13.157 ± 0.003 Å
b	13.641 ± 0.003 Å
c	14.205 ± 0.004 Å
α	90 ± 0°
β	115.98 ± 0.01°
γ	90 ± 0°
Cell volume	2291.8 ± 1 Å³
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0479
Weighted residual factors for all reflections	0.16
Goodness-of-fit parameter for all reflections	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506349.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506349.cif
50244	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506349, 1506350, 1506351 via cif-deposit CGI script.	1506349.cif