Crystallography Open Database

Information card for entry 4331568

Preview

Coordinates	4331568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H44 Br2 Cl Ga N8 O5
Calculated formula	C49 H44 Br2 Cl Ga N8 O5
Title of publication	The First Metal-Based Paullone Derivative with High Antiproliferative Activity in Vitro
Authors of publication	Dobrov, Anatoly; Arion, Vladimir B.; Kandler, Norbert; Ginzinger, Werner; Jakupec, Michael A.; Rufińska, Anna; Graf von Keyserlingk, Nikolai; Galanski, Markus; Kowol, Christian; Keppler, Bernhard K.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	5
Pages of publication	1945 - 1950
a	15.961 ± 0.003 Å
b	18.656 ± 0.004 Å
c	15.773 ± 0.003 Å
α	90°
β	102.14 ± 0.03°
γ	90°
Cell volume	4591.7 ± 1.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331568.cif
97711	2014-01-29	cif/ Adding structures of 4331568 via cif-deposit CGI script.	4331568.cif