Crystallography Open Database

Information card for entry 2241168

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Structure parameters

Chemical name	[5-Bromo-2-(pyridin-2-yl-<i>κN</i>)phenyl-κ<i>C</i>^1^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')platinum(II)
Formula	C16 H14 Br N O2 Pt
Calculated formula	C16 H14 Br N O2 Pt
SMILES	Brc1ccc2c3cccc[n]3[Pt]3(c2c1)OC(=CC(=[O]3)C)C
Title of publication	Crystal structure of [5-bromo-2-(pyridin-2-yl-<i>{κ</i>N})phenyl-<i>{κ</i>C}^1^](pentane-2,4-dionato-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')platinum(II)
Authors of publication	Fukuda, Keito; Sugaya, Tomoaki; Ishihara, Koji
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	10
Pages of publication	1259 - 1261
a	17.557 ± 0.002 Å
b	17.876 ± 0.002 Å
c	19.832 ± 0.002 Å
α	90°
β	91.397 ± 0.001°
γ	90°
Cell volume	6222.4 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181912 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11.	2241168.cif 2241168.hkl
159069	2015-10-01	cif/ hkl/ Adding structures of 2241168 via cif-deposit CGI script.	2241168.cif 2241168.hkl