Crystallography Open Database

Information card for entry 7115462

Preview

Coordinates	7115462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H31 N3 Pt
Calculated formula	C50 H31 N3 Pt
SMILES	[Pt]123n4c5=C(c6[n]1c(=C(c1c7c(c(c31)C(=c1[n]2c(C(=c4cc5)c2ccccc2)cc1)c1ccccc1)ccccc7)c1ccccc1)cc6)c1ccccc1
Title of publication	Merging of inner and outer ruthenium organometallic coordination motifs within an azuliporphyrin framework
Authors of publication	Michal J. Bialek; Lechoslaw Latos-Grazynski
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	9270
a	10.315 ± 0.003 Å
b	11.935 ± 0.003 Å
c	14.841 ± 0.004 Å
α	103.07 ± 0.04°
β	97.56 ± 0.03°
γ	102.32 ± 0.04°
Cell volume	1707.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1837
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180268 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/54.	7115462.cif
125082	2014-10-08	cif/ Adding structures of 7115456, 7115457, 7115458, 7115459, 7115460, 7115461, 7115462 via cif-deposit CGI script.	7115462.cif