Crystallography Open Database

Information card for entry 7031551

Preview

Coordinates	7031551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Mn N4 O9
Calculated formula	C36 H32 Mn N4 O9
SMILES	[OH2][Mn]12(OC(=O)c3cccc4cccc(C(=O)[O-])c34)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.O.O.O
Title of publication	Photophysical properties of an unusual bichromophoric species constructed from a cyclometalated Pt(II) chromophore and a blue Bodipy-acetylacetonate species
Authors of publication	Campagna, Sebastiano; Puntoriero, Fausto; Nastasi, Francesco; Serroni, Scolastica; Olivier, Jean-Hubert; Ziessel, Raymond
Journal of publication	Dalton Transactions
Year of publication	2014
a	12.731 ± 0.003 Å
b	12.876 ± 0.003 Å
c	22.096 ± 0.004 Å
α	93.88 ± 0.03°
β	100 ± 0.03°
γ	107.99 ± 0.03°
Cell volume	3364.1 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0376
Weighted residual factors for all reflections included in the refinement	0.0403
Goodness-of-fit parameter for all reflections included in the refinement	0.842
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180021 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/15.	7031551.cif
118931	2014-07-03	cif/ Adding structures of 7031550, 7031551, 7031552 via cif-deposit CGI script.	7031551.cif