Crystallography Open Database

Information card for entry 7031552

Preview

Coordinates	7031552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H13 Mn N2 O9.5
Calculated formula	C5 H13 Mn N2 O9.5
SMILES	[Mn]1([OH2])([OH2])([OH2])([OH2])OC(=O)c2cc(C(=O)[O-])[nH][n]12.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	20.318 ± 0.004 Å
b	11.781 ± 0.003 Å
c	9.576 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2292.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0375
Weighted residual factors for all reflections included in the refinement	0.0404
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7031552.cif
118931	2014-07-03	cif/ Adding structures of 7031550, 7031551, 7031552 via cif-deposit CGI script.	7031552.cif