Crystallography Open Database

Information card for entry 4325033

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Coordinates	4325033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 F12 Mn N8 O8
Calculated formula	C32 H36 F12 Mn N8 O8
SMILES	C1=C(C(F)(F)F)O[Mn]2([O]=C1C(F)(F)F)([n]1cc(n(c1)C)C1=N(C(C)(C)C([N]1=O)(C)C)=O)([n]1cc(n(c1)C)C1=N(C(C)(C)C([N]1=O)(C)C)=O)OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F
Title of publication	"Jumping Crystals": Oxygen-Evolving Metal-Nitroxide Complexes
Authors of publication	Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4307 - 4312
a	7.129 ± 0.002 Å
b	11.486 ± 0.003 Å
c	13.172 ± 0.004 Å
α	101.487 ± 0.006°
β	100.017 ± 0.006°
γ	100.319 ± 0.006°
Cell volume	1015 ± 0.5 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1352
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.18
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
179353 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50.	4325033.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325033.cif
43485	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325033 via cif-deposit CGI script.	4325033.cif