Crystallography Open Database

Information card for entry 4074204

Preview

Coordinates	4074204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Mn N2 O4
Calculated formula	C15 H13 Mn N2 O4
SMILES	[Mn]1([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])(C#[O])COC
Title of publication	Synthesis and Reactivity of New (Methoxy)methyl Complexes of Manganese(I) and Rhenium(I)
Authors of publication	Hevia, Eva; Miguel, Daniel; Pérez, Julio; Riera, Víctor
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	20
Pages of publication	4909
a	6.9674 ± 0.0007 Å
b	8.5023 ± 0.0008 Å
c	14.1923 ± 0.0013 Å
α	74.046 ± 0.002°
β	81.882 ± 0.002°
γ	69.172 ± 0.002°
Cell volume	754.64 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0359
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
178631 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42.	4074204.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074204.cif
48248	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074204 via cif-deposit CGI script.	4074204.cif