Crystallography Open Database

Information card for entry 7113542

Preview

Coordinates	7113542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Mn N2 O4 S
Calculated formula	C14 H12 Mn N2 O4 S
Title of publication	First example of a tetra-carboxylate bridged dimanganese species
Authors of publication	Grirrane, Abdessamad; Pastor, Antonio; Galindo, Agustín; Ienco, Andrea; Mealli, Carlo; Rosa, Patrick
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	4
Pages of publication	512 - 513
a	8.018 ± 0.003 Å
b	9.104 ± 0.003 Å
c	10.484 ± 0.004 Å
α	73.86 ± 0.02°
β	72.86 ± 0.03°
γ	80.71 ± 0.03°
Cell volume	699.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0485
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103974
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210409 (current)	2018-09-04	cif/7/ Updating bibliography in entries 7103974, 7113542. Marking entry 7113542 as a duplicate of entry 7103974.	7113542.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113542.cif
115121	2014-06-02	cif/ Adding structures of 7113542 via cif-deposit CGI script.	7113542.cif