Crystallography Open Database

Information card for entry 7019472

7019471 << 7019472 >> 7019473

Preview

Coordinates	7019472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H29 Mn N3 O4 P2 S4
Calculated formula	C20 H29 Mn N3 O4 P2 S4
Title of publication	Complexes with 3-(pyridin-2-yl)imidazo[1,5-a]pyridine ligands by spontaneous dimerization of pyridine-2-carboxaldehyde within the coordination sphere of manganese(ii) in a one-pot reaction.
Authors of publication	Alvarez, Celedonio M.; Alvarez-Miguel, Lucía; García-Rodríguez, Raúl; Miguel, Daniel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	23
Pages of publication	7041 - 7046
a	10.5548 ± 0.0004 Å
b	17.5085 ± 0.0004 Å
c	16.3988 ± 0.0004 Å
α	90°
β	108.219 ± 0.003°
γ	90°
Cell volume	2878.55 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.11
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179898 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94.	7019472.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019472.cif
62880	2012-07-09	cif/ Adding structures of 7019472, 7019473, 7019474, 7019475, 7019476 via cif-deposit CGI script.	7019472.cif