Crystallography Open Database

Information card for entry 7210372

Preview

Coordinates	7210372.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)
Formula	C32 H34 Mn N4 O4
Calculated formula	C32 H34 Mn N4 O4
SMILES	CC1=CC(c2ccccc2)=[O][Mn]2([n]3cc(ccc3N)C)(O1)([n]1cc(ccc1N)C)OC(=CC(c1ccccc1)=[O]2)C
Title of publication	Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives
Authors of publication	Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	33
Pages of publication	6585
a	7.3129 ± 0.0016 Å
b	8.752 ± 0.002 Å
c	24.543 ± 0.007 Å
α	90°
β	90.83 ± 0.02°
γ	90°
Cell volume	1570.6 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	0.832
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
180434 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03.	7210372.cif
87608	2013-08-27	cif/ Adding structures of 7210367, 7210368, 7210369, 7210370, 7210371, 7210372, 7210373, 7210374 via cif-deposit CGI script.	7210372.cif