Crystallography Open Database

Information card for entry 7210373

Preview

Coordinates	7210373.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-bis(Benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)
Formula	C32 H34 Mn N4 O4
Calculated formula	C32 H34 Mn N4 O4
SMILES	[Mn]12([O]=C(c3ccccc3)C=C(O1)C)([O]=C(c1ccccc1)C=C(O2)C)([n]1cc(ccc1N)C)[n]1cc(ccc1N)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	10.161 ± 0.0004 Å
b	12.6475 ± 0.0005 Å
c	12.9842 ± 0.0006 Å
α	85.849 ± 0.004°
β	73.618 ± 0.004°
γ	74.865 ± 0.004°
Cell volume	1545.34 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0769
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1495
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	7210373.cif
87608	2013-08-27	cif/ Adding structures of 7210367, 7210368, 7210369, 7210370, 7210371, 7210372, 7210373, 7210374 via cif-deposit CGI script.	7210373.cif