Crystallography Open Database

Information card for entry 2241643

Preview

Structure parameters

Chemical name	<i>trans</i>-Diaquabis(nicotinamide-κ<i>N</i>^1^)bis(4-nitrobenzoato-κ<i>O</i>)manganese(II)
Formula	C26 H24 Mn N6 O12
Calculated formula	C26 H24 Mn N6 O12
SMILES	C(=O)(c1ccc(cc1)N(=O)=O)O[Mn]([n]1cc(ccc1)C(=O)N)([n]1cc(ccc1)C(=O)N)(OC(=O)c1ccc(cc1)N(=O)=O)([OH2])[OH2]
Title of publication	Crystal structure of <i>trans</i>-diaquabis(nicotinamide-κ<i>N</i>^1^)bis(4-nitrobenzoato-κ<i>O</i>)manganese(II)
Authors of publication	Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Tonbul, Ali Murat; Dilek, Nefise; Hökelek, Tuncer
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	5
Pages of publication	656 - 658
a	7.6051 ± 0.0003 Å
b	10.0027 ± 0.0004 Å
c	10.2152 ± 0.0004 Å
α	78.067 ± 0.003°
β	88.43 ± 0.004°
γ	71.746 ± 0.003°
Cell volume	721.45 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0601
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1753
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.167
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181994 (current)	2016-04-09	cif/ hkl/ Adding structures of 2241643 via cif-deposit CGI script.	2241643.cif 2241643.hkl