Crystallography Open Database

Information card for entry 2241498

Preview

Coordinates	2241498.cif
Structure factors	2241498.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(μ-2-benzoylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate)
Formula	C68 H50 Cl2 Mn2 N8 O14
Calculated formula	C68 H50 Cl2 Mn2 N8 O14
SMILES	[n]12ccccc1c1cccc[n]1[Mn]132([O]=C(O[Mn]24([n]5ccccc5c5cccc[n]25)([n]2ccccc2c2[n]4cccc2)[O]=C(O3)c2ccccc2C(=O)c2ccccc2)c2ccccc2C(=O)c2ccccc2)[n]2ccccc2c2cccc[n]12.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Crystal structure of bis(μ-2-benzoylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate)
Authors of publication	Kani, Ibrahim
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	m265 - m266
a	13.348 ± 0.004 Å
b	17.136 ± 0.005 Å
c	14.499 ± 0.004 Å
α	90°
β	111.321 ± 0.01°
γ	90°
Cell volume	3089.4 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.051
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
181915 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14.	2241498.cif 2241498.hkl
174749	2016-01-22	cif/ hkl/ Adding structures of 2241498 via cif-deposit CGI script.	2241498.cif 2241498.hkl