Crystallography Open Database

Information card for entry 2241197

Preview

Coordinates	2241197.cif
Structure factors	2241197.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetraaqua(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(μ-trimethylacetato)tetramanganese(III)sodiumyttrium‒dimethylformamide‒water (1/8.04/0.62)
Formula	C72.85 H118.75 Mn4 N12.29 Na O32.66 Y
Calculated formula	C72.855 H118.747 Mn4 N12.285 Na O32.661 Y
Title of publication	Crystal structure of tetraaqua(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(μ-trimethylacetato)tetramanganese(III)sodiumyttrium‒dimethylformamide‒water (1/8.04/0.62)
Authors of publication	Travis, Jordan R.; Zeller, Matthias; Zaleski, Curtis M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	1300 - 1306
a	14.8659 ± 0.0009 Å
b	17.3261 ± 0.001 Å
c	19.2709 ± 0.0011 Å
α	83.488 ± 0.003°
β	82.499 ± 0.003°
γ	72.805 ± 0.003°
Cell volume	4686.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1421
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181912 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11.	2241197.cif 2241197.hkl
164420	2015-10-10	cif/ hkl/ Adding structures of 2241197 via cif-deposit CGI script.	2241197.cif 2241197.hkl