Crystallography Open Database

Information card for entry 8102863

Preview

Coordinates	8102863.cif

Structure parameters

Chemical name	Mn(II) Coordination polymer based on 1,3-Di(4-pyridyl) Propane and 4-Amino-o-phthalic acid
Formula	C42 H44 Mn N6 O10
Calculated formula	C42 H44 Mn N6 O10
Title of publication	Crystal structure of diaquabis[1,3-di(4-pyridyl)propane]manganese(II) bis(hydrogen 4-amino-o-phthalate), [Mn(H2O)2(C13H14N2)2](C8H6O4N)2
Authors of publication	Ling-Yun Xin; Guang-Zhen Liu; Xiao-Ling Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	4
Pages of publication	739
a	13.616 ± 0.003 Å
b	16.315 ± 0.004 Å
c	18.529 ± 0.004 Å
α	90°
β	91.739 ± 0.003°
γ	90°
Cell volume	4114.2 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	2.161
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102863.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102863.cif
13602	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102863 via cif-deposit CGI script.	8102863.cif