Crystallography Open Database

Information card for entry 2019234

2019233 << 2019234 >> 2019235

Preview

Coordinates	2019234.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ~3~-3-carboxy-\ 5-(carboxylatomethoxy)benzoato]manganese(II)]
Formula	C22 H20 Mn N2 O9
Calculated formula	C22 H20 Mn N2 O9
Title of publication	A two-dimensional network containing an ‒Mn—O—C—O—Mn‒ chain: poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ~3~-3-carboxy-5-(carboxylatomethoxy)benzoato]manganese(II)]
Authors of publication	Lei, Yong-Qian; Wang, Guan-Hua
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	1311 - 1313
a	9.092 ± 0.004 Å
b	29.484 ± 0.012 Å
c	9.093 ± 0.004 Å
α	90°
β	117.04 ± 0.05°
γ	90°
Cell volume	2171.1 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1199
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019234.cif
91127	2013-12-09	cif/ Adding structures of 2019234 via cif-deposit CGI script.	2019234.cif