Crystallography Open Database

Information card for entry 1517061

Preview

Coordinates	1517061.cif

Structure parameters

Formula	C20 H18 Mn N2 O6 P2
Calculated formula	C20 H18 Mn N2 O6 P2
Title of publication	Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands
Authors of publication	Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	46 - 59
a	10.5123 ± 0.0007 Å
b	14.6743 ± 0.0009 Å
c	12.6219 ± 0.0008 Å
α	90°
β	104.601 ± 0.001°
γ	90°
Cell volume	1884.2 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.032
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1517061.cif
119970	2014-07-10	cif/ Adding structures of 1517061 via cif-deposit CGI script.	1517061.cif