Crystallography Open Database

Information card for entry 8103350

Preview

Coordinates	8103350.cif

Structure parameters

Formula	C14 H16 Fe N2 O6
Calculated formula	C14 H16 Fe N2 O6
Title of publication	Crystal structure of catena-(trans-diaqua)-di(m-3-pyridinylacetato-k2N:O)iron(II), Fe(C7H6NO2)(H2O)2
Authors of publication	Peng Gao; Zhong-Jing Huang; Li-Ying Nong; Xia-Min Tang; Gui-Yan Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	2
Pages of publication	201
a	9.122 ± 0.008 Å
b	8.625 ± 0.008 Å
c	9.544 ± 0.008 Å
α	90°
β	105.968 ± 0.019°
γ	90°
Cell volume	721.9 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0677
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103350.cif
176728	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.	8103350.cif
62111	2012-07-07	cif/ Adding structures of 8103350 via cif-deposit CGI script.	8103350.cif