Crystallography Open Database

Information card for entry 4314303

Preview

Coordinates	4314303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H28 Fe2 N4 O17 P
Calculated formula	C11 H15 Fe2 N4 O17 P
Title of publication	Novel Transition Metal Oxalatophosphates with a Two-Dimensional Honeycomb Structure: (H3TREN)[M2(HPO4)(C2O4)2.5].3H2O (M = MnII and FeII, TREN = Tris(2-aminoethyl)amine)
Authors of publication	Yau-Chen Jiang; Sue-Lein Wang; Shang-Fan Lee; Kwang-Hwa Lii
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	6154 - 6156
a	8.7776 ± 0.0009 Å
b	8.9257 ± 0.0009 Å
c	15.8844 ± 0.0016 Å
α	78.63 ± 0.002°
β	84.018 ± 0.002°
γ	67.372 ± 0.002°
Cell volume	1125.6 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
179216 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/43.	4314303.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4314303.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314303.cif
7375	2011-01-14	../uploads/cif-deposit/cod/cif Adding structures of 4314303 via cif-deposit CGI script.	4314303.cif