Crystallography Open Database

Information card for entry 4301608

Preview

Coordinates	4301608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9.75 H12 Co N3 O8
Calculated formula	C9.75 H12 Co N3 O8
Title of publication	Two Homometallic Antiferromagnets Based on Oxalato-Bridged Honeycomb Assemblies: (A)2[MII2(C2O4)3] (A = Ammonium Salt Derived from Diethylenetriamine; MII= Fe2+, Co2+)
Authors of publication	Zhiming Duan; Yan Zhang; Bin Zhang; Francis L. Pratt
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2140 - 2146
a	9.6924 ± 0.0002 Å
b	15.8325 ± 0.0004 Å
c	17.2995 ± 0.0004 Å
α	90°
β	95.144 ± 0.001°
γ	90°
Cell volume	2644 ± 0.11 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	0.087
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
179054 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/16.	4301608.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301608.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301608.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301608.cif