Crystallography Open Database

Information card for entry 4331893

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Coordinates	4331893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 N6 O9 Zn
Calculated formula	C8 H18 N6 O8 Zn
Title of publication	Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)
Authors of publication	Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	9
Pages of publication	3549 - 3556
a	16.1337 ± 0.0005 Å
b	16.1337 ± 0.0005 Å
c	11.646 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3031.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
189196 (current)	2016-12-18	cif/4/33/ (antanas@kurmis) Marking attached hydrogen atoms in entries 4331888, 4331889, 4331890, 4331891, 4331892, 4331893.	4331893.cif
179421	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18.	4331893.cif
97950	2014-01-29	cif/ Adding structures of 4331888, 4331889, 4331890, 4331891, 4331892, 4331893 via cif-deposit CGI script.	4331893.cif