Crystallography Open Database

Information card for entry 2005133

2005132 << 2005133 >> 2005134

Preview

Coordinates	2005133.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Aquotriglycinecerium(III) hexacyanoferrate(III) monohydrate.
Formula	C24 H38 Ce2 Fe2 N18 O16
Calculated formula	C24 H38 Ce2 Fe2 N18 O16
SMILES	[Ce]1234(OC(=O)C[NH3+])([OH2])[O](C(=[O]1)C[NH3+])[Ce]1([OH2])([O]=C(O2)C[NH3+])(OC(=[O]3)C[NH3+])([O]=C([O]14)C[NH3+])OC(=O)C[NH3+].[Fe](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Fe](C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O
Title of publication	Aqua(hexacyanoferrato-<i>N</i>)bis(μ-glycine)glycinecerium(III) Monohydrate
Authors of publication	García-Granda, S.; Morales, A. D.; Ruíz, E. R.; Fernández Bertrán, J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	7
Pages of publication	1679 - 1681
a	10.004 ± 0.003 Å
b	10.168 ± 0.002 Å
c	12.166 ± 0.004 Å
α	75.02 ± 0.03°
β	88.21 ± 0.03°
γ	61.36 ± 0.03°
Cell volume	1042.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0234
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for all reflections	0.0486
Weighted residual factors for significantly intense reflections	0.0471
Goodness-of-fit parameter for all reflections	1.083
Goodness-of-fit parameter for significantly intense reflections	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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