Crystallography Open Database

Information card for entry 2238725

Preview

Coordinates	2238725.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Rubidium pentaaqua(<i>L</i>-serine)cobalt(II) hexahydrogenhexamolybdocobaltate(III) <i>L</i>-serine monosolvate decahydrate
Formula	C6 H50 Co2 Mo6 N2 O45 Rb
Calculated formula	C6 H14 Co2 Mo6 N2 O45 Rb
SMILES	[Mo]123(=O)(=O)O[Mo]45(=O)(=O)O[Mo]67(=O)(=O)O[Mo]89(=O)(=O)O[Mo]%10%11(=O)(=O)O[Mo]%12(=O)(=O)(O1)[O]%10[Co]([O]2%12)([O]34)([O]56)([O]78)[O]9%11.[Rb+].[Co](OC(=O)[C@@H]([NH3+])CO)([OH2])([OH2])([OH2])([OH2])[OH2].O=C([O-])[C@@H]([NH3+])CO.O.O.O.O.O.O.O.O.O.O
Title of publication	Rubidium pentaaqua(<small>L</small>-serine)cobalt(II) hexahydrogenhexamolybdocobaltate(III) <small>L</small>-serine monosolvate decahydrate
Authors of publication	Iijima, Jun; Naruke, Haruo; Takiyama, Hiroshi
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m612 - m613
a	10.8411 ± 0.0005 Å
b	11.5923 ± 0.0004 Å
c	34.8078 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4374.4 ± 0.3 Å³
Cell temperature	183 K
Ambient diffraction temperature	183 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238725.cif
91133	2013-12-09	cif/ Adding structures of 2238725 via cif-deposit CGI script.	2238725.cif