Crystallography Open Database

Information card for entry 2238653

Preview

Coordinates	2238653.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>m</i>-Xylylenediaminium diaquabis[dihydrogen diphosphato(2-)]cobaltate(II) dihydrate
Formula	C8 H26 Co N2 O18 P4
Calculated formula	C8 H26 Co N2 O18 P4
SMILES	c1(cccc(c1)C[NH3+])C[NH3+].O1P(=O)(O)OP(=O)(O[Co]21([OH2])(OP(=O)(O)OP(=O)(O2)O)[OH2])O.O.O
Title of publication	<i>m</i>-Xylylenediaminium diaquabis[dihydrogen diphosphato(2{-})]cobaltate(II) dihydrate
Authors of publication	Elboulali, Adel; Akriche, Samah; Rzaigui, Mohamed
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	m545 - m546
a	11.933 ± 0.002 Å
b	9.132 ± 0.004 Å
c	21.441 ± 0.003 Å
α	90°
β	101.2 ± 0.02°
γ	90°
Cell volume	2292 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.56087 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2238653.cif
89602	2013-11-06	cif/ Adding structures of 2238653 via cif-deposit CGI script.	2238653.cif