Crystallography Open Database

Information card for entry 2234837

Preview

Coordinates	2234837.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[μ-(1-ammonioethane-1,1- diyl)bis(hydrogenphosphonato)]diaquachloridodisodium]
Formula	C2 H12 Cl N Na2 O8 P2
Calculated formula	C2 H12 Cl N Na2 O8 P2
SMILES	C([NH3+])(P(=O)([O-])O)(C)P(=O)([O-])O.[Cl-].[Na+].[Na+].O.O
Title of publication	Poly[[μ-(1-ammonioethane-1,1-diyl)bis(hydrogenphosphonato)]diaquachloridodisodium]: a powder X-ray diffraction study
Authors of publication	Rukiah, Mwaffak; Assaad, Thaer
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	5
Pages of publication	m699 - m700
a	5.53806 ± 0.00004 Å
b	10.50365 ± 0.00008 Å
c	10.2096 ± 0.0001 Å
α	90°
β	104.076 ± 0.0007°
γ	90°
Cell volume	576.058 ± 0.008 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Goodness-of-fit parameter for all reflections	1.33
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
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.	2234837.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2234837.cif
60343	2012-06-14	cif/ Adding structures of 2234837 via cif-deposit CGI script.	2234837.cif