Poly[aqua(μ-vinyl-phospho-nato)cadmium].

The title compound, [Cd(C(2)H(3)O(3)P)(H(2)O)](n), was obtained from vinyl-phospho-nic acid and cadmium nitrate. The vinyl groups project into the inter-lamellar space and the structure is held together via van der Waals forces. The Cd(2+) ion is six-coordinate and the geometry is best described as distorted octa-hedral, with O-Cd-O angles falling within the range 61.72 (13)-101.82 (14)°. Five of the coordinated oxygen atoms originate from the phospho-nate group and the sixth from a bound water molecule. Cd-O distances lie between 2.220 (3) and 2.394 (2) Å. The water mol-ecule is hydrogen bonded to a phospho-nate oxygen atom.

Related literature

For the isotypic structure of [Zn(C2H3PO3)]·H2O, see: Menaa et al. (2002 ▶). For other cadmium organo­phospho­nates, see: Cao et al. (1993 ▶); Hou et al. (2008 ▶); Bauer et al. (2007 ▶). For other metal phospho­nates, see: Brody et al. (1984 ▶); Bujoli et al. (2001 ▶, 2007 ▶); Butcher et al. (2002 ▶); Cheetham et al. (1999 ▶); Clearfield et al. (1997 ▶); Clearfiled & Wang (2002 ▶); Fan et al. (2007 ▶); Hu et al. (2003 ▶).

Experimental

Crystal data

[Cd(C2H3O3P)(H2O)]

M = 236.43

Orthorhombic,

a = 5.9020 (7) Å

b = 9.7792 (12) Å

c = 4.9901 (6) Å

V = 288.01 (6) Å3

Z = 2

Mo Kα radiation

μ = 3.99 mm−1

T = 100 K

0.12 × 0.11 × 0.01 mm

Data collection

Bruker APEX CCD area detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2008a ▶) T min = 0.656, T max = 0.956

2412 measured reflections

726 independent reflections

717 reflections with I > 2σ(I)

R int = 0.021

Refinement

R[F 2 > 2σ(F 2)] = 0.020

wR(F 2) = 0.053

S = 1.16

726 reflections

46 parameters

7 restraints

H-atom parameters constrained

Δρmax = 1.50 e Å−3

Δρmin = −0.50 e Å−3

Absolute structure: Flack (1983 ▶), 303 Friedel pairs

Flack parameter: 0.05 (5)

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT-Plus (Bruker, 2004 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b ▶); molecular graphics: XP in SHELXTL (Sheldrick, 2008b ▶) and CrystalMaker (CrystalMaker, 2010 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053681100780X/pk2298sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053681100780X/pk2298Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cd(C2H3O3P)(H2O)]	F(000) = 224
Mr = 236.43	Dx = 2.726 Mg m−3
Orthorhombic, Pmn21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac -2	Cell parameters from 2302 reflections
a = 5.9020 (7) Å	θ = 4.0–28.2°
b = 9.7792 (12) Å	µ = 3.99 mm−1
c = 4.9901 (6) Å	T = 100 K
V = 288.01 (6) Å3	Plate, colourless
Z = 2	0.12 × 0.11 × 0.01 mm

Bruker APEX CCD area detector diffractometer	726 independent reflections
Radiation source: fine-focus sealed tube	717 reflections with I > 2σ(I)
graphite	Rint = 0.021
φ and ω scans	θmax = 28.0°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 2008a)	h = −7→7
Tmin = 0.656, Tmax = 0.956	k = −12→12
2412 measured reflections	l = −6→6

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.020	H-atom parameters constrained
wR(F2) = 0.053	w = 1/[σ2(Fo2) + (0.0351P)2 + 0.0408P] where P = (Fo2 + 2Fc2)/3
S = 1.16	(Δ/σ)max = 0.001
726 reflections	Δρmax = 1.50 e Å−3
46 parameters	Δρmin = −0.49 e Å−3
7 restraints	Absolute structure: Flack (1983), 303 Friedel pairs
Primary atom site location: heavy-atom method	Flack parameter: 0.05 (5)

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against all reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2 s(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R–factors based on all data will be even larger. Atom C2 appears disordered across the mirror on the basis of its value for Uiso which is noticeably larger than that of C1. However, no satisfactory 2-site model could be devised. CCDC-784849 contains the supplementary crystallographic data for this article. These data can be obtained free of charge at http://www.ccdc.cam.ac.uk/conts/retrieving.html [or from the Cambridge Crystallographic Data Center (CCDC), 12 Union Road, Cambridge CB2 1EZ, UK; fax: +44 (0)1223–336033; email: deposit@ccdc.cam.ac.uk].

	x	y	z	Uiso*/Ueq
Cd1	0.0000	1.02972 (3)	0.10825 (10)	0.01148 (12)
P2	0.0000	0.81874 (14)	0.6776 (2)	0.0107 (2)
O1	0.0000	1.1926 (4)	−0.2266 (7)	0.0152 (7)
H1O	0.1018	1.1927	−0.3443	0.018*
O2	0.0000	0.8471 (4)	0.3805 (7)	0.0164 (8)
O3	0.2081 (4)	0.8782 (3)	0.8230 (5)	0.0132 (5)
C1	0.0000	0.6369 (6)	0.7329 (12)	0.0220 (12)
H1	0.0000	0.6182	0.9433	0.026*
C2	0.0000	0.5472 (8)	0.550 (3)	0.067 (4)
H2A	0.0000	0.4540	0.6052	0.080*
H2B	0.0000	0.5729	0.3668	0.080*

	U11	U22	U33	U12	U13	U23
Cd1	0.01300 (17)	0.01407 (18)	0.00737 (16)	0.000	0.000	−0.00103 (15)
P2	0.0131 (5)	0.0110 (5)	0.0080 (6)	0.000	0.000	0.0007 (4)
O1	0.0150 (18)	0.0198 (18)	0.0109 (17)	0.000	0.000	0.0009 (14)
O2	0.025 (2)	0.0153 (19)	0.0088 (19)	0.000	0.000	−0.0009 (15)
O3	0.0121 (12)	0.0167 (12)	0.0110 (10)	0.0003 (9)	0.0020 (10)	−0.0003 (8)
C1	0.030 (3)	0.013 (2)	0.023 (3)	0.000	0.000	0.001 (2)
C2	0.087 (7)	0.034 (4)	0.079 (8)	0.000	0.000	0.000 (4)

Cd1—O3i	2.220 (3)	P2—Cd1iv	2.9791 (13)
Cd1—O2	2.244 (4)	O1—H1O	0.8400
Cd1—O1	2.309 (4)	O3—Cd1v	2.220 (3)
Cd1—O3ii	2.394 (2)	O3—Cd1iv	2.394 (2)
Cd1—P2iii	2.9791 (13)	C1—C2	1.265 (14)
P2—O2	1.508 (4)	C1—H1	1.0659
P2—O3	1.540 (3)	C2—H2A	0.9509
P2—C1	1.799 (6)	C2—H2B	0.9500
O3i—Cd1—O3vi	101.82 (14)	O2—P2—C1	109.4 (3)
O3i—Cd1—O2	91.76 (9)	O3—P2—C1	107.50 (16)
O3i—Cd1—O1	93.98 (9)	O2—P2—Cd1iv	125.58 (17)
O2—Cd1—O1	170.89 (13)	O3—P2—Cd1iv	53.05 (10)
O3i—Cd1—O3ii	159.44 (11)	C1—P2—Cd1iv	125.0 (2)
O3vi—Cd1—O3ii	98.05 (6)	Cd1—O1—H1O	120.4
O2—Cd1—O3ii	82.37 (10)	P2—O2—Cd1	137.8 (2)
O1—Cd1—O3ii	89.82 (11)	P2—O3—Cd1v	123.01 (15)
O3vi—Cd1—O3iii	159.44 (11)	P2—O3—Cd1iv	96.01 (12)
O3ii—Cd1—O3iii	61.72 (13)	Cd1v—O3—Cd1iv	115.72 (11)
O3i—Cd1—P2iii	128.99 (7)	C2—C1—P2	125.1 (7)
O2—Cd1—P2iii	83.42 (10)	C2—C1—H1	126.2
O1—Cd1—P2iii	87.47 (10)	P2—C1—H1	108.7
O3ii—Cd1—P2iii	30.94 (6)	C1—C2—H2A	117.2
O2—P2—O3	113.18 (14)	C1—C2—H2B	120.7
O3—P2—O3vii	105.8 (2)	H2A—C2—H2B	122.1
O3—P2—O2—Cd1	−60.15 (14)	C1—P2—O3—Cd1v	112.9 (2)
O3vii—P2—O2—Cd1	60.15 (14)	Cd1iv—P2—O3—Cd1v	−126.1 (2)
O3i—Cd1—O2—P2	50.94 (7)	O2—P2—O3—Cd1iv	118.03 (17)
O3vi—Cd1—O2—P2	−50.94 (7)	O3vii—P2—O3—Cd1iv	−6.4 (2)
O3ii—Cd1—O2—P2	−148.83 (7)	C1—P2—O3—Cd1iv	−121.04 (19)
O3iii—Cd1—O2—P2	148.83 (7)	O3—P2—C1—C2	−123.27 (12)
O2—P2—O3—Cd1v	−8.0 (3)	O3vii—P2—C1—C2	123.27 (12)
O3vii—P2—O3—Cd1v	−132.49 (11)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1O···O3viii	0.84	2.12	2.916 (4)	158

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1O⋯O3i	0.84	2.12	2.916 (4)	158

Symmetry code: (i) .