Diammonium diaqua-bis(methyl-enediphospho-nato-κO,O')cobaltate(II).

In the salt, (NH(4))(2)[Co(CH(4)O(6)P(2))(2)(H(2)O)(2)], the methyl-ene-diphospho-nate acts as a bidentate ligand and the Co(II) ion (site symmetry ) assumes an octa-hedral CoO(6) coordination geometry. The acid H atom of the ligand is distributed over two O atoms. In the crystal, a three-dimensional network is formed through O-H⋯O and N-H⋯O hydrogen bonds between the cations and anions.

Related literature

For related structures, see: DeLaMatter et al. (1973 ▶); Jurisson et al. (1983 ▶); Barthelet et al. (2002 ▶); Stahl et al. (2006 ▶).

Experimental

Crystal data

(NH4)2[Co(CH4O6P2)2(H2O)2]

M = 479.01

Triclinic,

a = 7.455 (5) Å

b = 7.560 (5) Å

c = 8.035 (5) Å

α = 88.282 (5)°

β = 62.450 (5)°

γ = 71.834 (5)°

V = 378.0 (4) Å3

Z = 1

Mo Kα radiation

μ = 1.63 mm−1

T = 103 K

0.28 × 0.16 × 0.11 mm

Data collection

Bruker SMART diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.739, T max = 0.830

8419 measured reflections

1875 independent reflections

1735 reflections with I > 2σ(I)

R int = 0.029

Refinement

R[F 2 > 2σ(F 2)] = 0.026

wR(F 2) = 0.097

S = 1.23

1875 reflections

134 parameters

6 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.58 e Å−3

Δρmin = −0.48 e Å−3

Data collection: SMART (Bruker, 2004 ▶); cell refinement: SAINT (Bruker, 2004 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenberg & Putz, 2005 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809042159/ng2665sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809042159/ng2665Isup2.hkl

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

(NH4)2[Co(CH4O6P2)2(H2O)2]	Z = 1
Mr = 479.01	F(000) = 237
Triclinic, P1	Dx = 2.069 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71069 Å
a = 7.455 (5) Å	Cell parameters from 4649 reflections
b = 7.560 (5) Å	θ = 3.2–28.3°
c = 8.035 (5) Å	µ = 1.63 mm−1
α = 88.282 (5)°	T = 103 K
β = 62.450 (5)°	Rod, pink
γ = 71.834 (5)°	0.28 × 0.16 × 0.11 mm
V = 378.0 (4) Å3

Bruker SMART diffractometer	1875 independent reflections
Radiation source: sealed tube	1735 reflections with I > 2σ(I)
graphite	Rint = 0.029
φ and ω scans	θmax = 28.4°, θmin = 3.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −9→9
Tmin = 0.739, Tmax = 0.830	k = −9→10
8419 measured reflections	l = −10→9

Refinement on F2	6 restraints
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.026	w = 1/[σ2(Fo2) + (0.0501P)2 + 0.4031P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.097	(Δ/σ)max < 0.001
S = 1.23	Δρmax = 0.58 e Å−3
1875 reflections	Δρmin = −0.48 e Å−3
134 parameters

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.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Co1	0.5	0	1	0.00601 (14)
P1	0.79673 (9)	0.26243 (8)	0.74506 (8)	0.00547 (16)
P2	0.40236 (9)	0.26654 (8)	0.71287 (8)	0.00548 (15)
C1	0.5577 (4)	0.3956 (3)	0.7338 (3)	0.0069 (4)
H51	0.4658	0.487	0.847	0.008*
H61	0.5984	0.465	0.6264	0.008*
O2	0.3230 (3)	0.1616 (2)	0.8790 (2)	0.0082 (3)
O3	0.7476 (3)	0.1227 (2)	0.8847 (2)	0.0079 (3)
O6	0.5476 (3)	0.1357 (2)	0.5238 (2)	0.0103 (4)
H6A	0.4935	0.058	0.5191	0.016*	0.5
O1	0.3253 (3)	0.2144 (3)	1.2321 (2)	0.0101 (4)
N1	0.8609 (4)	0.1904 (3)	0.1800 (3)	0.0114 (4)
O7	0.2170 (3)	0.4231 (2)	0.7030 (2)	0.0092 (3)
H7	0.1063	0.3971	0.7569	0.014*	0.5
O5	0.9736 (3)	0.1640 (2)	0.5452 (2)	0.0091 (3)
H5A	0.9708	0.0583	0.5301	0.014*	0.5
O4	0.8575 (3)	0.4110 (2)	0.8125 (2)	0.0083 (3)
H4	0.9866	0.3715	0.7787	0.013*	0.5
H1N	0.860 (5)	0.298 (3)	0.197 (4)	0.010 (8)*
H2N	0.779 (5)	0.165 (6)	0.282 (4)	0.029 (10)*
H3N	0.984 (3)	0.121 (4)	0.149 (5)	0.020 (9)*
H4N	0.829 (6)	0.175 (5)	0.098 (4)	0.020 (9)*
H1A	0.233 (5)	0.201 (5)	1.334 (3)	0.020 (9)*
H1B	0.274 (6)	0.323 (3)	1.212 (5)	0.027 (10)*

	U11	U22	U33	U12	U13	U23
Co1	0.0060 (2)	0.0058 (2)	0.0061 (2)	−0.00256 (17)	−0.00242 (18)	0.00160 (16)
P1	0.0050 (3)	0.0051 (3)	0.0066 (3)	−0.0025 (2)	−0.0026 (2)	0.0016 (2)
P2	0.0056 (3)	0.0052 (3)	0.0062 (3)	−0.0025 (2)	−0.0028 (2)	0.0017 (2)
C1	0.0074 (11)	0.0060 (10)	0.0083 (10)	−0.0026 (8)	−0.0043 (9)	0.0013 (8)
O2	0.0077 (8)	0.0087 (8)	0.0093 (8)	−0.0042 (6)	−0.0043 (7)	0.0044 (6)
O3	0.0071 (8)	0.0083 (8)	0.0087 (8)	−0.0038 (6)	−0.0036 (6)	0.0034 (6)
O6	0.0115 (9)	0.0112 (8)	0.0081 (8)	−0.0071 (7)	−0.0023 (7)	−0.0008 (6)
O1	0.0107 (9)	0.0075 (8)	0.0085 (8)	−0.0032 (7)	−0.0017 (7)	0.0011 (6)
N1	0.0107 (11)	0.0102 (10)	0.0108 (10)	−0.0006 (8)	−0.0051 (9)	0.0010 (8)
O7	0.0077 (8)	0.0076 (8)	0.0147 (9)	−0.0033 (6)	−0.0069 (7)	0.0055 (6)
O5	0.0086 (8)	0.0067 (8)	0.0083 (8)	−0.0033 (6)	−0.0006 (6)	−0.0003 (6)
O4	0.0056 (8)	0.0087 (8)	0.0113 (8)	−0.0026 (6)	−0.0042 (7)	0.0002 (6)

Co1—O2	2.0714 (18)	P2—C1	1.793 (2)
Co1—O2i	2.0714 (18)	C1—H51	0.97
Co1—O1i	2.102 (2)	C1—H61	0.97
Co1—O1	2.102 (2)	O6—H6A	0.82
Co1—O3i	2.135 (2)	O1—H1A	0.819 (18)
Co1—O3	2.135 (2)	O1—H1B	0.835 (19)
P1—O3	1.5166 (18)	N1—H1N	0.825 (18)
P1—O4	1.5304 (19)	N1—H2N	0.825 (18)
P1—O5	1.5403 (19)	N1—H3N	0.821 (18)
P1—C1	1.795 (3)	N1—H4N	0.821 (18)
P2—O2	1.5032 (18)	O7—H7	0.82
P2—O6	1.5363 (19)	O5—H5A	0.82
P2—O7	1.5469 (19)	O4—H4	0.82
O2—Co1—O2i	180	O2—P2—C1	111.74 (11)
O2—Co1—O1i	92.53 (8)	O6—P2—C1	106.30 (11)
O2i—Co1—O1i	87.47 (8)	O7—P2—C1	102.44 (12)
O2—Co1—O1	87.47 (8)	P2—C1—P1	116.96 (14)
O2i—Co1—O1	92.53 (8)	P2—C1—H51	108.1
O1i—Co1—O1	180.0000 (10)	P1—C1—H51	108.1
O2—Co1—O3i	84.72 (8)	P2—C1—H61	108.1
O2i—Co1—O3i	95.28 (8)	P1—C1—H61	108.1
O1i—Co1—O3i	88.91 (8)	H51—C1—H61	107.3
O1—Co1—O3i	91.09 (8)	P2—O2—Co1	126.71 (11)
O2—Co1—O3	95.28 (8)	P1—O3—Co1	133.61 (10)
O2i—Co1—O3	84.72 (8)	P2—O6—H6A	109.5
O1i—Co1—O3	91.09 (8)	Co1—O1—H1A	121 (2)
O1—Co1—O3	88.91 (8)	Co1—O1—H1B	117 (3)
O3i—Co1—O3	180.00 (7)	H1A—O1—H1B	106 (4)
O3—P1—O4	111.68 (11)	H1N—N1—H2N	108 (4)
O3—P1—O5	111.77 (11)	H1N—N1—H3N	105 (3)
O4—P1—O5	110.47 (11)	H2N—N1—H3N	108 (4)
O3—P1—C1	109.61 (11)	H1N—N1—H4N	114 (3)
O4—P1—C1	103.92 (11)	H2N—N1—H4N	111 (4)
O5—P1—C1	109.08 (11)	H3N—N1—H4N	110 (3)
O2—P2—O6	112.62 (11)	P2—O7—H7	109.5
O2—P2—O7	112.39 (10)	P1—O5—H5A	109.5
O6—P2—O7	110.73 (11)	P1—O4—H4	109.5

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···O5ii	0.82 (2)	1.99 (2)	2.795 (3)	166 (4)
O1—H1B···O4iii	0.84 (2)	1.99 (2)	2.827 (3)	175 (4)
N1—H1N···O7iv	0.83 (2)	2.09 (2)	2.892 (3)	166 (3)
N1—H2N···O6	0.83 (2)	1.98 (2)	2.796 (3)	171 (4)
N1—H3N···O3v	0.82 (2)	2.17 (2)	2.959 (3)	161 (3)
N1—H4N···O3vi	0.82 (2)	2.15 (2)	2.966 (3)	177 (3)
O6—H6A···O6vii	0.82	1.66	2.463 (4)	165
O7—H7···O4viii	0.82	1.66	2.435 (3)	156

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1A⋯O5i	0.819 (18)	1.99 (2)	2.795 (3)	166 (4)
O1—H1B⋯O4ii	0.835 (19)	1.994 (19)	2.827 (3)	175 (4)
N1—H1N⋯O7iii	0.825 (18)	2.09 (2)	2.892 (3)	166 (3)
N1—H2N⋯O6	0.825 (18)	1.98 (2)	2.796 (3)	171 (4)
N1—H3N⋯O3iv	0.821 (18)	2.17 (2)	2.959 (3)	161 (3)
N1—H4N⋯O3v	0.821 (18)	2.146 (19)	2.966 (3)	177 (3)
O6—H6A⋯O6vi	0.82	1.66	2.463 (4)	165
O7—H7⋯O4vii	0.82	1.66	2.435 (3)	156

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .