catena-Poly[[diaqua-manganese(II)]-μ-pyridine-2,4,6-tricarboxyl-ato-κN,O,O:O,O].

In the title compound, [Mn(C(8)H(2)NO(6))(H(2)O)(2)](n), each pyridine-2,4,6-tricarboxyl-ate (tpc) ligand bridges two Mn(II) ions with the formation of polymeric chains located on a twofold rotation axis. Each Mn(II) ion is coordinated by two O and one N atoms from one tpc ligand, two O atoms from another ligand and two water mol-ecules in a distorted penta-gonal-bipyramidal geometry. The Mn-N [2.243 (2) Å] and Mn-O [2.206 (2)-2.3123 (16) Å] bond lengths are normal. The coordinated water mol-ecules link neighbouring polymeric chains via O-H⋯O hydrogen bonds into a two-dimensional framework parallel to the bc plane.

Related literature

For the structures and potential applications of inorganic–organic hybrid coordination polymers, see: Evans & Lin (2002 ▶); Gao et al. (2005 ▶); Kil & Myunghyun (2000 ▶). For the structures and properties of compounds containing pyridine-2,4,6-tricarboxylicate, see: Mehmet et al. (2006 ▶); Moulton & Zaworotko (2001 ▶); Sujit et al. (2004 ▶); Syper et al. (1980 ▶).

Experimental

Crystal data

[Mn(C8H2NO6)(H2O)2]

M = 299.08

Monoclinic,

a = 11.406 (2) Å

b = 9.1463 (18) Å

c = 10.155 (2) Å

β = 107.76 (3)°

V = 1008.9 (3) Å3

Z = 4

Mo Kα radiation

μ = 1.35 mm−1

T = 293 (2) K

0.15 × 0.05 × 0.05 mm

Data collection

Rigaku Mercury2 diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku, 2005 ▶) T min = 0.874, T max = 1.000 (expected range = 0.817–0.935)

5072 measured reflections

1155 independent reflections

1109 reflections with I > 2σ(I)

R int = 0.023

Refinement

R[F 2 > 2σ(F 2)] = 0.030

wR(F 2) = 0.089

S = 1.01

1155 reflections

84 parameters

H-atom parameters constrained

Δρmax = 0.45 e Å−3

Δρmin = −0.49 e Å−3

Data collection: CrystalClear (Rigaku, 2005 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: SHELXTL (Sheldrick, 1999 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807058102/cv2352sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807058102/cv2352Isup2.hkl

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

[Mn(C8H2NO6)(H2O)2]	F(000) = 600
Mr = 299.08	Dx = 1.969 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 5380 reflections
a = 11.406 (2) Å	θ = 3.2–27.5°
b = 9.1463 (18) Å	µ = 1.35 mm−1
c = 10.155 (2) Å	T = 293 K
β = 107.76 (3)°	Block, colorless
V = 1008.9 (3) Å3	0.15 × 0.05 × 0.05 mm
Z = 4

Rigaku Mercury2 diffractometer	1155 independent reflections
Radiation source: fine-focus sealed tube	1109 reflections with I > 2σ(I)
graphite	Rint = 0.023
Detector resolution: 13.6612 pixels mm-1	θmax = 27.5°, θmin = 3.2°
ω scans	h = −14→14
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	k = −11→11
Tmin = 0.874, Tmax = 1.000	l = −13→13
5072 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.030	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.089	H-atom parameters constrained
S = 1.01	w = 1/[σ2(Fo2) + (0.0473P)2 + 2.4P] where P = (Fo2 + 2Fc2)/3
1155 reflections	(Δ/σ)max < 0.001
84 parameters	Δρmax = 0.45 e Å−3
0 restraints	Δρmin = −0.49 e Å−3

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 > σ(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.

	x	y	z	Uiso*/Ueq
Mn1	0.0000	0.57159 (4)	0.2500	0.02459 (17)
O1	−0.06002 (17)	0.34882 (16)	0.31586 (18)	0.0349 (4)
O1W	−0.14376 (17)	0.58998 (18)	0.04818 (18)	0.0365 (4)
H1WB	−0.2176	0.5432	0.0532	0.055*
H1WC	−0.1160	0.5432	−0.0215	0.055*
O3	0.20027 (14)	−0.15346 (16)	0.04948 (16)	0.0281 (3)
O4	0.13754 (15)	−0.34426 (15)	0.14530 (17)	0.0291 (4)
N1	0.0000	−0.1832 (2)	0.2500	0.0195 (5)
C1	0.0000	0.2830 (3)	0.2500	0.0239 (6)
C2	0.0000	0.1182 (3)	0.2500	0.0192 (5)
C3	0.07379 (18)	0.0412 (2)	0.1868 (2)	0.0201 (4)
H3A	0.1239	0.0901	0.1441	0.024*
C4	0.07040 (17)	−0.1104 (2)	0.18927 (19)	0.0187 (4)
C5	0.14191 (18)	−0.2120 (2)	0.1247 (2)	0.0206 (4)

	U11	U22	U33	U12	U13	U23
Mn1	0.0370 (3)	0.0115 (2)	0.0320 (3)	0.000	0.0205 (2)	0.000
O1	0.0548 (10)	0.0144 (7)	0.0455 (9)	0.0032 (6)	0.0302 (8)	−0.0026 (6)
O1W	0.0445 (10)	0.0296 (8)	0.0384 (9)	−0.0064 (7)	0.0174 (8)	−0.0046 (7)
O3	0.0368 (8)	0.0203 (7)	0.0383 (8)	−0.0020 (6)	0.0280 (7)	−0.0003 (6)
O4	0.0412 (8)	0.0149 (7)	0.0425 (9)	0.0005 (6)	0.0293 (7)	−0.0012 (6)
N1	0.0271 (11)	0.0121 (10)	0.0246 (11)	0.000	0.0159 (9)	0.000
C1	0.0344 (15)	0.0116 (12)	0.0267 (13)	0.000	0.0111 (11)	0.000
C2	0.0263 (13)	0.0115 (11)	0.0219 (12)	0.000	0.0104 (10)	0.000
C3	0.0262 (9)	0.0144 (8)	0.0245 (9)	−0.0017 (7)	0.0151 (8)	0.0001 (7)
C4	0.0237 (9)	0.0148 (9)	0.0217 (9)	0.0001 (7)	0.0130 (7)	−0.0009 (7)
C5	0.0243 (9)	0.0169 (9)	0.0247 (9)	0.0001 (7)	0.0138 (7)	−0.0029 (7)

Mn1—O1Wi	2.206 (2)	O4—Mn1iv	2.2807 (15)
Mn1—O1W	2.206 (2)	N1—C4i	1.331 (2)
Mn1—N1ii	2.243 (2)	N1—C4	1.331 (2)
Mn1—O4iii	2.2807 (15)	N1—Mn1iv	2.243 (2)
Mn1—O4ii	2.2807 (15)	C1—O1i	1.248 (2)
Mn1—O1	2.3123 (16)	C1—C2	1.507 (4)
Mn1—O1i	2.3123 (16)	C2—C3i	1.395 (2)
O1—C1	1.248 (2)	C2—C3	1.395 (2)
O1W—H1WB	0.9600	C3—C4	1.387 (3)
O1W—H1WC	0.9600	C3—H3A	0.9300
O3—C5	1.274 (2)	C4—C5	1.511 (2)
O4—C5	1.232 (2)
O1Wi—Mn1—O1W	171.25 (9)	Mn1—O1W—H1WB	109.4
O1Wi—Mn1—N1ii	85.63 (4)	Mn1—O1W—H1WC	109.4
O1W—Mn1—N1ii	85.63 (4)	H1WB—O1W—H1WC	109.5
O1Wi—Mn1—O4iii	87.89 (7)	C5—O4—Mn1iv	118.68 (12)
O1W—Mn1—O4iii	89.16 (7)	C4i—N1—C4	119.9 (2)
N1ii—Mn1—O4iii	70.28 (4)	C4i—N1—Mn1iv	120.03 (11)
O1Wi—Mn1—O4ii	89.16 (7)	C4—N1—Mn1iv	120.03 (11)
O1W—Mn1—O4ii	87.89 (7)	O1—C1—O1i	122.3 (3)
N1ii—Mn1—O4ii	70.28 (4)	O1—C1—C2	118.85 (13)
O4iii—Mn1—O4ii	140.55 (7)	O1i—C1—C2	118.85 (13)
O1Wi—Mn1—O1	90.01 (6)	C3i—C2—C3	119.3 (2)
O1W—Mn1—O1	97.71 (6)	C3i—C2—C1	120.33 (12)
N1ii—Mn1—O1	151.78 (4)	C3—C2—C1	120.33 (12)
O4iii—Mn1—O1	81.72 (5)	C4—C3—C2	118.18 (17)
O4ii—Mn1—O1	137.62 (5)	C4—C3—H3A	120.9
O1Wi—Mn1—O1i	97.71 (6)	C2—C3—H3A	120.9
O1W—Mn1—O1i	90.01 (6)	N1—C4—C3	122.19 (17)
N1ii—Mn1—O1i	151.78 (4)	N1—C4—C5	112.04 (16)
O4iii—Mn1—O1i	137.62 (5)	C3—C4—C5	125.77 (16)
O4ii—Mn1—O1i	81.72 (5)	O4—C5—O3	124.75 (17)
O1—Mn1—O1i	56.44 (8)	O4—C5—C4	118.36 (17)
C1—O1—Mn1	90.64 (14)	O3—C5—C4	116.86 (16)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WB···O3v	0.96	2.02	2.853 (2)	144
O1W—H1WC···O1vi	0.96	2.18	2.858 (2)	127
O1W—H1WC···O4vii	0.96	2.18	3.000 (2)	142

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WB⋯O3i	0.96	2.02	2.853 (2)	144
O1W—H1WC⋯O1ii	0.96	2.18	2.858 (2)	127
O1W—H1WC⋯O4iii	0.96	2.18	3.000 (2)	142

Symmetry codes: (i) ; (ii) ; (iii) .