Poly[μ2-aqua-[μ2-1,1′-(butane-1,4-di­yl)diimidazole]bis­(μ4-naphthalene-1,4-dicarboxyl­ato)dimanganese(II)]

Chen, Z.-Q.; Zhang, W.-Z.; Xu, Q.

doi:10.1107/S1600536808036787

metal-organic compounds

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Volume 64| Part 12| December 2008| Page m1543

doi:10.1107/S1600536808036787

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Poly[μ₂-aqua-[μ₂-1,1′-(butane-1,4-diyl)diimidazole]bis(μ₄-naphthalene-1,4-dicarboxylato)dimanganese(II)]

Zhi-Qiang Chen,^a Wen-Zhi Zhang ^a ^* and Qun Xu ^a

^aCollege of Chemistry and Chemical Engineering, Qiqihar University, Qiqihar 161006, Heilongjiang Province, People's Republic of China
^*Correspondence e-mail: zhangwenzhi1968@yahoo.com.cn

(Received 4 November 2008; accepted 8 November 2008; online 13 November 2008)

In the title compound, [Mn₂(C₁₂H₆O₄)₂(C₁₀H₁₄N₄)(H₂O)]_n or [Mn₂(1,4-ndc)₂(L)(H₂O)]_n, where 1,4-ndc is naphthalene-1,4-dicarboxylate and L is 1,1′-(butane-1,4-diyl)diimidazole, the coordination polyhedron around each Mn^II atom is distorted octahedral. The water molecule and the L ligand are situated across a twofold rotation axis. The Mn^II atoms are bridged by 1,4-ndc and L ligands, forming a three-dimensional network. O—H⋯O hydrogen bonds are observed within the network.

Related literature

For general background, see: Ma et al. (2003 ); Yang et al. (2008 ).

Experimental

Crystal data

[Mn₂(C₁₂H₆O₄)₂(C₁₀H₁₄N₄)(H₂O)]
M_r = 746.48
Monoclinic, C 2/c
a = 18.386 (2) Å
b = 14.8887 (18) Å
c = 13.9121 (17) Å
β = 126.319 (1)°
V = 3068.5 (6) Å³
Z = 4
Mo Kα radiation
μ = 0.89 mm⁻¹
T = 293 (2) K
0.31 × 0.29 × 0.23 mm

Data collection

Bruker APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1998 ) T_min = 0.754, T_max = 0.814
8475 measured reflections
3032 independent reflections
2643 reflections with I > 2σ(I)
R_int = 0.020

Refinement

R[F² > 2σ(F²)] = 0.032
wR(F²) = 0.081
S = 1.06
3032 reflections
226 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.36 e Å⁻³
Δρ_min = −0.24 e Å⁻³

Table 1
Selected bond lengths (Å)

Mn1—N1	2.2157 (17)
Mn1—O1	2.1343 (15)
Mn1—O1W	2.2085 (11)
Mn1—O2ⁱ	2.1535 (14)
Mn1—O4ⁱⁱ	2.2115 (14)
Mn1—O4ⁱⁱⁱ	2.4148 (13)
Symmetry codes: (i) $[-x+1, y, -z+{\script{3\over 2}}]$ ; (ii) $[x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (iii) $[-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1W1⋯O3ⁱⁱⁱ	0.83 (3)	1.72 (3)	2.5361 (19)	166 (3)
Symmetry code: (iii) $[-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808036787/ci2711sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808036787/ci2711Isup2.hkl

checkCIF report

Comment top

Some interesting interpenetrated or entangled metal-organic networks with bis(imidazole)-containing ligands have been documented (Yang et al., 2008). But, flexible ligands such as 1,1'-(1,4-butanediyl)bis(imidazole) (L) have not been well explored (Ma et al., 2003). In this work, we used 1,4-naphthalenedicarboxylic acid (1,4-H₂ndc) and L as linkers to obtain a new coordination polymer, [Mn₂(1,4-ndc)₂(L)(H₂O)]. We report here its crystal structure.

In the title compound, each Mn^II atom displays a distorted octahedral coordination sphere, completed by one N atom from one L ligand, four carboxylate O atoms from 1,4-ndc ligand and the O atom of the water molecule (Fig. 1). Both the water molecule and L ligand are situated across a twofold rotation axis. Two adjacent Mn^II atoms are bridged by carboxylate groups of 1,4-ndc ligands and water molecules forming a three- dimensional network containing [Mn₂(1,4-ndc)₂(H₂O)] units. The network is further strengthened by the coordination of L ligands (Fig. 2).

Related literature top

For general background, see: Ma et al. (2003); Yang et al. (2008).

Experimental top

A mixture of 1,4-H₂ndc (0.5 mmol), L (0.5 mmol), NaOH (1 mmol) and MnCl₂^.2H₂O (0.5 mmol) was suspended in 14 ml of deionized water and sealed in a 20-ml Teflon-lined autoclave. Upon heating at 413 K for 3 d, the autoclave was slowly cooled to room temperature. The crystals formed were collected, washed with deionized water and dried.

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. Part of the polymeric structure of the title compound, showing the atomic numbering scheme. Displacement ellipsoids are drawn at the 30% probability level. Symmetry codes: (i) 1-x, y, 3/2-z; (ii) 3/2-x, 1/2+y, 3/1-z; (iii) x-1/2, 1/2-y, z-1/2; (iv) -x, y, 1/2-z.
	Fig. 2. View of the three-dimensional framework of the title compound.

Poly[µ₂-aqua-[µ₂-1,1'-(butane-1,4-diyl)diimidazole]bis(µ₄-naphthalene-1,4-dicarboxylato)dimanganese(II)] top

Crystal data top

[Mn₂(C₁₂H₆O₄)₂(C₁₀H₁₄N₄)(H₂O)]	F(000) = 1528
M_r = 746.48	D_x = 1.616 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 3032 reflections
a = 18.386 (2) Å	θ = 1.1–26.1°
b = 14.8887 (18) Å	µ = 0.89 mm⁻¹
c = 13.9121 (17) Å	T = 293 K
β = 126.319 (1)°	Block, colourless
V = 3068.5 (6) Å³	0.31 × 0.29 × 0.23 mm
Z = 4

Data collection top

Bruker APEX CCD area-detector diffractometer	3032 independent reflections
Radiation source: fine-focus sealed tube	2643 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.020
ϕ and ω scans	θ_max = 26.1°, θ_min = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 1998)	h = −21→22
T_min = 0.754, T_max = 0.814	k = −17→18
8475 measured reflections	l = −17→17

Refinement top

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)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.081	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ²(F_o²) + (0.039P)² + 3.0197P] where P = (F_o² + 2F_c²)/3
3032 reflections	(Δ/σ)_max = 0.001
226 parameters	Δρ_max = 0.36 e Å⁻³
0 restraints	Δρ_min = −0.24 e Å⁻³

Crystal data top

[Mn₂(C₁₂H₆O₄)₂(C₁₀H₁₄N₄)(H₂O)]	V = 3068.5 (6) Å³
M_r = 746.48	Z = 4
Monoclinic, C2/c	Mo Kα radiation
a = 18.386 (2) Å	µ = 0.89 mm⁻¹
b = 14.8887 (18) Å	T = 293 K
c = 13.9121 (17) Å	0.31 × 0.29 × 0.23 mm
β = 126.319 (1)°

Data collection top

Bruker APEX CCD area-detector diffractometer	3032 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 1998)	2643 reflections with I > 2σ(I)
T_min = 0.754, T_max = 0.814	R_int = 0.020
8475 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.032	0 restraints
wR(F²) = 0.081	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	Δρ_max = 0.36 e Å⁻³
3032 reflections	Δρ_min = −0.24 e Å⁻³
226 parameters

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
C1	0.62201 (13)	0.35715 (13)	0.80331 (19)	0.0292 (4)
C2	0.69094 (14)	0.28719 (14)	0.82714 (18)	0.0284 (4)
C3	0.78080 (14)	0.30737 (15)	0.90435 (19)	0.0365 (5)
H3	0.7985	0.3593	0.9502	0.044*
C4	0.84703 (15)	0.25114 (16)	0.9159 (2)	0.0380 (5)
H4	0.9076	0.2671	0.9671	0.046*
C5	0.82279 (14)	0.17325 (14)	0.85222 (18)	0.0312 (5)
C6	0.89049 (15)	0.12254 (14)	0.84487 (19)	0.0340 (5)
C7	0.73108 (15)	0.14565 (14)	0.77897 (19)	0.0311 (5)
C8	0.66391 (14)	0.20353 (14)	0.76583 (18)	0.0287 (4)
C9	0.57318 (16)	0.17399 (16)	0.6942 (2)	0.0412 (5)
H9	0.5284	0.2108	0.6844	0.049*
C10	0.70427 (18)	0.06162 (16)	0.7191 (2)	0.0433 (6)
H10	0.7475	0.0238	0.7262	0.052*
C11	0.6163 (2)	0.03575 (17)	0.6515 (3)	0.0547 (7)
H11	0.5998	−0.0196	0.6132	0.066*
C12	0.55052 (19)	0.09235 (19)	0.6395 (3)	0.0562 (7)
H12	0.4905	0.0739	0.5934	0.067*
C13	0.26433 (15)	0.55518 (18)	0.4740 (2)	0.0458 (6)
H13	0.2502	0.5058	0.5011	0.055*
C14	0.12054 (17)	0.6389 (3)	0.3926 (3)	0.0710 (10)
H14A	0.1202	0.6951	0.4277	0.085*
H14B	0.1097	0.5909	0.4298	0.085*
C15	0.04623 (15)	0.6403 (2)	0.2644 (2)	0.0521 (7)
H15A	0.0518	0.5883	0.2273	0.062*
H15B	0.0525	0.6934	0.2295	0.062*
C16	0.25299 (18)	0.68327 (19)	0.3927 (2)	0.0509 (7)
H16	0.2318	0.7383	0.3541	0.061*
C17	0.33284 (16)	0.64368 (16)	0.4330 (2)	0.0420 (6)
H17	0.3763	0.6682	0.4265	0.050*
N1	0.34027 (11)	0.56325 (13)	0.48419 (16)	0.0334 (4)
N2	0.21024 (13)	0.62621 (16)	0.42028 (18)	0.0474 (5)
O1	0.56289 (11)	0.37653 (11)	0.69574 (14)	0.0431 (4)
O2	0.63083 (10)	0.39108 (10)	0.89143 (13)	0.0384 (4)
O1W	0.5000	0.54659 (13)	0.7500	0.0258 (4)
O3	0.88390 (16)	0.13596 (16)	0.75292 (18)	0.0801 (8)
O4	0.94753 (9)	0.07087 (9)	0.92823 (12)	0.0271 (3)
Mn1	0.456815 (18)	0.470697 (19)	0.58778 (3)	0.02220 (10)
H1W1	0.542 (2)	0.578 (2)	0.760 (3)	0.080 (11)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0272 (11)	0.0277 (10)	0.0356 (12)	0.0069 (8)	0.0203 (10)	0.0041 (9)
C2	0.0293 (11)	0.0307 (10)	0.0280 (11)	0.0099 (8)	0.0186 (9)	0.0049 (8)
C3	0.0322 (12)	0.0365 (12)	0.0344 (12)	0.0065 (9)	0.0163 (10)	−0.0075 (9)
C4	0.0250 (11)	0.0478 (13)	0.0333 (12)	0.0089 (10)	0.0129 (10)	−0.0012 (10)
C5	0.0329 (11)	0.0359 (11)	0.0272 (10)	0.0153 (9)	0.0192 (10)	0.0098 (9)
C6	0.0373 (12)	0.0355 (11)	0.0365 (12)	0.0165 (9)	0.0259 (11)	0.0104 (10)
C7	0.0389 (12)	0.0284 (10)	0.0319 (11)	0.0095 (9)	0.0243 (10)	0.0061 (9)
C8	0.0303 (11)	0.0304 (10)	0.0269 (10)	0.0062 (8)	0.0177 (9)	0.0048 (8)
C9	0.0331 (12)	0.0437 (13)	0.0441 (13)	0.0018 (10)	0.0214 (11)	−0.0002 (11)
C10	0.0604 (17)	0.0318 (12)	0.0464 (14)	0.0081 (11)	0.0363 (14)	0.0011 (10)
C11	0.0689 (19)	0.0365 (13)	0.0581 (17)	−0.0120 (13)	0.0373 (16)	−0.0132 (12)
C12	0.0455 (15)	0.0541 (16)	0.0578 (17)	−0.0147 (13)	0.0245 (14)	−0.0098 (14)
C13	0.0282 (12)	0.0585 (15)	0.0465 (14)	0.0064 (11)	0.0197 (11)	0.0183 (12)
C14	0.0301 (14)	0.129 (3)	0.0529 (17)	0.0267 (16)	0.0241 (13)	0.0157 (18)
C15	0.0276 (13)	0.0674 (18)	0.0541 (16)	−0.0057 (12)	0.0204 (12)	−0.0056 (14)
C16	0.0488 (15)	0.0516 (15)	0.0530 (15)	0.0214 (12)	0.0306 (13)	0.0239 (13)
C17	0.0376 (13)	0.0472 (14)	0.0455 (14)	0.0088 (11)	0.0270 (12)	0.0150 (11)
N1	0.0242 (9)	0.0398 (10)	0.0318 (10)	0.0062 (8)	0.0141 (8)	0.0070 (8)
N2	0.0266 (10)	0.0719 (15)	0.0412 (11)	0.0179 (10)	0.0188 (9)	0.0174 (11)
O1	0.0433 (9)	0.0510 (10)	0.0346 (9)	0.0273 (8)	0.0228 (8)	0.0121 (7)
O2	0.0373 (9)	0.0419 (9)	0.0358 (8)	0.0138 (7)	0.0216 (8)	−0.0021 (7)
O1W	0.0245 (11)	0.0252 (10)	0.0319 (11)	0.000	0.0190 (10)	0.000
O3	0.1034 (17)	0.1078 (18)	0.0677 (13)	0.0817 (15)	0.0718 (14)	0.0575 (13)
O4	0.0232 (7)	0.0305 (7)	0.0271 (7)	0.0091 (6)	0.0146 (6)	0.0064 (6)
Mn1	0.01989 (17)	0.02365 (16)	0.02283 (17)	0.00100 (11)	0.01253 (13)	0.00210 (11)

Geometric parameters (Å, º) top

C1—O2	1.245 (2)	C13—H13	0.93
C1—O1	1.256 (2)	C14—N2	1.467 (3)
C1—C2	1.518 (3)	C14—C15	1.470 (4)
C2—C3	1.368 (3)	C14—H14A	0.97
C2—C8	1.423 (3)	C14—H14B	0.97
C3—C4	1.406 (3)	C15—C15ⁱ	1.497 (4)
C3—H3	0.93	C15—H15A	0.97
C4—C5	1.364 (3)	C15—H15B	0.97
C4—H4	0.93	C16—C17	1.357 (3)
C5—C7	1.420 (3)	C16—N2	1.358 (3)
C5—C6	1.510 (3)	C16—H16	0.93
C6—O3	1.228 (3)	C17—N1	1.358 (3)
C6—O4	1.263 (2)	C17—H17	0.93
C7—C10	1.420 (3)	Mn1—N1	2.2157 (17)
C7—C8	1.426 (3)	Mn1—O1	2.1343 (15)
C8—C9	1.414 (3)	Mn1—O2ⁱⁱ	2.1535 (14)
C9—C12	1.362 (4)	Mn1—O1W	2.2085 (11)
C9—H9	0.93	O1W—Mn1ⁱⁱ	2.2085 (11)
C10—C11	1.359 (4)	O1W—H1W1	0.83 (3)
C10—H10	0.93	O4—Mn1ⁱⁱⁱ	2.2115 (14)
C11—C12	1.401 (4)	O4—Mn1^iv	2.4148 (13)
C11—H11	0.93	Mn1—O2ⁱⁱ	2.1535 (14)
C12—H12	0.93	Mn1—O4^v	2.2115 (14)
C13—N1	1.323 (3)	Mn1—O4^vi	2.4148 (13)
C13—N2	1.336 (3)

O2—C1—O1	126.60 (18)	C15—C14—H14B	108.7
O2—C1—C2	117.30 (18)	H14A—C14—H14B	107.6
O1—C1—C2	116.07 (18)	C14—C15—C15ⁱ	114.7 (3)
C3—C2—C8	119.57 (18)	C14—C15—H15A	108.6
C3—C2—C1	119.00 (19)	C15ⁱ—C15—H15A	108.6
C8—C2—C1	121.33 (18)	C14—C15—H15B	108.6
C2—C3—C4	121.3 (2)	C15ⁱ—C15—H15B	108.6
C2—C3—H3	119.3	H15A—C15—H15B	107.6
C4—C3—H3	119.3	C17—C16—N2	106.1 (2)
C5—C4—C3	120.3 (2)	C17—C16—H16	127.0
C5—C4—H4	119.9	N2—C16—H16	127.0
C3—C4—H4	119.9	C16—C17—N1	110.4 (2)
C4—C5—C7	120.31 (18)	C16—C17—H17	124.8
C4—C5—C6	120.2 (2)	N1—C17—H17	124.8
C7—C5—C6	118.88 (19)	C13—N1—C17	104.58 (19)
O3—C6—O4	124.86 (19)	C13—N1—Mn1	124.47 (16)
O3—C6—C5	114.36 (18)	C17—N1—Mn1	130.37 (15)
O4—C6—C5	120.78 (18)	C13—N2—C16	106.84 (19)
C5—C7—C10	121.9 (2)	C13—N2—C14	126.7 (2)
C5—C7—C8	119.17 (19)	C16—N2—C14	126.5 (2)
C10—C7—C8	119.0 (2)	C1—O1—Mn1	140.78 (13)
C9—C8—C2	122.82 (19)	C1—O2—Mn1ⁱⁱ	133.19 (13)
C9—C8—C7	118.2 (2)	Mn1—O1W—Mn1ⁱⁱ	118.46 (9)
C2—C8—C7	118.94 (19)	Mn1—O1W—H1W1	101 (2)
C12—C9—C8	120.9 (2)	Mn1ⁱⁱ—O1W—H1W1	112 (2)
C12—C9—H9	119.5	C6—O4—Mn1ⁱⁱⁱ	128.35 (12)
C8—C9—H9	119.5	C6—O4—Mn1^iv	123.05 (12)
C11—C10—C7	120.9 (2)	Mn1ⁱⁱⁱ—O4—Mn1^iv	106.99 (5)
C11—C10—H10	119.6	O1—Mn1—O2ⁱⁱ	89.34 (6)
C7—C10—H10	119.6	O1—Mn1—O1W	89.50 (6)
C10—C11—C12	120.1 (2)	O2ⁱⁱ—Mn1—O1W	89.38 (5)
C10—C11—H11	119.9	O1—Mn1—O4^v	91.01 (6)
C12—C11—H11	119.9	O2ⁱⁱ—Mn1—O4^v	111.20 (5)
C9—C12—C11	120.9 (2)	O1W—Mn1—O4^v	159.42 (5)
C9—C12—H12	119.5	O1—Mn1—N1	174.19 (6)
C11—C12—H12	119.5	O2ⁱⁱ—Mn1—N1	85.26 (6)
N1—C13—N2	112.1 (2)	O1W—Mn1—N1	88.30 (6)
N1—C13—H13	123.9	O4^v—Mn1—N1	92.93 (6)
N2—C13—H13	123.9	O1—Mn1—O4^vi	93.37 (6)
N2—C14—C15	114.4 (2)	O2ⁱⁱ—Mn1—O4^vi	174.98 (6)
N2—C14—H14A	108.7	O1W—Mn1—O4^vi	86.42 (4)
C15—C14—H14A	108.7	O4^v—Mn1—O4^vi	73.01 (5)
N2—C14—H14B	108.7	N1—Mn1—O4^vi	91.86 (6)

Symmetry codes: (i) −x, y, −z+1/2; (ii) −x+1, y, −z+3/2; (iii) x+1/2, −y+1/2, z+1/2; (iv) −x+3/2, y−1/2, −z+3/2; (v) x−1/2, −y+1/2, z−1/2; (vi) −x+3/2, y+1/2, −z+3/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1W1···O3^vi	0.83 (3)	1.72 (3)	2.5361 (19)	166 (3)

Symmetry code: (vi) −x+3/2, y+1/2, −z+3/2.

Experimental details

Crystal data
Chemical formula	[Mn₂(C₁₂H₆O₄)₂(C₁₀H₁₄N₄)(H₂O)]
M_r	746.48
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	293
a, b, c (Å)	18.386 (2), 14.8887 (18), 13.9121 (17)
β (°)	126.319 (1)
V (Å³)	3068.5 (6)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	0.89
Crystal size (mm)	0.31 × 0.29 × 0.23

Data collection
Diffractometer	Bruker APEX CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 1998)
T_min, T_max	0.754, 0.814
No. of measured, independent and observed [I > 2σ(I)] reflections	8475, 3032, 2643
R_int	0.020
(sin θ/λ)_max (Å⁻¹)	0.618

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.032, 0.081, 1.06
No. of reflections	3032
No. of parameters	226
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.36, −0.24

Computer programs: SMART (Bruker, 1998), SAINT (Bruker, 1998), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Mn1—N1	2.2157 (17)	Mn1—O2ⁱ	2.1535 (14)
Mn1—O1	2.1343 (15)	Mn1—O4ⁱⁱ	2.2115 (14)
Mn1—O1W	2.2085 (11)	Mn1—O4ⁱⁱⁱ	2.4148 (13)

Symmetry codes: (i) −x+1, y, −z+3/2; (ii) x−1/2, −y+1/2, z−1/2; (iii) −x+3/2, y+1/2, −z+3/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1W1···O3ⁱⁱⁱ	0.83 (3)	1.72 (3)	2.5361 (19)	166 (3)

Symmetry code: (iii) −x+3/2, y+1/2, −z+3/2.

Acknowledgements

The work was supported by the Program for Young Academic Backbone in Heilongjiang Provincial University (grant No. 1152 G053)

References

Bruker (1998). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Ma, J.-F., Yang, J., Zheng, G.-L., Li, L. & Liu, J.-F. (2003). Inorg. Chem. 42, 7531–7534. Web of Science CSD CrossRef PubMed CAS Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Yang, J., Ma, J.-F., Batten, S. R. & Su, Z.-M. (2008). Chem. Commun. pp. 2233–2235. Web of Science CSD CrossRef Google Scholar

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