supplementary materials


HTML versionpdf versioncif file3d viewstructure factorssupplementary materialsCIF check reportcited insimilar papers buy article online

Acta Cryst. (2007). E63, m1587-m1588    [ doi:10.1107/S1600536807021101 ]

Triaqua[2-(4-carboxylatophenoxy)propionato-[kappa]O](1,10-phenanthroline-[kappa]2N,N')manganese(II) monohydrate

Y.-H. Xiao, L.-L. Kong and S. Gao

Abstract top

The zwitterionic title compound, [Mn(C10H8O5)(C12H8N2)(H2O)3]·H2O, has the Mn atom in an octahedral geometry that comprises the O atom of the 2-(4-carboxylatophenoxy)propionate group, two N atoms of the 1,10-phenanthroline ligand and three water molecules. Extensive hydrogen-bonding and [pi]-[pi] stacking interactions lead to a three-dimensional supramolecular network.

Comment top

Our studies have addressed the metal derivatives of carboxyphenoxypropionic acids for the construction of supramolecular architectures. ecently, we have reported the structures of cobalt(II) and nickel(II) derivatives of 2-(4-carboxylatophenoxy)propionic acid (Deng et al., 2007a,b). In the title Mn complex (I) (Fig. 1), the 2-(p-CPOP)2- anion coordinates in a monodentate fashion to the Mn atom through the carboxylate group. The Mn atom is chelated by the phenanthroline and is also linked to three water molecules. A three-dimensional supramolecular network is constructed from π-π stacking between the 1,10-phenanthroline rings (centroid-centroid distance being 3.689 (5) and 3.869 (5) Å) and hydrogen-bonding interactions (Table 2).

Related literature top

For the cobalt(II) and nickel(II) complexes of the title carboxylic acid, see: Deng et al. (2007a,b).

Experimental top

The title complex was prepared by the addition of MnCl2.4H2O (10 mmol) and 1,10-phenanthroline (10 mmol) to a solution of 2-(p-CPOPH2) (15 mmol) in H2O/MeOH (V/V = 1:1) solution. The pH value was adjusted to 5 with NaOH (0.2 M) solution. Colorless crystals were obtained from the filtered solution at room temperature over several days. CH&N analysis. Calc. for C22H24N2O9Mn: C 51.27, H 4.69, N 5.43. Found: C 51.26, H 4.67, N 5.46%.

Refinement top

The H atoms were placed in calculated positions with C—H = 0.93 or 0.97 Å and Uiso(H) = 1.2Ueq (C) and were included in the refinement in the riding model approximation. The H atoms of water molecules and hydroxyl groups were located in difference Fourier maps and refined with the O—H distance restrained to 0.85 (1) Å and Uiso(H) = 1.5Ueq(O).

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Figures top
[Figure 1] Fig. 1. Molecular structure of the title compound with 30% probability ellipsoid for the non-H atoms. Dashed lines indicate O—H···O hydrogen bonds.
Triaqua[2-(4-carboxylatophenoxy)propionato-κO](1,10-phenanthroline- κ2N,N')manganese(II) monohydrate top
Crystal data top
[Mn(C10H8O5)(C12H8N2)(H2O)3]·H2OZ = 2
Mr = 515.37F(000) = 534
Triclinic, P1Dx = 1.469 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.5457 (15) ÅCell parameters from 7678 reflections
b = 11.073 (2) Åθ = 3.3–27.5°
c = 15.372 (3) ŵ = 0.62 mm−1
α = 106.16 (3)°T = 295 K
β = 99.53 (3)°Prism, colourless
γ = 103.14 (3)°0.38 × 0.25 × 0.17 mm
V = 1164.8 (5) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer		5280 independent reflections
Radiation source: fine-focus sealed tube3105 reflections with I > 2σ(I)
graphiteRint = 0.036
Detector resolution: 10.000 pixels mm-1θmax = 27.5°, θmin = 3.3°
ω scansh = −9→9
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)		k = −14→14
Tmin = 0.826, Tmax = 0.893l = −19→19
11565 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.038Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.100H atoms treated by a mixture of independent and constrained refinement
S = 1.12 w = 1/[σ2(Fo2) + (0.0275P)2 + 0.6167P]
where P = (Fo2 + 2Fc2)/3
5280 reflections(Δ/σ)max = 0.001
332 parametersΔρmax = 0.56 e Å−3
0 restraintsΔρmin = −0.73 e Å−3
Crystal data top
[Mn(C10H8O5)(C12H8N2)(H2O)3]·H2Oγ = 103.14 (3)°
Mr = 515.37V = 1164.8 (5) Å3
Triclinic, P1Z = 2
a = 7.5457 (15) ÅMo Kα radiation
b = 11.073 (2) ŵ = 0.62 mm−1
c = 15.372 (3) ÅT = 295 K
α = 106.16 (3)°0.38 × 0.25 × 0.17 mm
β = 99.53 (3)°
Data collection top
Rigaku R-AXIS RAPID
diffractometer		5280 independent reflections
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)		3105 reflections with I > 2σ(I)
Tmin = 0.826, Tmax = 0.893Rint = 0.036
11565 measured reflectionsθmax = 27.5°
Refinement top
R[F2 > 2σ(F2)] = 0.038H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.100Δρmax = 0.56 e Å−3
S = 1.12Δρmin = −0.73 e Å−3
5280 reflectionsAbsolute structure: ?
332 parametersFlack parameter: ?
0 restraintsRogers parameter: ?
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Mn10.27669 (6)0.37228 (4)0.71204 (3)0.03294 (13)
O1W0.5797 (3)0.4182 (2)0.75865 (16)0.0471 (5)
H1W10.624 (5)0.362 (3)0.774 (2)0.071*
H1W20.633 (5)0.493 (4)0.796 (3)0.071*
O2W0.2654 (3)0.3051 (2)0.83041 (14)0.0432 (5)
H2W10.353 (5)0.286 (3)0.859 (2)0.065*
H2W20.170 (5)0.286 (3)0.857 (2)0.065*
O3W−0.0264 (3)0.34586 (19)0.69778 (14)0.0385 (5)
H3W1−0.086 (4)0.309 (3)0.734 (2)0.058*
H3W2−0.026 (5)0.426 (3)0.717 (2)0.058*
O4W−0.1908 (3)0.6600 (2)0.88034 (17)0.0560 (6)
H4W1−0.098 (6)0.649 (4)0.851 (3)0.084*
H4W2−0.146 (6)0.686 (4)0.939 (3)0.084*
O10.3311 (3)0.58037 (17)0.75925 (14)0.0424 (5)
O20.0499 (3)0.60400 (18)0.76959 (15)0.0479 (5)
O30.5231 (3)1.20164 (16)0.92263 (13)0.0364 (4)
O41.0045 (3)1.2598 (2)0.92143 (14)0.0485 (5)
O50.7683 (3)1.25399 (18)0.81085 (13)0.0425 (5)
N10.2598 (3)0.1668 (2)0.61862 (15)0.0386 (6)
N20.2602 (3)0.3778 (2)0.56302 (16)0.0424 (6)
C10.2238 (4)0.6494 (2)0.78069 (18)0.0343 (6)
C20.3088 (4)0.7955 (2)0.82068 (18)0.0334 (6)
C30.5007 (4)0.8509 (2)0.84896 (18)0.0355 (6)
H30.57890.79670.84430.043*
C40.5795 (4)0.9867 (3)0.88444 (19)0.0366 (6)
H40.70911.02290.90280.044*
C50.4628 (4)1.0666 (2)0.89205 (17)0.0306 (6)
C60.2693 (4)1.0124 (3)0.8677 (2)0.0382 (7)
H60.19111.06650.87540.046*
C70.1938 (4)0.8781 (3)0.8321 (2)0.0382 (7)
H70.06410.84200.81530.046*
C80.7194 (4)1.2660 (2)0.96311 (18)0.0332 (6)
H80.76541.22791.00960.040*
C90.7334 (4)1.4088 (3)1.0117 (2)0.0434 (7)
H9A0.69281.44720.96610.065*
H9B0.86121.45591.04480.065*
H9C0.65491.41351.05500.065*
C100.8382 (4)1.2573 (2)0.89161 (19)0.0332 (6)
C110.2577 (5)0.4808 (3)0.5357 (2)0.0569 (9)
H110.25520.55770.57900.068*
C120.2588 (5)0.4788 (4)0.4442 (3)0.0722 (11)
H120.25870.55330.42750.087*
C130.2601 (5)0.3666 (4)0.3804 (2)0.0705 (11)
H130.26110.36400.31950.085*
C140.2599 (5)0.2548 (4)0.4058 (2)0.0551 (9)
C150.2562 (5)0.1317 (5)0.3425 (2)0.0727 (11)
H150.25680.12490.28090.087*
C160.2517 (6)0.0256 (4)0.3689 (2)0.0722 (11)
H160.2492−0.05290.32560.087*
C170.2506 (5)0.0323 (3)0.4632 (2)0.0529 (8)
C180.2449 (5)−0.0746 (3)0.4952 (3)0.0653 (10)
H180.2390−0.15590.45430.078*
C190.2480 (5)−0.0595 (3)0.5858 (3)0.0641 (10)
H190.2452−0.12980.60790.077*
C200.2553 (5)0.0628 (3)0.6457 (2)0.0523 (8)
H200.25720.07200.70790.063*
C210.2571 (4)0.1526 (3)0.52810 (18)0.0395 (7)
C220.2592 (4)0.2654 (3)0.49881 (19)0.0407 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.0368 (3)0.0277 (2)0.0340 (2)0.00985 (18)0.00952 (18)0.00888 (18)
O1W0.0373 (13)0.0414 (12)0.0608 (14)0.0123 (10)0.0063 (11)0.0165 (11)
O2W0.0430 (14)0.0543 (13)0.0474 (12)0.0224 (11)0.0180 (10)0.0291 (11)
O3W0.0381 (12)0.0318 (10)0.0457 (12)0.0092 (9)0.0120 (9)0.0123 (10)
O4W0.0417 (15)0.0607 (15)0.0568 (14)0.0119 (12)0.0060 (12)0.0115 (13)
O10.0402 (12)0.0265 (10)0.0585 (13)0.0100 (9)0.0148 (10)0.0090 (9)
O20.0359 (13)0.0308 (10)0.0685 (14)0.0059 (9)0.0089 (11)0.0086 (10)
O30.0350 (11)0.0247 (9)0.0492 (11)0.0085 (8)0.0103 (9)0.0118 (9)
O40.0355 (13)0.0656 (14)0.0499 (12)0.0150 (11)0.0133 (10)0.0253 (11)
O50.0472 (13)0.0460 (11)0.0385 (11)0.0160 (10)0.0134 (10)0.0166 (10)
N10.0442 (15)0.0344 (13)0.0342 (12)0.0113 (11)0.0091 (11)0.0070 (11)
N20.0449 (16)0.0479 (15)0.0378 (13)0.0128 (12)0.0085 (11)0.0207 (13)
C10.0390 (17)0.0281 (14)0.0371 (15)0.0102 (13)0.0097 (13)0.0123 (12)
C20.0384 (17)0.0299 (14)0.0348 (14)0.0086 (12)0.0111 (13)0.0149 (12)
C30.0361 (17)0.0294 (14)0.0440 (16)0.0115 (12)0.0142 (13)0.0127 (13)
C40.0306 (16)0.0316 (14)0.0488 (16)0.0079 (12)0.0121 (13)0.0145 (13)
C50.0367 (16)0.0245 (13)0.0331 (14)0.0088 (12)0.0126 (12)0.0112 (12)
C60.0366 (17)0.0301 (14)0.0541 (17)0.0143 (13)0.0159 (14)0.0166 (14)
C70.0299 (16)0.0311 (14)0.0542 (18)0.0077 (12)0.0072 (13)0.0180 (14)
C80.0320 (16)0.0276 (13)0.0355 (14)0.0048 (12)0.0055 (12)0.0080 (12)
C90.050 (2)0.0333 (15)0.0421 (16)0.0116 (14)0.0123 (14)0.0056 (13)
C100.0365 (17)0.0235 (13)0.0372 (15)0.0057 (12)0.0081 (13)0.0091 (12)
C110.065 (2)0.059 (2)0.0528 (19)0.0197 (18)0.0097 (17)0.0297 (18)
C120.076 (3)0.084 (3)0.068 (2)0.019 (2)0.006 (2)0.052 (2)
C130.062 (3)0.107 (3)0.044 (2)0.015 (2)0.0071 (18)0.036 (2)
C140.046 (2)0.082 (2)0.0347 (16)0.0144 (18)0.0073 (15)0.0201 (18)
C150.065 (3)0.108 (3)0.0323 (18)0.022 (2)0.0141 (17)0.006 (2)
C160.074 (3)0.081 (3)0.044 (2)0.028 (2)0.0130 (19)−0.010 (2)
C170.044 (2)0.058 (2)0.0418 (17)0.0126 (16)0.0072 (15)−0.0031 (16)
C180.066 (3)0.045 (2)0.069 (2)0.0215 (18)0.009 (2)−0.0064 (19)
C190.075 (3)0.0363 (18)0.075 (2)0.0192 (17)0.010 (2)0.0101 (18)
C200.071 (2)0.0362 (17)0.0478 (18)0.0167 (16)0.0122 (17)0.0106 (15)
C210.0330 (17)0.0440 (16)0.0319 (15)0.0068 (13)0.0059 (12)0.0024 (14)
C220.0306 (16)0.0554 (19)0.0320 (14)0.0091 (14)0.0082 (12)0.0105 (14)
Geometric parameters (Å, °) top
Mn1—O12.1318 (19)C5—C61.389 (4)
Mn1—O2W2.156 (2)C6—C71.376 (4)
Mn1—O1W2.174 (2)C6—H60.9300
Mn1—O3W2.204 (2)C7—H70.9300
Mn1—N12.290 (2)C8—C91.521 (4)
Mn1—N22.292 (2)C8—C101.526 (4)
O1W—H1W10.84 (4)C8—H80.9800
O1W—H1W20.83 (4)C9—H9A0.9600
O2W—H2W10.83 (4)C9—H9B0.9600
O2W—H2W20.90 (4)C9—H9C0.9600
O3W—H3W10.90 (3)C11—C121.402 (5)
O3W—H3W20.85 (3)C11—H110.9300
O4W—H4W10.91 (4)C12—C131.354 (5)
O4W—H4W20.85 (4)C12—H120.9300
O1—C11.256 (3)C13—C141.398 (5)
O2—C11.257 (3)C13—H130.9300
O3—C51.375 (3)C14—C221.403 (4)
O3—C81.435 (3)C14—C151.429 (5)
O4—C101.253 (3)C15—C161.340 (5)
O5—C101.253 (3)C15—H150.9300
N1—C201.324 (3)C16—C171.432 (5)
N1—C211.352 (3)C16—H160.9300
N2—C111.322 (4)C17—C181.397 (5)
N2—C221.354 (4)C17—C211.410 (4)
C1—C21.501 (4)C18—C191.352 (5)
C2—C31.379 (4)C18—H180.9300
C2—C71.393 (4)C19—C201.393 (4)
C3—C41.393 (4)C19—H190.9300
C3—H30.9300C20—H200.9300
C4—C51.380 (4)C21—C221.439 (4)
C4—H40.9300
O1—Mn1—O2W108.33 (8)C2—C7—H7119.5
O1—Mn1—O1W83.81 (9)O3—C8—C9105.4 (2)
O2W—Mn1—O1W85.84 (9)O3—C8—C10113.6 (2)
O1—Mn1—O3W90.70 (8)C9—C8—C10109.8 (2)
O2W—Mn1—O3W85.06 (9)O3—C8—H8109.3
O1W—Mn1—O3W167.32 (8)C9—C8—H8109.3
O1—Mn1—N1159.22 (8)C10—C8—H8109.3
O2W—Mn1—N191.18 (8)C8—C9—H9A109.5
O1W—Mn1—N190.74 (10)C8—C9—H9B109.5
O3W—Mn1—N198.24 (9)H9A—C9—H9B109.5
O1—Mn1—N288.65 (9)C8—C9—H9C109.5
O2W—Mn1—N2162.90 (8)H9A—C9—H9C109.5
O1W—Mn1—N298.30 (9)H9B—C9—H9C109.5
O3W—Mn1—N292.97 (9)O5—C10—O4125.3 (3)
N1—Mn1—N272.27 (9)O5—C10—C8119.3 (3)
Mn1—O1W—H1W1118 (2)O4—C10—C8115.4 (2)
Mn1—O1W—H1W2115 (3)N2—C11—C12122.7 (3)
H1W1—O1W—H1W2111 (4)N2—C11—H11118.6
Mn1—O2W—H2W1124 (2)C12—C11—H11118.6
Mn1—O2W—H2W2130 (2)C13—C12—C11119.0 (3)
H2W1—O2W—H2W2105 (3)C13—C12—H12120.5
Mn1—O3W—H3W1120 (2)C11—C12—H12120.5
Mn1—O3W—H3W2100 (2)C12—C13—C14120.3 (3)
H3W1—O3W—H3W2105 (3)C12—C13—H13119.9
H4W1—O4W—H4W2110 (4)C14—C13—H13119.9
C1—O1—Mn1130.21 (18)C13—C14—C22117.0 (3)
C5—O3—C8118.4 (2)C13—C14—C15124.0 (3)
C20—N1—C21117.9 (2)C22—C14—C15119.0 (3)
C20—N1—Mn1125.92 (19)C16—C15—C14122.3 (3)
C21—N1—Mn1116.17 (18)C16—C15—H15118.9
C11—N2—C22118.1 (3)C14—C15—H15118.9
C11—N2—Mn1126.1 (2)C15—C16—C17120.5 (3)
C22—N2—Mn1115.78 (17)C15—C16—H16119.8
O1—C1—O2124.3 (2)C17—C16—H16119.8
O1—C1—C2117.6 (3)C18—C17—C21117.6 (3)
O2—C1—C2118.1 (2)C18—C17—C16123.5 (3)
C3—C2—C7118.6 (2)C21—C17—C16119.0 (3)
C3—C2—C1121.2 (3)C19—C18—C17119.8 (3)
C7—C2—C1120.2 (3)C19—C18—H18120.1
C2—C3—C4121.1 (3)C17—C18—H18120.1
C2—C3—H3119.4C18—C19—C20119.1 (3)
C4—C3—H3119.4C18—C19—H19120.4
C5—C4—C3119.2 (3)C20—C19—H19120.4
C5—C4—H4120.4N1—C20—C19123.4 (3)
C3—C4—H4120.4N1—C20—H20118.3
O3—C5—C4124.8 (2)C19—C20—H20118.3
O3—C5—C6114.9 (2)N1—C21—C17122.3 (3)
C4—C5—C6120.4 (2)N1—C21—C22117.6 (2)
C7—C6—C5119.6 (3)C17—C21—C22120.1 (3)
C7—C6—H6120.2N2—C22—C14122.8 (3)
C5—C6—H6120.2N2—C22—C21118.0 (2)
C6—C7—C2121.0 (3)C14—C22—C21119.2 (3)
C6—C7—H7119.5
O2W—Mn1—O1—C1−76.5 (2)C5—O3—C8—C9−165.6 (2)
O1W—Mn1—O1—C1−160.0 (2)C5—O3—C8—C1074.1 (3)
O3W—Mn1—O1—C18.5 (2)O3—C8—C10—O531.7 (3)
N1—Mn1—O1—C1124.4 (3)C9—C8—C10—O5−86.1 (3)
N2—Mn1—O1—C1101.5 (2)O3—C8—C10—O4−151.2 (2)
O1—Mn1—N1—C20157.5 (3)C9—C8—C10—O491.0 (3)
O2W—Mn1—N1—C20−2.7 (3)C22—N2—C11—C12−1.6 (5)
O1W—Mn1—N1—C2083.2 (3)Mn1—N2—C11—C12176.0 (3)
O3W—Mn1—N1—C20−87.9 (3)N2—C11—C12—C130.8 (6)
N2—Mn1—N1—C20−178.4 (3)C11—C12—C13—C140.1 (6)
O1—Mn1—N1—C21−21.4 (4)C12—C13—C14—C22−0.3 (5)
O2W—Mn1—N1—C21178.4 (2)C12—C13—C14—C15178.3 (4)
O1W—Mn1—N1—C21−95.8 (2)C13—C14—C15—C16−178.4 (4)
O3W—Mn1—N1—C2193.2 (2)C22—C14—C15—C160.1 (6)
N2—Mn1—N1—C212.71 (19)C14—C15—C16—C170.0 (6)
O1—Mn1—N2—C11−9.4 (3)C15—C16—C17—C18179.6 (4)
O2W—Mn1—N2—C11164.1 (3)C15—C16—C17—C21−0.9 (5)
O1W—Mn1—N2—C11−92.9 (3)C21—C17—C18—C19−0.8 (5)
O3W—Mn1—N2—C1181.3 (3)C16—C17—C18—C19178.7 (4)
N1—Mn1—N2—C11179.0 (3)C17—C18—C19—C200.5 (6)
O1—Mn1—N2—C22168.3 (2)C21—N1—C20—C190.0 (5)
O2W—Mn1—N2—C22−18.2 (4)Mn1—N1—C20—C19−178.9 (3)
O1W—Mn1—N2—C2284.8 (2)C18—C19—C20—N1−0.1 (6)
O3W—Mn1—N2—C22−101.0 (2)C20—N1—C21—C17−0.3 (4)
N1—Mn1—N2—C22−3.33 (19)Mn1—N1—C21—C17178.7 (2)
Mn1—O1—C1—O2−6.8 (4)C20—N1—C21—C22179.1 (3)
Mn1—O1—C1—C2174.23 (16)Mn1—N1—C21—C22−1.9 (3)
O1—C1—C2—C3−11.7 (4)C18—C17—C21—N10.7 (5)
O2—C1—C2—C3169.3 (2)C16—C17—C21—N1−178.8 (3)
O1—C1—C2—C7169.9 (2)C18—C17—C21—C22−178.7 (3)
O2—C1—C2—C7−9.1 (4)C16—C17—C21—C221.8 (5)
C7—C2—C3—C4−2.8 (4)C11—N2—C22—C141.4 (4)
C1—C2—C3—C4178.8 (2)Mn1—N2—C22—C14−176.4 (2)
C2—C3—C4—C50.6 (4)C11—N2—C22—C21−178.5 (3)
C8—O3—C5—C4−10.1 (4)Mn1—N2—C22—C213.7 (3)
C8—O3—C5—C6170.2 (2)C13—C14—C22—N2−0.5 (5)
C3—C4—C5—O3−177.5 (2)C15—C14—C22—N2−179.1 (3)
C3—C4—C5—C62.2 (4)C13—C14—C22—C21179.4 (3)
O3—C5—C6—C7177.0 (2)C15—C14—C22—C210.8 (5)
C4—C5—C6—C7−2.8 (4)N1—C21—C22—N2−1.2 (4)
C5—C6—C7—C20.5 (4)C17—C21—C22—N2178.2 (3)
C3—C2—C7—C62.3 (4)N1—C21—C22—C14178.9 (3)
C1—C2—C7—C6−179.3 (2)C17—C21—C22—C14−1.7 (4)
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O5i0.84 (4)1.92 (4)2.754 (3)170 (3)
O1W—H1W2···O4Wii0.83 (4)1.96 (4)2.774 (4)168 (4)
O2W—H2W1···O3i0.83 (4)2.03 (4)2.847 (3)167 (3)
O2W—H2W2···O4iii0.90 (4)1.73 (4)2.634 (3)173 (3)
O3W—H3W1···O5iii0.90 (3)1.87 (3)2.759 (3)170 (3)
O3W—H3W2···O20.85 (3)1.82 (3)2.647 (3)163 (3)
O4W—H4W1···O20.91 (4)1.85 (4)2.744 (3)168 (4)
O4W—H4W2···O4iv0.85 (4)2.08 (4)2.925 (3)171 (4)
Symmetry codes: (i) x, y−1, z; (ii) x+1, y, z; (iii) x−1, y−1, z; (iv) −x+1, −y+2, −z+2.
Table 1
Selected geometric parameters (Å, °) top
Mn1—O12.1318 (19)Mn1—O3W2.204 (2)
Mn1—O2W2.156 (2)Mn1—N12.290 (2)
Mn1—O1W2.174 (2)Mn1—N22.292 (2)
O1—Mn1—O2W108.33 (8)O1W—Mn1—N190.74 (10)
O1—Mn1—O1W83.81 (9)O3W—Mn1—N198.24 (9)
O2W—Mn1—O1W85.84 (9)O1—Mn1—N288.65 (9)
O1—Mn1—O3W90.70 (8)O2W—Mn1—N2162.90 (8)
O2W—Mn1—O3W85.06 (9)O1W—Mn1—N298.30 (9)
O1W—Mn1—O3W167.32 (8)O3W—Mn1—N292.97 (9)
O1—Mn1—N1159.22 (8)N1—Mn1—N272.27 (9)
O2W—Mn1—N191.18 (8)
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O5i0.84 (4)1.92 (4)2.754 (3)170 (3)
O1W—H1W2···O4Wii0.83 (4)1.96 (4)2.774 (4)168 (4)
O2W—H2W1···O3i0.83 (4)2.03 (4)2.847 (3)167 (3)
O2W—H2W2···O4iii0.90 (4)1.73 (4)2.634 (3)173 (3)
O3W—H3W1···O5iii0.90 (3)1.87 (3)2.759 (3)170 (3)
O3W—H3W2···O20.85 (3)1.82 (3)2.647 (3)163 (3)
O4W—H4W1···O20.91 (4)1.85 (4)2.744 (3)168 (4)
O4W—H4W2···O4iv0.85 (4)2.08 (4)2.925 (3)171 (4)
Symmetry codes: (i) x, y−1, z; (ii) x+1, y, z; (iii) x−1, y−1, z; (iv) −x+1, −y+2, −z+2.
references
References top

Deng, Z.-P., Gao, S. & Chen, P.-G. (2007a). Acta Cryst. E63, m296–m298.

Deng, Z.-P., Gao, S. & Chen, P.-G. (2007b). Acta Cryst. E63, m553–m554.

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.

Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.

Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.

Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.

Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.