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Acta Cryst. (2009). E65, m591-m592    [ doi:10.1107/S1600536809015098 ]

Diaqua(trifluoroacetato-[kappa]2O,O')[2,4,6-tri-2-pyridyl-1,3,5-triazine-[kappa]3N2,N1,N6]manganese(II) trifluoroacetate

K. M. Lo and S. W. Ng

Abstract top

The MnII atom in the two independent ion-pairs of the title salt, [Mn(C2F3O2)(C18H12N6)(H2O)2]C2F3O2, is N,N',N''-chelated by the neutral N-heterocycle and O,O'-chelated by the carboxylate ion, the five atoms involved in chelation comprising a pentagon around it. The apical sites of the trans-pentagonal bipyramidal coordination geometry are occupied by two water molecules. The cations and lattice anions are linked by O-H...O and O-H...N hydrogen bonds into a three-dimensional network.

Related literature top

For the seven-coordinate diaqua(acetato)[2,4,6-tris(2-pyridyl)-1,3,5-triazine)]manganese(II) cation, see: Majumder et al. (2005); Zhao et al. (2007). For the synthesis of manganese trifluoroacetate, see: Baillie et al. (1968). The compound can be synthesized directly from manganese metal and trifluoroacetic acid; see: Hübner et al. (2006).

Experimental top

Manganese trifluoroacetate was synthesized in situ by using a procedure slightly different from the reported one (Baillie et al., 1968). Manganese acetate tetrahydrate (0.7 g, 3 mmol) was dissolved in ethanol (100 ml) along with trifluoroacetic acid (0.3 ml, 3.2 mmol). The solution was heated until acetate dissolved completely; commercially available 2,4,6-tris(2-pyridyl)-1,3,5-triazine (0.9 g, 3 mmol) was added. Slow cooling of the solution yielded deep yellow crystals.

Refinement top

Carbon-bound H-atoms were placed in calculated positions (C—H 0.95 Å) and were included in the refinement in the riding model approximation, with U(H) set to 1.2U(C). The oxygen-bound H-atom were located in a difference Fourier map, and were refined with a distance restraint of O–H 0.84±0.01 Å; their temperature factors were tied by a factor of 1.5

Computing details top

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2009).

Figures top
[Figure 1] Fig. 1. 70% Probability thermal ellipsoid plot of the two independent ion-pairs of [Mn(H2O)2(C18H12N6)(C2F3O2)] [C2F3O2]. Hydrogen atoms are drawn as spheres of arbitrary radius.
Diaqua(trifluoroacetato-κ2O,O')[2,4,6-tri-2-pyridyl- 1,3,5-triazine-κ3N2,N1,N6]manganese(II) trifluoroacetate top
Crystal data top
[Mn(C2F3O2)(C18H12N6)(H2O)2]C2F3O2F(000) = 5072
Mr = 629.35Dx = 1.728 Mg m−3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 9826 reflections
a = 31.1179 (4) Åθ = 2.1–28.3°
b = 10.5881 (1) ŵ = 0.65 mm−1
c = 32.9673 (4) ÅT = 100 K
β = 117.027 (1)°Triangular block, deep yellow
V = 9675.8 (2) Å30.40 × 0.30 × 0.20 mm
Z = 16
Data collection top
Bruker SMART APEX
diffractometer		11090 independent reflections
Radiation source: fine-focus sealed tube8998 reflections with I > 2σ(I)
graphiteRint = 0.035
ω scansθmax = 27.5°, θmin = 1.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −40→40
Tmin = 0.782, Tmax = 0.882k = −13→13
58407 measured reflectionsl = −42→36
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) = 0.113H atoms treated by a mixture of independent and constrained refinement
S = 1.26 w = 1/[σ2(Fo2) + (0.05P)2 + 1P]
where P = (Fo2 + 2Fc2)/3
11090 reflections(Δ/σ)max = 0.001
763 parametersΔρmax = 0.70 e Å−3
12 restraintsΔρmin = −0.45 e Å−3
Crystal data top
[Mn(C2F3O2)(C18H12N6)(H2O)2]C2F3O2V = 9675.8 (2) Å3
Mr = 629.35Z = 16
Monoclinic, C2/cMo Kα radiation
a = 31.1179 (4) ŵ = 0.65 mm−1
b = 10.5881 (1) ÅT = 100 K
c = 32.9673 (4) Å0.40 × 0.30 × 0.20 mm
β = 117.027 (1)°
Data collection top
Bruker SMART APEX
diffractometer		11090 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		8998 reflections with I > 2σ(I)
Tmin = 0.782, Tmax = 0.882Rint = 0.035
58407 measured reflectionsθmax = 27.5°
Refinement top
R[F2 > 2σ(F2)] = 0.038H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.113Δρmax = 0.70 e Å−3
S = 1.26Δρmin = −0.45 e Å−3
11090 reflectionsAbsolute structure: ?
763 parametersFlack parameter: ?
12 restraintsRogers parameter: ?
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Mn10.720616 (11)0.77896 (3)0.571168 (11)0.01405 (8)
Mn20.543400 (11)0.73110 (3)0.683854 (11)0.01352 (8)
F10.81794 (5)1.08937 (15)0.54644 (5)0.0348 (4)
F20.85747 (6)1.05565 (19)0.61763 (6)0.0511 (5)
F30.86788 (6)0.93594 (17)0.57115 (9)0.0641 (7)
F40.42111 (5)1.04711 (14)0.64551 (6)0.0350 (4)
F50.38758 (5)0.89407 (16)0.66211 (7)0.0424 (4)
F60.43881 (7)1.0104 (2)0.71532 (6)0.0581 (6)
F70.85946 (5)0.81672 (15)0.66461 (5)0.0315 (3)
F80.91840 (5)0.90901 (15)0.71976 (6)0.0363 (4)
F90.88793 (7)0.74277 (16)0.73215 (6)0.0429 (4)
F100.39983 (5)0.82711 (14)0.57845 (5)0.0302 (3)
F110.34953 (4)0.88917 (13)0.51150 (5)0.0259 (3)
F120.40909 (5)0.76990 (14)0.52039 (5)0.0315 (3)
O10.76515 (5)0.96203 (15)0.58714 (6)0.0216 (3)
O20.79144 (5)0.80310 (14)0.56061 (5)0.0193 (3)
O30.46788 (6)0.75451 (15)0.68873 (6)0.0212 (3)
O40.50553 (5)0.92045 (15)0.67875 (6)0.0213 (3)
O50.80460 (6)0.87181 (18)0.71467 (6)0.0326 (4)
O60.85065 (5)1.04341 (16)0.72582 (6)0.0231 (3)
O70.47236 (6)0.96368 (16)0.56391 (6)0.0280 (4)
O80.40676 (6)1.08581 (15)0.53004 (6)0.0272 (4)
O1w0.75416 (6)0.73125 (15)0.64126 (5)0.0212 (3)
H1w10.7709 (9)0.777 (2)0.6639 (6)0.032*
H1w20.7481 (10)0.6617 (14)0.6497 (8)0.032*
O2w0.68227 (5)0.81939 (16)0.49969 (5)0.0208 (3)
H2w10.6866 (9)0.777 (2)0.4803 (7)0.031*
H2w20.6549 (6)0.854 (2)0.4869 (8)0.031*
O3w0.51060 (5)0.75031 (15)0.61179 (5)0.0175 (3)
H3w10.5102 (9)0.6916 (16)0.5946 (7)0.026*
H3w20.4969 (9)0.8149 (14)0.5963 (7)0.026*
O4w0.57517 (6)0.69922 (16)0.75559 (5)0.0210 (3)
H4w10.5613 (9)0.706 (3)0.7722 (8)0.032*
H4w20.5966 (8)0.643 (2)0.7662 (8)0.032*
N10.66473 (6)0.91189 (16)0.58210 (6)0.0144 (3)
N20.65646 (6)0.66536 (16)0.56512 (6)0.0137 (3)
N30.73037 (6)0.55813 (17)0.55953 (6)0.0155 (4)
N40.58257 (6)0.65776 (17)0.56871 (6)0.0146 (3)
N50.61673 (6)0.46946 (17)0.55619 (6)0.0140 (3)
N60.50663 (6)0.52889 (17)0.56389 (6)0.0151 (3)
N70.52455 (6)0.51015 (16)0.67239 (6)0.0143 (3)
N80.60343 (6)0.61949 (16)0.67885 (6)0.0132 (3)
N90.61090 (6)0.86374 (17)0.69854 (6)0.0144 (3)
N100.63562 (6)0.42548 (16)0.66984 (6)0.0136 (3)
N110.68154 (6)0.61471 (16)0.68407 (6)0.0143 (3)
N120.74802 (6)0.48710 (17)0.66792 (6)0.0153 (3)
C10.66939 (8)1.0355 (2)0.59036 (8)0.0183 (4)
H10.69801.07590.59340.022*
C20.63460 (8)1.1087 (2)0.59474 (8)0.0194 (4)
H20.63931.19680.60030.023*
C30.59305 (8)1.0504 (2)0.59078 (8)0.0200 (4)
H30.56861.09790.59350.024*
C40.58779 (8)0.9217 (2)0.58278 (8)0.0183 (4)
H40.55980.87890.58010.022*
C50.62422 (7)0.85697 (19)0.57883 (7)0.0142 (4)
C60.62073 (7)0.71916 (19)0.57034 (7)0.0140 (4)
C70.58187 (7)0.53387 (19)0.56043 (7)0.0137 (4)
C80.65341 (7)0.53987 (19)0.55900 (7)0.0135 (4)
C90.69506 (7)0.47888 (19)0.55673 (7)0.0138 (4)
C100.69771 (7)0.3489 (2)0.55397 (7)0.0168 (4)
H100.67180.29670.55150.020*
C110.73901 (8)0.2963 (2)0.55483 (8)0.0193 (4)
H110.74210.20740.55320.023*
C120.77551 (8)0.3763 (2)0.55805 (8)0.0203 (4)
H120.80430.34320.55900.024*
C130.76949 (8)0.5061 (2)0.55991 (8)0.0191 (4)
H130.79460.56030.56150.023*
C140.53838 (7)0.4630 (2)0.55499 (7)0.0139 (4)
C150.53145 (7)0.3379 (2)0.54099 (7)0.0158 (4)
H150.55440.29510.53450.019*
C160.49008 (8)0.2768 (2)0.53669 (8)0.0187 (4)
H160.48450.19070.52770.022*
C170.45715 (7)0.3436 (2)0.54574 (7)0.0187 (4)
H170.42850.30420.54300.022*
C180.46683 (7)0.4691 (2)0.55888 (7)0.0175 (4)
H180.44390.51480.56460.021*
C190.79370 (7)0.9131 (2)0.57507 (7)0.0164 (4)
C200.83500 (8)0.9986 (2)0.57766 (9)0.0236 (5)
C210.48447 (8)0.4574 (2)0.67002 (8)0.0186 (4)
H210.46150.51020.67320.022*
C220.47493 (8)0.3288 (2)0.66318 (8)0.0210 (5)
H220.44590.29520.66160.025*
C230.50798 (8)0.2504 (2)0.65867 (8)0.0199 (4)
H230.50220.16230.65400.024*
C240.54979 (7)0.3040 (2)0.66123 (7)0.0167 (4)
H240.57340.25310.65830.020*
C250.55664 (7)0.43257 (19)0.66811 (7)0.0132 (4)
C260.60103 (7)0.49493 (19)0.67221 (7)0.0129 (4)
C270.67488 (7)0.49040 (19)0.67577 (7)0.0133 (4)
C280.64464 (7)0.6745 (2)0.68549 (7)0.0131 (4)
C290.64930 (7)0.81058 (19)0.69692 (7)0.0136 (4)
C300.69187 (7)0.8752 (2)0.70704 (7)0.0159 (4)
H300.71790.83510.70460.019*
C310.69508 (8)1.0001 (2)0.72074 (7)0.0175 (4)
H310.72381.04700.72860.021*
C320.65594 (8)1.0557 (2)0.72280 (8)0.0189 (4)
H320.65741.14130.73210.023*
C330.61434 (8)0.9848 (2)0.71115 (7)0.0174 (4)
H330.58741.02380.71220.021*
C340.71538 (7)0.4187 (2)0.67460 (7)0.0139 (4)
C350.71950 (7)0.2897 (2)0.68192 (8)0.0176 (4)
H350.69540.24410.68590.021*
C360.75962 (8)0.2279 (2)0.68334 (8)0.0211 (5)
H360.76350.13950.68850.025*
C370.79361 (8)0.2975 (2)0.67704 (8)0.0194 (4)
H370.82150.25810.67810.023*
C380.78620 (7)0.4264 (2)0.66917 (7)0.0176 (4)
H380.80950.47370.66440.021*
C390.47129 (7)0.8693 (2)0.68149 (7)0.0166 (4)
C400.42931 (8)0.9569 (2)0.67623 (9)0.0248 (5)
C410.84017 (8)0.9311 (2)0.71703 (7)0.0200 (5)
C420.87668 (8)0.8495 (2)0.70825 (7)0.0188 (4)
C430.42845 (8)0.9852 (2)0.54474 (8)0.0195 (4)
C440.39639 (7)0.8680 (2)0.53872 (8)0.0184 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.01286 (15)0.01297 (16)0.01736 (16)−0.00116 (11)0.00777 (12)0.00032 (12)
Mn20.01176 (15)0.01322 (16)0.01684 (16)0.00182 (11)0.00761 (12)0.00042 (12)
F10.0330 (8)0.0321 (8)0.0386 (9)−0.0065 (6)0.0156 (7)0.0123 (7)
F20.0450 (10)0.0609 (12)0.0347 (9)−0.0361 (9)0.0069 (8)−0.0051 (8)
F30.0386 (9)0.0346 (10)0.145 (2)−0.0024 (8)0.0648 (13)−0.0040 (12)
F40.0285 (7)0.0241 (8)0.0556 (10)0.0101 (6)0.0218 (7)0.0173 (7)
F50.0209 (7)0.0416 (10)0.0715 (12)0.0082 (7)0.0270 (8)0.0209 (9)
F60.0592 (12)0.0725 (14)0.0429 (10)0.0348 (10)0.0235 (9)−0.0124 (10)
F70.0283 (7)0.0452 (9)0.0190 (7)0.0066 (7)0.0090 (6)−0.0082 (6)
F80.0216 (7)0.0384 (9)0.0543 (10)−0.0090 (6)0.0220 (7)−0.0190 (8)
F90.0607 (11)0.0324 (9)0.0480 (10)0.0160 (8)0.0356 (9)0.0190 (8)
F100.0317 (7)0.0330 (8)0.0259 (7)−0.0086 (6)0.0132 (6)0.0049 (6)
F110.0145 (6)0.0263 (7)0.0316 (8)−0.0023 (5)0.0058 (6)−0.0007 (6)
F120.0287 (7)0.0239 (7)0.0409 (9)0.0011 (6)0.0148 (7)−0.0113 (6)
O10.0176 (7)0.0198 (8)0.0307 (9)−0.0006 (6)0.0138 (7)−0.0018 (7)
O20.0185 (7)0.0175 (8)0.0221 (8)−0.0014 (6)0.0095 (6)−0.0010 (6)
O30.0236 (8)0.0174 (8)0.0267 (9)0.0045 (6)0.0150 (7)0.0042 (6)
O40.0155 (7)0.0226 (8)0.0284 (9)0.0011 (6)0.0122 (7)−0.0031 (7)
O50.0254 (9)0.0425 (11)0.0379 (10)−0.0188 (8)0.0215 (8)−0.0205 (9)
O60.0170 (7)0.0219 (8)0.0271 (9)−0.0010 (6)0.0071 (7)−0.0042 (7)
O70.0144 (7)0.0241 (9)0.0419 (10)0.0025 (6)0.0098 (7)0.0115 (8)
O80.0181 (8)0.0176 (8)0.0408 (10)0.0017 (6)0.0090 (7)0.0052 (7)
O1w0.0246 (8)0.0155 (8)0.0189 (8)−0.0056 (6)0.0059 (7)0.0012 (6)
O2w0.0179 (7)0.0260 (9)0.0188 (8)0.0067 (6)0.0086 (6)0.0036 (7)
O3w0.0200 (7)0.0139 (7)0.0177 (8)0.0051 (6)0.0077 (6)0.0013 (6)
O4w0.0237 (8)0.0217 (8)0.0193 (8)0.0076 (6)0.0112 (7)0.0025 (6)
N10.0147 (8)0.0129 (8)0.0159 (9)−0.0017 (6)0.0074 (7)−0.0004 (7)
N20.0137 (8)0.0124 (8)0.0157 (8)−0.0002 (6)0.0073 (7)−0.0001 (7)
N30.0165 (8)0.0151 (9)0.0166 (9)−0.0016 (7)0.0090 (7)−0.0007 (7)
N40.0132 (8)0.0141 (9)0.0170 (9)−0.0008 (6)0.0074 (7)−0.0008 (7)
N50.0122 (8)0.0138 (8)0.0161 (9)−0.0003 (6)0.0066 (7)0.0001 (7)
N60.0129 (8)0.0165 (9)0.0162 (9)−0.0002 (7)0.0069 (7)−0.0006 (7)
N70.0131 (8)0.0147 (8)0.0156 (8)0.0008 (7)0.0070 (7)0.0001 (7)
N80.0123 (8)0.0128 (8)0.0151 (8)−0.0003 (6)0.0067 (7)−0.0001 (7)
N90.0133 (8)0.0144 (8)0.0156 (9)0.0023 (6)0.0067 (7)0.0012 (7)
N100.0117 (8)0.0143 (8)0.0149 (8)0.0008 (6)0.0060 (7)0.0011 (7)
N110.0129 (8)0.0135 (8)0.0172 (9)−0.0001 (6)0.0074 (7)0.0012 (7)
N120.0127 (8)0.0155 (9)0.0182 (9)0.0006 (7)0.0076 (7)0.0013 (7)
C10.0174 (10)0.0141 (10)0.0237 (11)−0.0020 (8)0.0097 (9)0.0011 (8)
C20.0255 (11)0.0110 (10)0.0227 (11)−0.0003 (8)0.0119 (9)−0.0009 (8)
C30.0211 (10)0.0173 (11)0.0246 (11)0.0025 (8)0.0130 (9)−0.0007 (9)
C40.0180 (10)0.0165 (10)0.0242 (11)0.0001 (8)0.0129 (9)0.0003 (9)
C50.0151 (9)0.0138 (10)0.0139 (10)−0.0003 (8)0.0068 (8)0.0006 (8)
C60.0153 (9)0.0132 (10)0.0132 (9)−0.0015 (7)0.0062 (8)−0.0010 (8)
C70.0148 (9)0.0137 (10)0.0121 (9)0.0001 (7)0.0058 (8)0.0002 (7)
C80.0152 (9)0.0130 (10)0.0114 (9)−0.0010 (7)0.0053 (8)0.0004 (7)
C90.0134 (9)0.0151 (10)0.0141 (9)−0.0008 (7)0.0073 (8)−0.0005 (8)
C100.0165 (10)0.0164 (10)0.0189 (10)−0.0029 (8)0.0092 (8)−0.0019 (8)
C110.0214 (11)0.0141 (10)0.0257 (12)−0.0004 (8)0.0135 (9)−0.0017 (9)
C120.0186 (10)0.0192 (11)0.0278 (12)0.0028 (8)0.0146 (9)−0.0002 (9)
C130.0161 (10)0.0195 (11)0.0259 (11)−0.0013 (8)0.0131 (9)0.0011 (9)
C140.0126 (9)0.0153 (10)0.0136 (9)0.0000 (7)0.0060 (7)0.0020 (8)
C150.0139 (9)0.0159 (10)0.0185 (10)0.0006 (8)0.0081 (8)0.0003 (8)
C160.0188 (10)0.0149 (10)0.0210 (11)−0.0035 (8)0.0079 (9)−0.0004 (8)
C170.0127 (9)0.0207 (11)0.0208 (11)−0.0026 (8)0.0061 (8)0.0009 (9)
C180.0133 (9)0.0201 (11)0.0195 (10)−0.0006 (8)0.0079 (8)0.0008 (8)
C190.0122 (9)0.0180 (10)0.0160 (10)−0.0020 (8)0.0038 (8)0.0022 (8)
C200.0156 (10)0.0212 (11)0.0335 (13)−0.0028 (9)0.0108 (9)0.0019 (10)
C210.0147 (9)0.0199 (11)0.0242 (11)0.0009 (8)0.0116 (9)0.0010 (9)
C220.0161 (10)0.0206 (11)0.0287 (12)−0.0043 (8)0.0123 (9)−0.0010 (9)
C230.0203 (11)0.0148 (10)0.0255 (12)−0.0027 (8)0.0113 (9)−0.0010 (9)
C240.0151 (9)0.0154 (10)0.0202 (11)0.0023 (8)0.0088 (8)0.0009 (8)
C250.0124 (9)0.0148 (10)0.0133 (9)0.0007 (7)0.0065 (7)0.0012 (8)
C260.0124 (9)0.0143 (10)0.0114 (9)0.0018 (7)0.0047 (7)0.0021 (7)
C270.0128 (9)0.0140 (10)0.0133 (9)0.0013 (7)0.0061 (8)0.0020 (7)
C280.0119 (9)0.0141 (10)0.0122 (9)0.0011 (7)0.0046 (7)0.0022 (7)
C290.0136 (9)0.0134 (10)0.0140 (10)0.0008 (7)0.0064 (8)0.0012 (8)
C300.0131 (9)0.0167 (10)0.0183 (10)0.0017 (8)0.0074 (8)0.0024 (8)
C310.0159 (9)0.0166 (10)0.0203 (11)−0.0033 (8)0.0085 (8)0.0007 (8)
C320.0227 (11)0.0120 (10)0.0223 (11)−0.0006 (8)0.0105 (9)−0.0001 (8)
C330.0174 (10)0.0154 (10)0.0216 (11)0.0016 (8)0.0109 (9)−0.0004 (8)
C340.0114 (9)0.0161 (10)0.0134 (9)0.0003 (7)0.0051 (7)−0.0008 (8)
C350.0136 (9)0.0171 (11)0.0236 (11)0.0001 (8)0.0097 (8)0.0012 (8)
C360.0202 (10)0.0164 (10)0.0285 (12)0.0043 (8)0.0127 (9)0.0032 (9)
C370.0150 (10)0.0208 (11)0.0239 (11)0.0044 (8)0.0102 (9)0.0005 (9)
C380.0129 (9)0.0214 (11)0.0198 (11)0.0011 (8)0.0086 (8)0.0022 (9)
C390.0162 (9)0.0196 (11)0.0148 (10)0.0041 (8)0.0079 (8)−0.0002 (8)
C400.0227 (11)0.0238 (12)0.0330 (13)0.0066 (9)0.0172 (10)0.0054 (10)
C410.0166 (10)0.0271 (12)0.0156 (10)−0.0036 (9)0.0068 (8)−0.0060 (9)
C420.0188 (10)0.0203 (11)0.0181 (11)−0.0015 (8)0.0092 (9)−0.0007 (8)
C430.0181 (10)0.0186 (11)0.0226 (11)−0.0009 (8)0.0098 (9)0.0029 (9)
C440.0163 (10)0.0183 (11)0.0210 (11)0.0010 (8)0.0087 (9)−0.0006 (9)
Geometric parameters (Å, °) top
Mn1—O12.301 (2)N11—C281.330 (3)
Mn1—O22.396 (2)N11—C271.341 (3)
Mn1—O1w2.119 (2)N12—C381.335 (3)
Mn1—O2w2.146 (2)N12—C341.345 (3)
Mn1—N12.389 (2)C1—C21.391 (3)
Mn1—N22.261 (2)C1—H10.9500
Mn1—N32.411 (2)C2—C31.384 (3)
Mn2—O32.440 (2)C2—H20.9500
Mn2—O42.293 (2)C3—C41.383 (3)
Mn2—O3w2.127 (2)C3—H30.9500
Mn2—O4w2.135 (2)C4—C51.380 (3)
Mn2—N72.400 (2)C4—H40.9500
Mn2—N82.279 (2)C5—C61.480 (3)
Mn2—N92.386 (2)C7—C141.485 (3)
F1—C201.330 (3)C8—C91.480 (3)
F2—C201.324 (3)C9—C101.384 (3)
F3—C201.316 (3)C10—C111.389 (3)
F4—C401.330 (3)C10—H100.9500
F5—C401.340 (3)C11—C121.382 (3)
F6—C401.312 (3)C11—H110.9500
F7—C421.333 (3)C12—C131.392 (3)
F8—C421.334 (3)C12—H120.9500
F9—C421.330 (3)C13—H130.9500
F10—C441.337 (3)C14—C151.386 (3)
F11—C441.339 (2)C15—C161.389 (3)
F12—C441.348 (3)C15—H150.9500
O1—C191.240 (3)C16—C171.384 (3)
O2—C191.248 (3)C16—H160.9500
O3—C391.252 (3)C17—C181.388 (3)
O4—C391.235 (3)C17—H170.9500
O5—C411.244 (3)C18—H180.9500
O6—C411.232 (3)C19—C201.542 (3)
O7—C431.238 (3)C21—C221.390 (3)
O8—C431.236 (3)C21—H210.9500
O1w—H1w10.84 (3)C22—C231.381 (3)
O1w—H1w20.84 (3)C22—H220.9500
O2w—H2w10.84 (3)C23—C241.387 (3)
O2w—H2w20.84 (3)C23—H230.9500
O3w—H3w10.84 (3)C24—C251.380 (3)
O3w—H3w20.84 (3)C24—H240.9500
O4w—H4w10.84 (3)C25—C261.481 (3)
O4w—H4w20.84 (3)C27—C341.486 (3)
N1—C11.332 (3)C28—C291.479 (3)
N1—C51.347 (3)C29—C301.390 (3)
N2—C61.328 (3)C30—C311.387 (3)
N2—C81.341 (3)C30—H300.9500
N3—C131.331 (3)C31—C321.382 (3)
N3—C91.352 (3)C31—H310.9500
N4—C61.333 (3)C32—C331.391 (3)
N4—C71.338 (3)C32—H320.9500
N5—C81.331 (3)C33—H330.9500
N5—C71.341 (3)C34—C351.384 (3)
N6—C181.333 (3)C35—C361.391 (3)
N6—C141.346 (3)C35—H350.9500
N7—C211.336 (3)C36—C371.380 (3)
N7—C251.349 (3)C36—H360.9500
N8—C261.333 (3)C37—C381.388 (3)
N8—C281.333 (3)C37—H370.9500
N9—C331.336 (3)C38—H380.9500
N9—C291.344 (3)C39—C401.546 (3)
N10—C261.335 (3)C41—C421.556 (3)
N10—C271.337 (3)C43—C441.548 (3)
O1w—Mn1—O2w175.89 (6)C12—C11—H11120.8
O1w—Mn1—N286.97 (6)C10—C11—H11120.8
O2w—Mn1—N288.92 (6)C11—C12—C13119.1 (2)
O1w—Mn1—O190.24 (6)C11—C12—H12120.4
O2w—Mn1—O193.43 (6)C13—C12—H12120.4
N2—Mn1—O1152.20 (6)N3—C13—C12123.3 (2)
O1w—Mn1—N190.44 (6)N3—C13—H13118.4
O2w—Mn1—N188.19 (6)C12—C13—H13118.4
N1—Mn1—N269.67 (6)N6—C14—C15123.30 (19)
O1—Mn1—N182.71 (6)N6—C14—C7115.48 (18)
O1w—Mn1—O298.86 (6)C15—C14—C7121.21 (18)
O2w—Mn1—O284.74 (6)C14—C15—C16118.39 (19)
N2—Mn1—O2151.37 (6)C14—C15—H15120.8
O1—Mn1—O256.30 (5)C16—C15—H15120.8
N1—Mn1—O2137.72 (6)C17—C16—C15118.9 (2)
O1w—Mn1—N384.67 (6)C17—C16—H16120.6
O2w—Mn1—N393.79 (6)C15—C16—H16120.6
N1—Mn1—N3138.46 (6)C16—C17—C18118.6 (2)
N2—Mn1—N368.89 (6)C16—C17—H17120.7
O1—Mn1—N3138.36 (6)C18—C17—H17120.7
O2—Mn1—N383.67 (6)N6—C18—C17123.5 (2)
O3w—Mn2—O4w176.32 (7)N6—C18—H18118.3
O3w—Mn2—N887.81 (6)C17—C18—H18118.3
O4w—Mn2—N890.92 (6)O1—C19—O2126.0 (2)
O3w—Mn2—O482.22 (6)O1—C19—C20115.96 (19)
O4w—Mn2—O4100.56 (6)O2—C19—C20118.01 (19)
N8—Mn2—O4149.21 (6)F3—C20—F2107.1 (2)
O3w—Mn2—N995.84 (6)F3—C20—F1107.7 (2)
O4w—Mn2—N986.93 (6)F2—C20—F1106.6 (2)
N7—Mn2—N868.46 (6)F3—C20—C19112.7 (2)
N7—Mn2—N9137.33 (6)F2—C20—C19111.9 (2)
N8—Mn2—N969.20 (6)F1—C20—C19110.60 (18)
O4—Mn2—N982.87 (6)N7—C21—C22122.9 (2)
O3w—Mn2—N787.62 (6)N7—C21—H21118.5
O4w—Mn2—N788.70 (6)C22—C21—H21118.5
O4—Mn2—N7139.49 (6)C23—C22—C21119.4 (2)
O3w—Mn2—O394.37 (6)C23—C22—H22120.3
O4w—Mn2—O385.30 (6)C21—C22—H22120.3
N8—Mn2—O3154.58 (6)C22—C23—C24118.1 (2)
O4—Mn2—O355.78 (5)C22—C23—H23120.9
N9—Mn2—O3135.41 (6)C24—C23—H23120.9
N7—Mn2—O386.31 (6)C25—C24—C23119.0 (2)
C19—O1—Mn191.12 (13)C25—C24—H24120.5
C19—O2—Mn186.56 (12)C23—C24—H24120.5
C39—O3—Mn285.32 (12)N7—C25—C24123.45 (19)
C39—O4—Mn292.45 (13)N7—C25—C26115.02 (18)
Mn1—O1w—H1w1129.2 (17)C24—C25—C26121.51 (18)
Mn1—O1w—H1w2119.8 (17)N8—C26—N10124.61 (18)
H1w1—O1w—H1w2110.4 (16)N8—C26—C25115.88 (17)
Mn1—O2w—H2w1121.8 (17)N10—C26—C25119.51 (18)
Mn1—O2w—H2w2124.5 (17)N10—C27—N11125.50 (18)
H2w1—O2w—H2w2109.2 (15)N10—C27—C34117.58 (18)
Mn2—O3w—H3w1122.4 (16)N11—C27—C34116.89 (17)
Mn2—O3w—H3w2127.4 (16)N11—C28—N8124.55 (19)
H3w1—O3w—H3w2110.1 (15)N11—C28—C29119.10 (18)
Mn2—O4w—H4w1126.3 (18)N8—C28—C29116.30 (17)
Mn2—O4w—H4w2116.9 (17)N9—C29—C30123.49 (19)
H4w1—O4w—H4w2109.6 (15)N9—C29—C28115.60 (18)
C1—N1—C5116.85 (18)C30—C29—C28120.85 (18)
C1—N1—Mn1126.24 (14)C31—C30—C29117.87 (19)
C5—N1—Mn1116.90 (13)C31—C30—H30121.1
C6—N2—C8116.00 (18)C29—C30—H30121.1
C6—N2—Mn1121.20 (14)C32—C31—C30119.18 (19)
C8—N2—Mn1122.67 (13)C32—C31—H31120.4
C13—N3—C9117.09 (18)C30—C31—H31120.4
C13—N3—Mn1125.48 (14)C31—C32—C33119.1 (2)
C9—N3—Mn1117.11 (13)C31—C32—H32120.4
C6—N4—C7114.69 (17)C33—C32—H32120.4
C8—N5—C7114.63 (18)N9—C33—C32122.46 (19)
C18—N6—C14117.34 (18)N9—C33—H33118.8
C21—N7—C25117.08 (18)C32—C33—H33118.8
C21—N7—Mn2124.84 (14)N12—C34—C35122.91 (19)
C25—N7—Mn2118.08 (13)N12—C34—C27116.23 (18)
C26—N8—C28115.94 (17)C35—C34—C27120.82 (18)
C26—N8—Mn2122.56 (13)C34—C35—C36118.7 (2)
C28—N8—Mn2121.36 (14)C34—C35—H35120.6
C33—N9—C29117.85 (18)C36—C35—H35120.6
C33—N9—Mn2124.48 (14)C37—C36—C35118.8 (2)
C29—N9—Mn2117.52 (14)C37—C36—H36120.6
C26—N10—C27114.58 (18)C35—C36—H36120.6
C28—N11—C27114.76 (17)C36—C37—C38118.6 (2)
C38—N12—C34117.62 (19)C36—C37—H37120.7
N1—C1—C2123.4 (2)C38—C37—H37120.7
N1—C1—H1118.3N12—C38—C37123.3 (2)
C2—C1—H1118.3N12—C38—H38118.3
C3—C2—C1118.7 (2)C37—C38—H38118.3
C3—C2—H2120.7O4—C39—O3126.2 (2)
C1—C2—H2120.7O4—C39—C40116.2 (2)
C4—C3—C2118.8 (2)O3—C39—C40117.59 (19)
C4—C3—H3120.6F6—C40—F4108.5 (2)
C2—C3—H3120.6F6—C40—F5107.8 (2)
C5—C4—C3118.4 (2)F4—C40—F5105.76 (19)
C5—C4—H4120.8F6—C40—C39110.3 (2)
C3—C4—H4120.8F4—C40—C39112.11 (19)
N1—C5—C4123.83 (19)F5—C40—C39112.1 (2)
N1—C5—C6115.22 (18)O6—C41—O5129.4 (2)
C4—C5—C6120.96 (18)O6—C41—C42116.24 (19)
N2—C6—N4124.64 (19)O5—C41—C42114.4 (2)
N2—C6—C5116.96 (18)F9—C42—F7106.66 (19)
N4—C6—C5118.40 (18)F9—C42—F8105.82 (19)
N4—C7—N5125.51 (19)F7—C42—F8106.99 (18)
N4—C7—C14116.71 (18)F9—C42—C41112.29 (18)
N5—C7—C14117.78 (18)F7—C42—C41112.10 (18)
N5—C8—N2124.42 (19)F8—C42—C41112.55 (18)
N5—C8—C9119.68 (18)O8—C43—O7129.6 (2)
N2—C8—C9115.87 (18)O8—C43—C44115.82 (19)
N3—C9—C10123.41 (19)O7—C43—C44114.54 (19)
N3—C9—C8115.40 (18)F10—C44—F11106.79 (17)
C10—C9—C8121.13 (18)F10—C44—F12106.31 (18)
C9—C10—C11118.67 (19)F11—C44—F12106.29 (18)
C9—C10—H10120.7F10—C44—C43111.95 (18)
C11—C10—H10120.7F11—C44—C43113.18 (18)
C12—C11—C10118.4 (2)F12—C44—C43111.86 (18)
O1w—Mn1—O1—C19100.41 (13)C7—N5—C8—N2−0.6 (3)
O2w—Mn1—O1—C19−81.45 (13)C7—N5—C8—C9177.49 (18)
N2—Mn1—O1—C19−175.64 (14)C6—N2—C8—N52.7 (3)
N1—Mn1—O1—C19−169.19 (13)Mn1—N2—C8—N5178.60 (15)
O2—Mn1—O1—C19−0.09 (12)C6—N2—C8—C9−175.49 (17)
N3—Mn1—O1—C1918.16 (17)Mn1—N2—C8—C90.4 (2)
O1w—Mn1—O2—C19−84.24 (13)C13—N3—C9—C10−0.5 (3)
O2w—Mn1—O2—C1997.77 (13)Mn1—N3—C9—C10−174.35 (16)
N2—Mn1—O2—C19175.76 (13)C13—N3—C9—C8176.72 (18)
O1—Mn1—O2—C190.09 (12)Mn1—N3—C9—C82.9 (2)
N1—Mn1—O2—C1916.29 (16)N5—C8—C9—N3179.52 (18)
N3—Mn1—O2—C19−167.82 (13)N2—C8—C9—N3−2.2 (3)
O3w—Mn2—O3—C39−74.81 (13)N5—C8—C9—C10−3.2 (3)
O4w—Mn2—O3—C39108.87 (13)N2—C8—C9—C10175.05 (19)
N8—Mn2—O3—C39−168.92 (14)N3—C9—C10—C111.1 (3)
O4—Mn2—O3—C392.71 (12)C8—C9—C10—C11−175.97 (19)
N9—Mn2—O3—C3928.07 (16)C9—C10—C11—C12−0.5 (3)
N7—Mn2—O3—C39−162.13 (13)C10—C11—C12—C13−0.5 (3)
O3w—Mn2—O4—C3997.98 (13)C9—N3—C13—C12−0.7 (3)
O4w—Mn2—O4—C39−79.58 (13)Mn1—N3—C13—C12172.63 (17)
N8—Mn2—O4—C39170.25 (13)C11—C12—C13—N31.2 (4)
N9—Mn2—O4—C39−165.10 (13)C18—N6—C14—C150.1 (3)
N7—Mn2—O4—C3920.95 (17)C18—N6—C14—C7179.21 (18)
O3—Mn2—O4—C39−2.74 (12)N4—C7—C14—N6−6.9 (3)
O1w—Mn1—N1—C193.77 (18)N5—C7—C14—N6173.81 (18)
O2w—Mn1—N1—C1−90.11 (18)N4—C7—C14—C15172.19 (19)
N2—Mn1—N1—C1−179.62 (19)N5—C7—C14—C15−7.1 (3)
O1—Mn1—N1—C13.58 (17)N6—C14—C15—C16−1.2 (3)
O2—Mn1—N1—C1−9.9 (2)C7—C14—C15—C16179.82 (19)
N3—Mn1—N1—C1176.22 (16)C14—C15—C16—C171.1 (3)
O1w—Mn1—N1—C5−87.45 (15)C15—C16—C17—C18−0.1 (3)
O2w—Mn1—N1—C588.67 (15)C14—N6—C18—C170.9 (3)
N2—Mn1—N1—C5−0.85 (14)C16—C17—C18—N6−0.9 (3)
O1—Mn1—N1—C5−177.64 (15)Mn1—O1—C19—O20.2 (2)
O2—Mn1—N1—C5168.83 (13)Mn1—O1—C19—C20179.06 (17)
N3—Mn1—N1—C5−5.01 (19)Mn1—O2—C19—O1−0.2 (2)
O1w—Mn1—N2—C691.00 (16)Mn1—O2—C19—C20−179.03 (18)
O2w—Mn1—N2—C6−89.06 (16)O1—C19—C20—F3170.2 (2)
O1—Mn1—N2—C66.2 (2)O2—C19—C20—F3−10.8 (3)
N1—Mn1—N2—C6−0.59 (15)O1—C19—C20—F249.5 (3)
O2—Mn1—N2—C6−166.02 (14)O2—C19—C20—F2−131.5 (2)
N3—Mn1—N2—C6176.46 (17)O1—C19—C20—F1−69.1 (3)
O1w—Mn1—N2—C8−84.72 (16)O2—C19—C20—F1109.8 (2)
O2w—Mn1—N2—C895.22 (16)C25—N7—C21—C22−0.4 (3)
O1—Mn1—N2—C8−169.47 (14)Mn2—N7—C21—C22179.78 (17)
N1—Mn1—N2—C8−176.31 (17)N7—C21—C22—C230.2 (4)
O2—Mn1—N2—C818.3 (2)C21—C22—C23—C240.0 (3)
N3—Mn1—N2—C80.74 (15)C22—C23—C24—C250.0 (3)
O1w—Mn1—N3—C13−86.45 (18)C21—N7—C25—C240.4 (3)
O2w—Mn1—N3—C1397.38 (18)Mn2—N7—C25—C24−179.75 (16)
N2—Mn1—N3—C13−175.25 (19)C21—N7—C25—C26−178.43 (18)
O1—Mn1—N3—C13−2.1 (2)Mn2—N7—C25—C261.4 (2)
N1—Mn1—N3—C13−171.07 (16)C23—C24—C25—N7−0.2 (3)
O2—Mn1—N3—C1313.10 (17)C23—C24—C25—C26178.58 (19)
C19—Mn1—N3—C136.95 (19)C28—N8—C26—N10−3.1 (3)
O1w—Mn1—N3—C986.84 (15)Mn2—N8—C26—N10−178.80 (15)
O2w—Mn1—N3—C9−89.33 (15)C28—N8—C26—C25175.82 (17)
N2—Mn1—N3—C9−1.96 (14)Mn2—N8—C26—C250.1 (2)
O1—Mn1—N3—C9171.19 (13)C27—N10—C26—N81.5 (3)
N1—Mn1—N3—C92.22 (19)C27—N10—C26—C25−177.44 (18)
O2—Mn1—N3—C9−173.61 (15)N7—C25—C26—N8−1.0 (3)
C19—Mn1—N3—C9−179.75 (14)C24—C25—C26—N8−179.91 (19)
O3w—Mn2—N7—C21−92.60 (17)N7—C25—C26—N10177.98 (18)
O4w—Mn2—N7—C2187.32 (17)C24—C25—C26—N10−0.9 (3)
N8—Mn2—N7—C21178.82 (19)C26—N10—C27—N110.8 (3)
O4—Mn2—N7—C21−17.5 (2)C26—N10—C27—C34178.67 (17)
N9—Mn2—N7—C21171.37 (15)C28—N11—C27—N10−1.1 (3)
O3—Mn2—N7—C211.95 (17)C28—N11—C27—C34−179.02 (17)
O3w—Mn2—N7—C2587.61 (15)C27—N11—C28—N8−0.8 (3)
O4w—Mn2—N7—C25−92.48 (15)C27—N11—C28—C29176.68 (18)
N8—Mn2—N7—C25−0.98 (14)C26—N8—C28—N112.7 (3)
O4—Mn2—N7—C25162.70 (13)Mn2—N8—C28—N11178.47 (15)
N9—Mn2—N7—C25−8.42 (19)C26—N8—C28—C29−174.77 (17)
O3—Mn2—N7—C25−177.85 (15)Mn2—N8—C28—C291.0 (2)
O3w—Mn2—N8—C26−87.89 (16)C33—N9—C29—C30−0.9 (3)
O4w—Mn2—N8—C2688.65 (16)Mn2—N9—C29—C30−176.60 (16)
O4—Mn2—N8—C26−158.70 (14)C33—N9—C29—C28176.44 (18)
N9—Mn2—N8—C26175.02 (17)Mn2—N9—C29—C280.7 (2)
N7—Mn2—N8—C260.41 (15)N11—C28—C29—N9−178.75 (18)
O3—Mn2—N8—C267.7 (2)N8—C28—C29—N9−1.1 (3)
O3w—Mn2—N8—C2896.66 (16)N11—C28—C29—C30−1.3 (3)
O4w—Mn2—N8—C28−86.80 (16)N8—C28—C29—C30176.31 (19)
O4—Mn2—N8—C2825.8 (2)N9—C29—C30—C311.9 (3)
N9—Mn2—N8—C28−0.43 (15)C28—C29—C30—C31−175.32 (19)
N7—Mn2—N8—C28−175.04 (17)C29—C30—C31—C32−1.4 (3)
O3—Mn2—N8—C28−167.76 (14)C30—C31—C32—C330.1 (3)
O3w—Mn2—N9—C3398.99 (17)C29—N9—C33—C32−0.5 (3)
O4w—Mn2—N9—C33−83.44 (17)Mn2—N9—C33—C32174.84 (16)
N8—Mn2—N9—C33−175.60 (18)C31—C32—C33—N90.9 (3)
O4—Mn2—N9—C3317.61 (17)C38—N12—C34—C35−1.0 (3)
N7—Mn2—N9—C33−168.19 (15)C38—N12—C34—C27176.44 (18)
O3—Mn2—N9—C33−3.3 (2)N10—C27—C34—N12162.14 (18)
O3w—Mn2—N9—C29−85.62 (15)N11—C27—C34—N12−19.8 (3)
O4w—Mn2—N9—C2991.94 (15)N10—C27—C34—C35−20.4 (3)
N8—Mn2—N9—C29−0.21 (14)N11—C27—C34—C35157.7 (2)
O4—Mn2—N9—C29−167.00 (15)N12—C34—C35—C361.3 (3)
N7—Mn2—N9—C297.20 (19)C27—C34—C35—C36−176.0 (2)
O3—Mn2—N9—C29172.08 (13)C34—C35—C36—C37−0.5 (3)
C5—N1—C1—C2−1.3 (3)C35—C36—C37—C38−0.5 (3)
Mn1—N1—C1—C2177.52 (16)C34—N12—C38—C37−0.1 (3)
N1—C1—C2—C30.6 (3)C36—C37—C38—N120.8 (3)
C1—C2—C3—C40.2 (3)Mn2—O4—C39—O35.5 (2)
C2—C3—C4—C5−0.3 (3)Mn2—O4—C39—C40−175.65 (17)
C1—N1—C5—C41.1 (3)Mn2—O3—C39—O4−5.2 (2)
Mn1—N1—C5—C4−177.78 (16)Mn2—O3—C39—C40175.99 (18)
C1—N1—C5—C6−179.11 (18)O4—C39—C40—F6−84.0 (3)
Mn1—N1—C5—C62.0 (2)O3—C39—C40—F694.9 (3)
C3—C4—C5—N1−0.3 (3)O4—C39—C40—F437.0 (3)
C3—C4—C5—C6179.9 (2)O3—C39—C40—F4−144.0 (2)
C8—N2—C6—N4−1.8 (3)O4—C39—C40—F5155.8 (2)
Mn1—N2—C6—N4−177.75 (15)O3—C39—C40—F5−25.2 (3)
C8—N2—C6—C5177.83 (18)O6—C41—C42—F9130.8 (2)
Mn1—N2—C6—C51.8 (2)O5—C41—C42—F9−48.3 (3)
C7—N4—C6—N2−1.1 (3)O6—C41—C42—F7−109.1 (2)
C7—N4—C6—C5179.33 (18)O5—C41—C42—F771.8 (3)
N1—C5—C6—N2−2.5 (3)O6—C41—C42—F811.5 (3)
C4—C5—C6—N2177.27 (19)O5—C41—C42—F8−167.6 (2)
N1—C5—C6—N4177.10 (18)O8—C43—C44—F10−110.1 (2)
C4—C5—C6—N4−3.1 (3)O7—C43—C44—F1069.7 (3)
C6—N4—C7—N53.5 (3)O8—C43—C44—F1110.7 (3)
C6—N4—C7—C14−175.73 (17)O7—C43—C44—F11−169.6 (2)
C8—N5—C7—N4−2.7 (3)O8—C43—C44—F12130.7 (2)
C8—N5—C7—C14176.52 (17)O7—C43—C44—F12−49.5 (3)
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O1w—H1w1···O50.84 (3)1.82 (3)2.661 (2)176 (3)
O1w—H1w2···N120.84 (3)1.94 (3)2.765 (2)166 (3)
O2w—H2w1···O2i0.84 (3)1.96 (3)2.789 (2)169 (3)
O2w—H2w2···O8ii0.84 (3)1.85 (3)2.679 (2)167 (3)
O3w—H3w1···N60.84 (3)1.98 (3)2.798 (2)167 (2)
O3w—H3w2···O70.84 (3)1.86 (3)2.703 (2)175 (3)
O4w—H4w1···O3iii0.84 (3)1.95 (3)2.782 (2)170 (3)
O4w—H4w2···O6iv0.84 (3)1.87 (3)2.672 (2)160 (2)
Symmetry codes: (i) −x+3/2, −y+3/2, −z+1; (ii) −x+1, −y+2, −z+1; (iii) −x+1, y, −z+3/2; (iv) −x+3/2, y−1/2, −z+3/2.
Table 1
Selected geometric parameters (Å, °) top
Mn1—O12.301 (2)Mn2—O32.440 (2)
Mn1—O22.396 (2)Mn2—O42.293 (2)
Mn1—O1w2.119 (2)Mn2—O3w2.127 (2)
Mn1—O2w2.146 (2)Mn2—O4w2.135 (2)
Mn1—N12.389 (2)Mn2—N72.400 (2)
Mn1—N22.261 (2)Mn2—N82.279 (2)
Mn1—N32.411 (2)Mn2—N92.386 (2)
N1—Mn1—N269.67 (6)N7—Mn2—N868.46 (6)
N1—Mn1—N3138.46 (6)N7—Mn2—N9137.33 (6)
N2—Mn1—N368.89 (6)N8—Mn2—N969.20 (6)
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O1w—H1w1···O50.84 (3)1.82 (3)2.661 (2)176 (3)
O1w—H1w2···N120.84 (3)1.94 (3)2.765 (2)166 (3)
O2w—H2w1···O2i0.84 (3)1.96 (3)2.789 (2)169 (3)
O2w—H2w2···O8ii0.84 (3)1.85 (3)2.679 (2)167 (3)
O3w—H3w1···N60.84 (3)1.98 (3)2.798 (2)167 (2)
O3w—H3w2···O70.84 (3)1.86 (3)2.703 (2)175 (3)
O4w—H4w1···O3iii0.84 (3)1.95 (3)2.782 (2)170 (3)
O4w—H4w2···O6iv0.84 (3)1.87 (3)2.672 (2)160 (2)
Symmetry codes: (i) −x+3/2, −y+3/2, −z+1; (ii) −x+1, −y+2, −z+1; (iii) −x+1, y, −z+3/2; (iv) −x+3/2, y−1/2, −z+3/2.
Acknowledgements top

We thank the University of Malaya for funding this study (FS339/2008A).

references
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