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In the title centrosymmetric compound, [Mn2(C8H3BrO4)2(C12H8N2)4].4H2O, the MnII atom is surrounded by two O atoms from two 4-bromo­isophthalate dianions and four N atoms from two phen (phen is 1,10-phenanthroline) heterocycles in a distorted octahedral geometry. Two bromo­isophthalate dianions link two [Mn(phen)2]2+ cations in bis-monodentate mode, resulting in a binuclear complex.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805003004/ci6516sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805003004/ci6516Isup2.hkl
Contains datablock I

CCDC reference: 269406

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.075
  • wR factor = 0.153
  • Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H5B .. H6A .. 1.87 Ang.
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O1 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT731_ALERT_1_C Bond Calc 0.85(8), Rep 0.86(2) ...... 4.00 su-Rat O6 -H6B 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.87(5), Rep 0.87(2) ...... 2.50 su-Rat O6 -H6A 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 105(7), Rep 105(3) ...... 2.33 su-Rat H6B -O6 -H6A 1.555 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(8), Rep 0.86(2) ...... 4.00 su-Rat O6 -H6B 1.555 1.555
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2002); software used to prepare material for publication: SHELXL97.

Bis(µ-4-bromoisophthalato)bis[bis(1,10-phenanthroline)manganese(II)] tetrahydrate top
Crystal data top
[Mn2(C8H3BrO4)2(C12H8N2)4]·4H2OZ = 1
Mr = 1388.79F(000) = 702
Triclinic, P1Dx = 1.572 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.2104 (14) ÅCell parameters from 2167 reflections
b = 12.1592 (16) Åθ = 2.3–21.0°
c = 13.9932 (19) ŵ = 1.87 mm1
α = 66.705 (2)°T = 298 K
β = 70.878 (2)°Prism, yellow
γ = 70.700 (2)°0.27 × 0.13 × 0.08 mm
V = 1466.6 (3) Å3
Data collection top
Bruker SMART CCD area-detector
diffractometer
5245 independent reflections
Radiation source: fine-focus sealed tube4112 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.032
φ and ω scansθmax = 25.2°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1212
Tmin = 0.633, Tmax = 0.865k = 1414
10863 measured reflectionsl = 1616
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)] = 0.075Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.153H atoms treated by a mixture of independent and constrained refinement
S = 1.20 w = 1/[σ2(Fo2) + (0.0627P)2 + 0.3548P]
where P = (Fo2 + 2Fc2)/3
5245 reflections(Δ/σ)max = 0.001
412 parametersΔρmax = 0.59 e Å3
3 restraintsΔρmin = 0.34 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Mn10.26127 (7)0.29803 (6)0.74514 (5)0.0359 (2)
Br11.03719 (6)0.22275 (6)0.23557 (5)0.0719 (3)
O10.4510 (4)0.2494 (3)0.6412 (3)0.0612 (10)
O20.5045 (5)0.0483 (4)0.6736 (3)0.0727 (12)
O30.7230 (4)0.5163 (3)0.3212 (3)0.0570 (10)
O40.7724 (5)0.4466 (4)0.1854 (3)0.0708 (12)
O50.5891 (7)0.3390 (7)0.1514 (5)0.0924 (17)
H5A0.654 (7)0.358 (6)0.164 (5)0.08 (2)*
H5B0.555 (8)0.288 (8)0.208 (6)0.10 (3)*
O60.4739 (8)0.1674 (6)0.3513 (6)0.121 (2)
H6B0.436 (7)0.106 (5)0.376 (8)0.182*
H6A0.562 (3)0.140 (6)0.322 (5)0.09 (3)*
N10.1320 (4)0.3143 (4)0.6312 (3)0.0429 (10)
N20.0258 (4)0.3773 (3)0.8122 (3)0.0381 (9)
N30.2128 (4)0.1059 (4)0.8460 (3)0.0427 (10)
N40.3313 (4)0.2357 (4)0.8997 (3)0.0408 (10)
C10.1859 (6)0.2829 (5)0.5429 (4)0.0571 (15)
H10.28330.24990.52530.069*
C20.1022 (8)0.2975 (6)0.4755 (5)0.0702 (18)
H20.14300.27460.41420.084*
C30.0403 (8)0.3459 (5)0.5012 (5)0.0709 (19)
H30.09730.35660.45680.085*
C40.1018 (6)0.3795 (5)0.5938 (4)0.0533 (14)
C50.2490 (7)0.4309 (6)0.6255 (6)0.0740 (19)
H50.31030.44110.58450.089*
C60.3017 (7)0.4652 (6)0.7131 (5)0.0684 (17)
H60.39860.49960.73130.082*
C70.2118 (6)0.4499 (5)0.7793 (4)0.0501 (13)
C80.2612 (6)0.4838 (5)0.8725 (5)0.0623 (16)
H80.35720.51910.89360.075*
C90.1692 (6)0.4650 (5)0.9312 (4)0.0583 (15)
H90.20090.48740.99280.070*
C100.0269 (6)0.4118 (5)0.8982 (4)0.0488 (13)
H100.03540.39960.93920.059*
C110.0658 (5)0.3967 (4)0.7526 (4)0.0402 (11)
C120.0094 (6)0.3613 (4)0.6572 (4)0.0428 (12)
C130.1609 (6)0.0386 (5)0.8191 (5)0.0593 (15)
H130.13940.07060.75220.071*
C140.1364 (7)0.0766 (5)0.8843 (6)0.0694 (17)
H140.10190.12120.86090.083*
C150.1640 (6)0.1223 (5)0.9828 (5)0.0644 (16)
H150.14570.19811.02880.077*
C160.2194 (5)0.0568 (5)1.0156 (4)0.0513 (14)
C170.2546 (7)0.1010 (6)1.1173 (5)0.0706 (18)
H170.23530.17531.16630.085*
C180.3146 (7)0.0374 (6)1.1429 (5)0.0692 (18)
H180.33700.06881.20940.083*
C190.3451 (5)0.0772 (5)1.0712 (4)0.0491 (13)
C200.4117 (6)0.1447 (6)1.0935 (5)0.0626 (17)
H200.43750.11571.15860.075*
C210.4388 (6)0.2526 (6)1.0204 (5)0.0613 (16)
H210.48490.29741.03400.074*
C220.3960 (6)0.2953 (5)0.9240 (4)0.0532 (14)
H220.41420.36980.87450.064*
C230.3067 (5)0.1268 (4)0.9721 (4)0.0376 (11)
C240.2431 (5)0.0574 (4)0.9440 (4)0.0386 (11)
C250.5244 (5)0.1523 (5)0.6206 (4)0.0453 (12)
C260.6463 (5)0.1681 (4)0.5235 (3)0.0372 (11)
C270.6512 (5)0.2837 (4)0.4500 (3)0.0350 (11)
H270.57850.35060.46170.042*
C280.7600 (5)0.3038 (4)0.3596 (3)0.0355 (11)
C290.8698 (5)0.2027 (5)0.3471 (4)0.0418 (12)
C300.8684 (6)0.0870 (5)0.4191 (4)0.0529 (14)
H300.94310.02070.40920.063*
C310.7559 (6)0.0694 (5)0.5062 (4)0.0509 (14)
H310.75340.00950.55400.061*
C320.7525 (5)0.4329 (5)0.2805 (4)0.0448 (12)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.0430 (4)0.0392 (4)0.0273 (4)0.0115 (3)0.0086 (3)0.0103 (3)
Br10.0539 (4)0.0979 (5)0.0642 (4)0.0220 (3)0.0118 (3)0.0433 (4)
O10.058 (2)0.059 (2)0.053 (2)0.012 (2)0.0125 (19)0.0264 (19)
O20.093 (3)0.055 (3)0.052 (2)0.029 (2)0.003 (2)0.004 (2)
O30.078 (3)0.040 (2)0.049 (2)0.0203 (19)0.0037 (19)0.0136 (17)
O40.116 (4)0.066 (3)0.035 (2)0.038 (2)0.023 (2)0.0029 (19)
O50.083 (4)0.123 (5)0.094 (4)0.031 (4)0.034 (3)0.040 (4)
O60.131 (6)0.116 (5)0.141 (6)0.049 (4)0.012 (5)0.065 (5)
N10.056 (3)0.043 (2)0.035 (2)0.007 (2)0.017 (2)0.0161 (19)
N20.046 (2)0.042 (2)0.031 (2)0.0128 (19)0.0087 (18)0.0143 (18)
N30.044 (2)0.045 (2)0.042 (2)0.013 (2)0.0114 (19)0.013 (2)
N40.039 (2)0.043 (2)0.043 (2)0.0073 (19)0.0136 (19)0.015 (2)
C10.072 (4)0.058 (4)0.043 (3)0.005 (3)0.016 (3)0.024 (3)
C20.108 (6)0.065 (4)0.047 (3)0.010 (4)0.030 (4)0.025 (3)
C30.109 (6)0.062 (4)0.068 (4)0.012 (4)0.058 (4)0.023 (3)
C40.069 (4)0.048 (3)0.056 (3)0.011 (3)0.035 (3)0.016 (3)
C50.065 (4)0.083 (5)0.089 (5)0.013 (4)0.049 (4)0.022 (4)
C60.049 (4)0.064 (4)0.090 (5)0.007 (3)0.026 (3)0.020 (4)
C70.052 (3)0.040 (3)0.054 (3)0.013 (3)0.010 (3)0.011 (3)
C80.052 (3)0.059 (4)0.066 (4)0.010 (3)0.004 (3)0.025 (3)
C90.063 (4)0.069 (4)0.045 (3)0.020 (3)0.004 (3)0.029 (3)
C100.060 (4)0.055 (3)0.036 (3)0.020 (3)0.004 (3)0.018 (2)
C110.045 (3)0.035 (3)0.041 (3)0.010 (2)0.013 (2)0.010 (2)
C120.054 (3)0.036 (3)0.044 (3)0.011 (2)0.022 (2)0.010 (2)
C130.065 (4)0.057 (4)0.061 (4)0.015 (3)0.023 (3)0.017 (3)
C140.070 (4)0.051 (4)0.097 (5)0.023 (3)0.022 (4)0.024 (4)
C150.062 (4)0.039 (3)0.081 (5)0.017 (3)0.014 (3)0.005 (3)
C160.042 (3)0.042 (3)0.054 (3)0.004 (2)0.007 (3)0.006 (3)
C170.083 (5)0.053 (4)0.047 (4)0.010 (3)0.009 (3)0.005 (3)
C180.076 (4)0.063 (4)0.039 (3)0.006 (3)0.019 (3)0.000 (3)
C190.045 (3)0.054 (3)0.038 (3)0.009 (3)0.012 (2)0.019 (3)
C200.061 (4)0.080 (5)0.050 (3)0.009 (3)0.030 (3)0.031 (3)
C210.059 (4)0.072 (4)0.073 (4)0.001 (3)0.032 (3)0.041 (4)
C220.052 (3)0.051 (3)0.064 (4)0.007 (3)0.025 (3)0.019 (3)
C230.028 (2)0.041 (3)0.035 (3)0.004 (2)0.005 (2)0.014 (2)
C240.031 (3)0.035 (3)0.039 (3)0.001 (2)0.008 (2)0.009 (2)
C250.048 (3)0.053 (3)0.035 (3)0.017 (3)0.013 (2)0.007 (3)
C260.044 (3)0.038 (3)0.032 (3)0.007 (2)0.017 (2)0.010 (2)
C270.034 (3)0.038 (3)0.035 (2)0.004 (2)0.011 (2)0.015 (2)
C280.044 (3)0.037 (3)0.035 (3)0.012 (2)0.013 (2)0.016 (2)
C290.042 (3)0.053 (3)0.035 (3)0.011 (2)0.003 (2)0.024 (2)
C300.049 (3)0.044 (3)0.058 (3)0.006 (3)0.009 (3)0.024 (3)
C310.059 (3)0.035 (3)0.046 (3)0.003 (3)0.017 (3)0.007 (2)
C320.047 (3)0.048 (3)0.043 (3)0.020 (2)0.010 (2)0.010 (2)
Geometric parameters (Å, º) top
Mn1—O12.073 (3)C8—C91.351 (8)
Mn1—O3i2.114 (3)C8—H80.93
Mn1—N42.263 (4)C9—C101.385 (7)
Mn1—N12.298 (4)C9—H90.93
Mn1—N22.302 (4)C10—H100.93
Mn1—N32.323 (4)C11—C121.445 (7)
Br1—C291.909 (5)C13—C141.389 (8)
O1—C251.258 (6)C13—H130.93
O2—C251.233 (6)C14—C151.355 (8)
O3—C321.259 (6)C14—H140.93
O3—Mn1i2.114 (3)C15—C161.385 (8)
O4—C321.229 (6)C15—H150.93
O5—H5A0.86 (7)C16—C241.398 (7)
O5—H5B0.84 (8)C16—C171.431 (8)
O6—H6B0.86 (2)C17—C181.333 (9)
O6—H6A0.87 (2)C17—H170.93
N1—C11.328 (6)C18—C191.422 (8)
N1—C121.348 (6)C18—H180.93
N2—C101.319 (6)C19—C201.395 (8)
N2—C111.354 (6)C19—C231.406 (6)
N3—C131.324 (6)C20—C211.356 (8)
N3—C241.357 (6)C20—H200.93
N4—C221.318 (6)C21—C221.400 (7)
N4—C231.355 (6)C21—H210.93
C1—C21.396 (8)C22—H220.93
C1—H10.93C23—C241.442 (7)
C2—C31.360 (9)C25—C261.509 (7)
C2—H20.93C26—C271.381 (6)
C3—C41.400 (8)C26—C311.384 (6)
C3—H30.93C27—C281.381 (6)
C4—C121.407 (7)C27—H270.93
C4—C51.417 (8)C28—C291.388 (6)
C5—C61.338 (9)C28—C321.516 (6)
C5—H50.93C29—C301.370 (7)
C6—C71.429 (8)C30—C311.375 (7)
C6—H60.93C30—H300.93
C7—C111.403 (7)C31—H310.93
C7—C81.407 (7)
O1—Mn1—O3i90.08 (14)N1—C12—C4122.6 (5)
O1—Mn1—N4102.00 (15)N1—C12—C11117.9 (4)
O3i—Mn1—N4102.12 (14)C4—C12—C11119.5 (5)
O1—Mn1—N191.14 (15)N3—C13—C14124.2 (6)
O3i—Mn1—N195.19 (14)N3—C13—H13117.9
N4—Mn1—N1158.12 (15)C14—C13—H13117.9
O1—Mn1—N2162.08 (14)C15—C14—C13118.1 (6)
O3i—Mn1—N284.80 (14)C15—C14—H14120.9
N4—Mn1—N295.87 (13)C13—C14—H14120.9
N1—Mn1—N272.30 (14)C14—C15—C16120.5 (5)
O1—Mn1—N3100.59 (15)C14—C15—H15119.8
O3i—Mn1—N3168.72 (14)C16—C15—H15119.8
N4—Mn1—N372.28 (14)C15—C16—C24117.5 (5)
N1—Mn1—N388.28 (14)C15—C16—C17123.4 (5)
N2—Mn1—N386.05 (14)C24—C16—C17119.1 (5)
C25—O1—Mn1135.9 (3)C18—C17—C16121.1 (6)
C32—O3—Mn1i132.5 (3)C18—C17—H17119.4
H5A—O5—H5B107 (7)C16—C17—H17119.4
H6B—O6—H6A105 (3)C17—C18—C19121.7 (6)
C1—N1—C12118.7 (4)C17—C18—H18119.1
C1—N1—Mn1125.2 (4)C19—C18—H18119.1
C12—N1—Mn1116.1 (3)C20—C19—C23117.3 (5)
C10—N2—C11117.4 (4)C20—C19—C18123.5 (5)
C10—N2—Mn1126.9 (3)C23—C19—C18119.2 (5)
C11—N2—Mn1115.6 (3)C21—C20—C19120.0 (5)
C13—N3—C24116.9 (4)C21—C20—H20120.0
C13—N3—Mn1128.0 (4)C19—C20—H20120.0
C24—N3—Mn1115.2 (3)C20—C21—C22118.7 (5)
C22—N4—C23117.6 (4)C20—C21—H21120.6
C22—N4—Mn1125.5 (3)C22—C21—H21120.6
C23—N4—Mn1116.9 (3)N4—C22—C21123.5 (5)
N1—C1—C2122.6 (6)N4—C22—H22118.2
N1—C1—H1118.7C21—C22—H22118.2
C2—C1—H1118.7N4—C23—C19122.8 (5)
C3—C2—C1118.7 (5)N4—C23—C24118.1 (4)
C3—C2—H2120.6C19—C23—C24119.1 (5)
C1—C2—H2120.6N3—C24—C16122.8 (5)
C2—C3—C4120.6 (5)N3—C24—C23117.4 (4)
C2—C3—H3119.7C16—C24—C23119.8 (5)
C4—C3—H3119.7O2—C25—O1125.2 (5)
C3—C4—C12116.8 (5)O2—C25—C26119.2 (5)
C3—C4—C5123.8 (5)O1—C25—C26115.6 (4)
C12—C4—C5119.4 (5)C27—C26—C31118.4 (4)
C6—C5—C4121.4 (6)C27—C26—C25119.8 (4)
C6—C5—H5119.3C31—C26—C25121.7 (4)
C4—C5—H5119.3C28—C27—C26122.4 (4)
C5—C6—C7121.2 (6)C28—C27—H27118.8
C5—C6—H6119.4C26—C27—H27118.8
C7—C6—H6119.4C27—C28—C29117.2 (4)
C11—C7—C8116.8 (5)C27—C28—C32118.7 (4)
C11—C7—C6119.4 (5)C29—C28—C32124.1 (4)
C8—C7—C6123.8 (6)C30—C29—C28121.7 (4)
C9—C8—C7120.0 (5)C30—C29—Br1117.3 (4)
C9—C8—H8120.0C28—C29—Br1120.8 (4)
C7—C8—H8120.0C29—C30—C31119.7 (5)
C8—C9—C10118.8 (5)C29—C30—H30120.2
C8—C9—H9120.6C31—C30—H30120.2
C10—C9—H9120.6C30—C31—C26120.6 (5)
N2—C10—C9124.1 (5)C30—C31—H31119.7
N2—C10—H10118.0C26—C31—H31119.7
C9—C10—H10118.0O4—C32—O3126.8 (5)
N2—C11—C7122.9 (4)O4—C32—C28118.2 (5)
N2—C11—C12118.0 (4)O3—C32—C28115.0 (4)
C7—C11—C12119.0 (5)
O3i—Mn1—O1—C25176.7 (5)C1—N1—C12—C11179.0 (4)
N4—Mn1—O1—C2580.9 (5)Mn1—N1—C12—C110.1 (5)
N1—Mn1—O1—C2581.5 (5)C3—C4—C12—N10.3 (8)
N2—Mn1—O1—C25103.6 (6)C5—C4—C12—N1179.2 (5)
N3—Mn1—O1—C257.0 (5)C3—C4—C12—C11178.6 (5)
O1—Mn1—N1—C16.9 (4)C5—C4—C12—C110.9 (7)
O3i—Mn1—N1—C197.1 (4)N2—C11—C12—N12.0 (6)
N4—Mn1—N1—C1120.5 (5)C7—C11—C12—N1177.8 (4)
N2—Mn1—N1—C1180.0 (4)N2—C11—C12—C4179.6 (4)
N3—Mn1—N1—C193.6 (4)C7—C11—C12—C40.6 (7)
O1—Mn1—N1—C12172.1 (3)C24—N3—C13—C140.1 (8)
O3i—Mn1—N1—C1281.9 (3)Mn1—N3—C13—C14179.3 (4)
N4—Mn1—N1—C1260.5 (5)N3—C13—C14—C151.7 (9)
N2—Mn1—N1—C121.0 (3)C13—C14—C15—C162.0 (9)
N3—Mn1—N1—C1287.4 (3)C14—C15—C16—C240.9 (8)
O1—Mn1—N2—C10154.6 (5)C14—C15—C16—C17178.3 (6)
O3i—Mn1—N2—C1080.7 (4)C15—C16—C17—C18176.5 (6)
N4—Mn1—N2—C1021.0 (4)C24—C16—C17—C182.7 (9)
N1—Mn1—N2—C10177.8 (4)C16—C17—C18—C190.6 (9)
N3—Mn1—N2—C1092.7 (4)C17—C18—C19—C20177.9 (6)
O1—Mn1—N2—C1121.2 (6)C17—C18—C19—C232.1 (8)
O3i—Mn1—N2—C1195.2 (3)C23—C19—C20—C210.9 (8)
N4—Mn1—N2—C11163.2 (3)C18—C19—C20—C21179.2 (5)
N1—Mn1—N2—C112.0 (3)C19—C20—C21—C221.3 (8)
N3—Mn1—N2—C1191.4 (3)C23—N4—C22—C210.6 (7)
O1—Mn1—N3—C1377.3 (4)Mn1—N4—C22—C21179.3 (4)
O3i—Mn1—N3—C13121.7 (8)C20—C21—C22—N40.6 (8)
N4—Mn1—N3—C13176.7 (5)C22—N4—C23—C191.1 (7)
N1—Mn1—N3—C1313.5 (4)Mn1—N4—C23—C19179.9 (3)
N2—Mn1—N3—C1385.9 (4)C22—N4—C23—C24176.7 (4)
O1—Mn1—N3—C24102.1 (3)Mn1—N4—C23—C242.1 (5)
O3i—Mn1—N3—C2458.9 (9)C20—C19—C23—N40.3 (7)
N4—Mn1—N3—C242.8 (3)C18—C19—C23—N4179.6 (4)
N1—Mn1—N3—C24167.1 (3)C20—C19—C23—C24177.4 (4)
N2—Mn1—N3—C2494.7 (3)C18—C19—C23—C242.6 (7)
O1—Mn1—N4—C2278.7 (4)C13—N3—C24—C161.1 (7)
O3i—Mn1—N4—C2214.0 (4)Mn1—N3—C24—C16179.4 (3)
N1—Mn1—N4—C22155.5 (4)C13—N3—C24—C23176.8 (4)
N2—Mn1—N4—C2299.9 (4)Mn1—N3—C24—C232.7 (5)
N3—Mn1—N4—C22176.2 (4)C15—C16—C24—N30.7 (7)
O1—Mn1—N4—C23100.0 (3)C17—C16—C24—N3179.9 (5)
O3i—Mn1—N4—C23167.3 (3)C15—C16—C24—C23177.1 (4)
N1—Mn1—N4—C2325.8 (6)C17—C16—C24—C232.1 (7)
N2—Mn1—N4—C2381.4 (3)N4—C23—C24—N30.5 (6)
N3—Mn1—N4—C232.5 (3)C19—C23—C24—N3177.4 (4)
C12—N1—C1—C20.5 (8)N4—C23—C24—C16178.4 (4)
Mn1—N1—C1—C2178.5 (4)C19—C23—C24—C160.5 (6)
N1—C1—C2—C30.1 (9)Mn1—O1—C25—O210.1 (8)
C1—C2—C3—C40.4 (9)Mn1—O1—C25—C26170.6 (3)
C2—C3—C4—C120.2 (9)O2—C25—C26—C27165.2 (5)
C2—C3—C4—C5179.7 (6)O1—C25—C26—C2715.5 (7)
C3—C4—C5—C6177.8 (6)O2—C25—C26—C3115.9 (7)
C12—C4—C5—C61.6 (9)O1—C25—C26—C31163.5 (5)
C4—C5—C6—C70.8 (10)C31—C26—C27—C281.0 (7)
C5—C6—C7—C110.7 (9)C25—C26—C27—C28180.0 (4)
C5—C6—C7—C8179.8 (6)C26—C27—C28—C292.8 (7)
C11—C7—C8—C90.2 (8)C26—C27—C28—C32176.9 (4)
C6—C7—C8—C9179.3 (5)C27—C28—C29—C302.2 (7)
C7—C8—C9—C100.2 (8)C32—C28—C29—C30177.4 (5)
C11—N2—C10—C90.6 (7)C27—C28—C29—Br1171.9 (3)
Mn1—N2—C10—C9176.4 (4)C32—C28—C29—Br18.5 (6)
C8—C9—C10—N20.2 (8)C28—C29—C30—C310.1 (8)
C10—N2—C11—C70.7 (7)Br1—C29—C30—C31174.4 (4)
Mn1—N2—C11—C7176.9 (4)C29—C30—C31—C262.0 (8)
C10—N2—C11—C12179.1 (4)C27—C26—C31—C301.4 (7)
Mn1—N2—C11—C122.8 (5)C25—C26—C31—C30177.6 (5)
C8—C7—C11—N20.3 (7)Mn1i—O3—C32—O416.1 (8)
C6—C7—C11—N2178.9 (5)Mn1i—O3—C32—C28165.3 (3)
C8—C7—C11—C12179.5 (5)C27—C28—C32—O4131.1 (5)
C6—C7—C11—C121.4 (7)C29—C28—C32—O448.6 (7)
C1—N1—C12—C40.7 (7)C27—C28—C32—O347.6 (6)
Mn1—N1—C12—C4178.4 (4)C29—C28—C32—O3132.8 (5)
Symmetry code: (i) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H5A···O40.86 (7)2.01 (7)2.852 (8)165 (6)
O5—H5B···O60.84 (8)2.06 (8)2.900 (11)177 (8)
O6—H6B···O2ii0.86 (2)2.08 (7)2.707 (7)129 (7)
Symmetry code: (ii) x+1, y, z+1.
 

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