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The title complex salt, trans-anti-[CrBr2(Me2tn)2]ClO4 (where Me2tn = 2,2-di­methylpropane-1,3-diamine, C5H14N2), was prepared and its structure deter­mined by single-crystal X-ray diffraction at 100 K. The asymmetric unit contains three conformationally similar complex cations and three perchlorate anions. In each complex cation, the CrIII centre is coordinated by four N atoms of two chelating Me2tn ligands in the equatorial plane and by two Br atoms in a trans-axial arrangement, to give a distorted octahedral geometry. Interionic contacts are dominated by extensive hydrogen bonding, involving the NH groups of the Me2tn ligand as donors and the anion O atoms or coordinated Br atoms as acceptors, resulting in two-dimensional layers in the bc plane. Ligand field analysis based on the angular overlap model, and IR and electronic spectroscopic properties, are also discussed.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229615006026/eg3179sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229615006026/eg3179Isup2.hkl
Contains datablock I

CCDC reference: 1055916

Computing details top

Data collection: PAL ADSC Quantum-210 ADX (Arvai & Nielsen, 1983); cell refinement: HKL3000sm (Otwinowski & Minor, 1997); data reduction: HKL3000sm (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS2013 (Sheldrick, 2015); program(s) used to refine structure: SHELXL2014/7 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2014); software used to prepare material for publication: publCIF (Westrip, 2010) and PLATON (Spek, 2009).

Figures top
[Figure 1]
[Figure 2]
[Figure 3]
[Figure 4]
trans-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ22N,N')chromium(III) perchlorate top
Crystal data top
[CrBr2(C5H14N2)2]ClO4Dx = 1.799 Mg m3
Mr = 515.63Synchrotron radiation, λ = 0.62998 Å
Orthorhombic, PbcaCell parameters from 352345 reflections
a = 20.656 (4) Åθ = 0.4–33.6°
b = 17.666 (4) ŵ = 3.60 mm1
c = 31.305 (6) ÅT = 100 K
V = 11423 (4) Å3Plate, green
Z = 240.12 × 0.10 × 0.05 mm
F(000) = 6216
Data collection top
ADSC Q210 CCD area-detector
diffractometer
13691 reflections with I > 2σ(I)
Radiation source: PLSII 2D bending magnetRint = 0.036
ω scansθmax = 26.0°, θmin = 1.8°
Absorption correction: empirical (using intensity measurements)
(HKL3000sm SCALEPACK; Otwinowski & Minor, 1997)
h = 2828
Tmin = 0.670, Tmax = 0.841k = 2323
115348 measured reflectionsl = 4343
15666 independent reflections
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.031 w = 1/[σ2(Fo2) + (0.0577P)2 + 5.702P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.086(Δ/σ)max = 0.003
S = 1.04Δρmax = 1.25 e Å3
15666 reflectionsΔρmin = 1.42 e Å3
636 parametersExtinction correction: SHELXL2014/7 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
6 restraintsExtinction coefficient: 0.00083 (5)
Crystal data top
[CrBr2(C5H14N2)2]ClO4V = 11423 (4) Å3
Mr = 515.63Z = 24
Orthorhombic, PbcaSynchrotron radiation, λ = 0.62998 Å
a = 20.656 (4) ŵ = 3.60 mm1
b = 17.666 (4) ÅT = 100 K
c = 31.305 (6) Å0.12 × 0.10 × 0.05 mm
Data collection top
ADSC Q210 CCD area-detector
diffractometer
15666 independent reflections
Absorption correction: empirical (using intensity measurements)
(HKL3000sm SCALEPACK; Otwinowski & Minor, 1997)
13691 reflections with I > 2σ(I)
Tmin = 0.670, Tmax = 0.841Rint = 0.036
115348 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0316 restraints
wR(F2) = 0.086H-atom parameters constrained
S = 1.04Δρmax = 1.25 e Å3
15666 reflectionsΔρmin = 1.42 e Å3
636 parameters
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Cr1A0.73021 (2)0.60628 (2)0.61679 (2)0.01368 (7)
Br1A0.69990 (2)0.61566 (2)0.69298 (2)0.02048 (5)
Br2A0.76227 (2)0.60157 (2)0.54027 (2)0.02102 (5)
N1A0.76335 (9)0.71878 (10)0.61996 (5)0.0179 (3)
H1A10.73770.74680.60240.022*
H1A20.75610.73540.64700.022*
N2A0.82196 (9)0.56954 (11)0.63681 (6)0.0235 (4)
H2A10.82220.57100.66590.028*
H2A20.82570.52000.62920.028*
N3A0.63830 (8)0.64035 (9)0.59742 (5)0.0171 (3)
H3A10.63490.69070.60310.021*
H3A20.63650.63510.56850.021*
N4A0.69737 (8)0.49462 (9)0.61381 (5)0.0164 (3)
H4A10.70040.47950.58610.020*
H4A20.72570.46580.62900.020*
C1A0.83200 (11)0.73755 (13)0.60917 (7)0.0242 (4)
H1A30.83910.79200.61500.029*
H1A40.83820.72960.57810.029*
C2A0.88357 (11)0.69270 (13)0.63286 (7)0.0226 (4)
C3A0.88151 (11)0.60849 (14)0.62206 (8)0.0259 (5)
H3A30.88510.60250.59070.031*
H3A40.91950.58350.63520.031*
C4A0.88047 (14)0.70619 (16)0.68088 (8)0.0351 (6)
H4A30.83830.68980.69170.053*
H4A40.88630.76020.68680.053*
H4A50.91480.67730.69500.053*
C5A0.94937 (13)0.72192 (17)0.61612 (9)0.0384 (6)
H5A10.95270.77650.62140.058*
H5A20.95260.71210.58540.058*
H5A30.98460.69570.63100.058*
C6A0.57964 (10)0.60288 (11)0.61545 (7)0.0184 (4)
H6A10.54070.62740.60330.022*
H6A20.57890.61120.64670.022*
C7A0.57586 (10)0.51758 (11)0.60673 (6)0.0163 (3)
C8A0.63097 (10)0.47504 (11)0.62882 (6)0.0172 (4)
H8A10.62840.48510.65990.021*
H8A20.62420.42010.62460.021*
C9A0.51254 (10)0.48940 (13)0.62657 (7)0.0225 (4)
H9A10.51160.50260.65700.034*
H9A20.50970.43430.62340.034*
H9A30.47580.51330.61200.034*
C10A0.57512 (11)0.50025 (12)0.55865 (6)0.0215 (4)
H10A0.53880.52680.54520.032*
H10B0.57030.44560.55430.032*
H10C0.61580.51730.54580.032*
Cr2B0.74038 (2)0.35435 (2)0.45410 (2)0.01221 (6)
Br1B0.71078 (2)0.36587 (2)0.53011 (2)0.01848 (5)
Br2B0.77134 (2)0.34418 (2)0.37785 (2)0.01968 (5)
N1B0.77384 (8)0.46610 (10)0.45463 (5)0.0171 (3)
H1B10.74750.49350.43720.021*
H1B20.76830.48440.48160.021*
N2B0.83098 (8)0.31690 (10)0.47411 (6)0.0183 (3)
H2B10.83180.32030.50310.022*
H2B20.83370.26680.46750.022*
N3B0.64815 (8)0.39030 (10)0.43512 (6)0.0177 (3)
H3B10.64480.44040.44160.021*
H3B20.64620.38630.40620.021*
N4B0.70788 (8)0.24197 (9)0.45332 (5)0.0161 (3)
H4B10.71230.22460.42610.019*
H4B20.73540.21450.46990.019*
C1B0.84187 (10)0.48221 (12)0.44183 (6)0.0200 (4)
H1B30.85000.53710.44550.024*
H1B40.84670.47050.41110.024*
C2B0.89352 (10)0.43872 (12)0.46642 (6)0.0190 (4)
C3B0.89071 (10)0.35377 (13)0.45785 (7)0.0215 (4)
H3B30.89370.34520.42670.026*
H3B40.92870.32940.47130.026*
C4B0.88902 (10)0.45569 (13)0.51443 (6)0.0222 (4)
H4B30.89430.51020.51920.033*
H4B40.92330.42820.52960.033*
H4B50.84670.43950.52520.033*
C5B0.95930 (11)0.46563 (15)0.44929 (7)0.0294 (5)
H5B10.96200.45490.41860.044*
H5B20.99410.43890.46430.044*
H5B30.96370.52020.45410.044*
C6B0.58999 (10)0.35189 (12)0.45285 (7)0.0193 (4)
H6B10.55090.37590.44060.023*
H6B20.58890.36010.48410.023*
C7B0.58704 (10)0.26653 (12)0.44415 (7)0.0193 (4)
C8B0.64089 (10)0.22375 (12)0.46736 (7)0.0188 (4)
H8B10.63740.23460.49830.023*
H8B20.63370.16880.46340.023*
C9B0.52314 (11)0.23787 (15)0.46299 (8)0.0308 (5)
H9B10.51960.18320.45830.046*
H9B20.48690.26360.44900.046*
H9B30.52210.24850.49370.046*
C10B0.58856 (11)0.25022 (14)0.39600 (7)0.0270 (5)
H10D0.63030.26630.38420.040*
H10E0.55360.27810.38190.040*
H10F0.58280.19580.39120.040*
Cr3C0.77123 (2)0.60947 (2)0.28850 (2)0.01335 (7)
Br1C0.77231 (2)0.60241 (2)0.36740 (2)0.02133 (5)
Br2C0.77070 (2)0.61867 (2)0.20966 (2)0.02258 (5)
N1C0.80290 (9)0.49676 (10)0.28534 (5)0.0184 (3)
H1C10.77140.46780.29740.022*
H1C20.80450.48400.25720.022*
N2C0.86765 (9)0.64642 (10)0.28850 (6)0.0218 (4)
H2C10.87930.65350.26080.026*
H2C20.86830.69280.30120.026*
N3C0.73779 (9)0.72025 (10)0.29261 (5)0.0191 (3)
H3C10.73400.73150.32090.023*
H3C20.76950.75070.28200.023*
N4C0.67622 (9)0.57112 (11)0.28831 (6)0.0224 (4)
H4C10.67640.52450.27590.027*
H4C20.66450.56430.31610.027*
C1C0.86550 (11)0.47276 (12)0.30467 (7)0.0216 (4)
H1C30.87360.41930.29680.026*
H1C40.86120.47490.33610.026*
C2C0.92458 (10)0.51994 (13)0.29155 (6)0.0204 (4)
C3C0.91985 (11)0.60027 (13)0.30895 (7)0.0250 (4)
H3C30.91170.59790.34010.030*
H3C40.96190.62600.30460.030*
C4C0.98386 (12)0.48336 (17)0.31252 (8)0.0332 (6)
H4C31.02280.51210.30500.050*
H4C40.98830.43110.30240.050*
H4C50.97840.48340.34360.050*
C5C0.93349 (11)0.51937 (14)0.24310 (6)0.0250 (4)
H5C10.89470.54020.22940.037*
H5C20.94030.46730.23330.037*
H5C30.97120.55030.23550.037*
C6C0.67599 (11)0.74305 (13)0.27164 (7)0.0249 (4)
H6C10.68170.73960.24030.030*
H6C20.66720.79670.27870.030*
C7C0.61710 (11)0.69604 (14)0.28422 (7)0.0250 (4)
C8C0.62341 (11)0.61555 (14)0.26747 (8)0.0271 (5)
H8C10.58180.58890.27190.033*
H8C20.63160.61750.23630.033*
C9C0.60537 (12)0.69717 (16)0.33251 (7)0.0312 (5)
H9C10.56580.66900.33910.047*
H9C20.60070.74960.34220.047*
H9C30.64220.67360.34710.047*
C10C0.55839 (14)0.73118 (18)0.26123 (9)0.0421 (7)
H10G0.56460.72770.23030.063*
H10H0.55420.78440.26950.063*
H10I0.51900.70370.26930.063*
Cl1P0.87873 (3)0.35173 (3)0.61703 (2)0.02205 (10)
O1P0.86864 (9)0.30699 (9)0.57889 (6)0.0307 (4)
O2P0.93932 (11)0.39045 (13)0.61403 (8)0.0492 (6)
O3P0.87621 (13)0.30179 (12)0.65299 (6)0.0492 (6)
O4P0.82714 (11)0.40598 (11)0.61975 (6)0.0399 (5)
Cl2Q0.60607 (3)0.62761 (3)0.45976 (2)0.02007 (10)
O1Q0.66222 (11)0.66244 (12)0.44072 (7)0.0461 (5)
O2Q0.61357 (15)0.54746 (11)0.45927 (7)0.0583 (7)
O3Q0.60013 (10)0.65500 (9)0.50285 (5)0.0306 (4)
O4Q0.55041 (12)0.64969 (15)0.43565 (7)0.0550 (6)
Cl3R0.61738 (3)0.38323 (3)0.29233 (2)0.02591 (11)
O1R0.62185 (12)0.41908 (12)0.33324 (7)0.0462 (5)
O2R0.6456 (3)0.30919 (16)0.28913 (16)0.0462 (13)0.529 (6)
O3R0.6370 (3)0.4267 (2)0.25554 (9)0.070 (2)0.529 (6)
O4R0.54967 (9)0.3750 (4)0.2822 (2)0.077 (2)0.529 (6)
O5R0.68302 (11)0.3923 (3)0.27750 (15)0.0452 (15)0.471 (6)
O6R0.5724 (3)0.4243 (3)0.26626 (14)0.0512 (16)0.471 (6)
O7R0.6056 (4)0.30346 (10)0.29699 (17)0.0485 (15)0.471 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cr1A0.01807 (15)0.01021 (15)0.01276 (14)0.00180 (10)0.00074 (10)0.00106 (10)
Br1A0.03104 (11)0.01724 (10)0.01315 (9)0.00004 (7)0.00137 (7)0.00075 (6)
Br2A0.02793 (11)0.01914 (11)0.01598 (9)0.00214 (7)0.00514 (7)0.00147 (7)
N1A0.0239 (9)0.0124 (8)0.0174 (8)0.0012 (6)0.0012 (6)0.0012 (6)
N2A0.0214 (8)0.0176 (9)0.0314 (10)0.0045 (7)0.0016 (7)0.0055 (7)
N3A0.0204 (8)0.0119 (8)0.0191 (8)0.0015 (6)0.0025 (6)0.0017 (6)
N4A0.0213 (8)0.0120 (8)0.0159 (7)0.0021 (6)0.0021 (6)0.0006 (6)
C1A0.0253 (10)0.0239 (11)0.0233 (10)0.0053 (8)0.0045 (8)0.0029 (8)
C2A0.0220 (10)0.0242 (11)0.0216 (10)0.0016 (8)0.0062 (8)0.0001 (8)
C3A0.0220 (10)0.0265 (12)0.0290 (11)0.0023 (8)0.0011 (8)0.0006 (8)
C4A0.0422 (14)0.0379 (14)0.0252 (11)0.0054 (11)0.0116 (10)0.0048 (10)
C5A0.0264 (12)0.0403 (16)0.0485 (16)0.0084 (11)0.0025 (11)0.0032 (12)
C6A0.0186 (9)0.0169 (10)0.0198 (9)0.0033 (7)0.0004 (7)0.0008 (7)
C7A0.0196 (9)0.0163 (9)0.0130 (8)0.0000 (7)0.0003 (7)0.0004 (6)
C8A0.0214 (9)0.0147 (9)0.0156 (8)0.0003 (7)0.0004 (7)0.0019 (6)
C9A0.0207 (9)0.0262 (11)0.0207 (9)0.0031 (8)0.0029 (7)0.0008 (8)
C10A0.0273 (10)0.0228 (11)0.0142 (8)0.0004 (8)0.0014 (7)0.0007 (7)
Cr2B0.01444 (14)0.01041 (15)0.01179 (13)0.00034 (10)0.00175 (10)0.00169 (10)
Br1B0.02322 (10)0.01904 (10)0.01319 (9)0.00211 (7)0.00067 (7)0.00349 (6)
Br2B0.02469 (10)0.02097 (11)0.01337 (9)0.00362 (7)0.00062 (7)0.00448 (7)
N1B0.0213 (8)0.0130 (8)0.0170 (8)0.0017 (6)0.0038 (6)0.0008 (6)
N2B0.0161 (7)0.0147 (8)0.0240 (8)0.0005 (6)0.0033 (6)0.0008 (6)
N3B0.0186 (8)0.0153 (8)0.0192 (8)0.0030 (6)0.0049 (6)0.0026 (6)
N4B0.0164 (7)0.0116 (8)0.0201 (8)0.0002 (6)0.0006 (6)0.0018 (6)
C1B0.0243 (10)0.0209 (10)0.0149 (8)0.0074 (8)0.0031 (7)0.0025 (7)
C2B0.0178 (9)0.0235 (10)0.0157 (8)0.0058 (7)0.0007 (7)0.0006 (7)
C3B0.0152 (9)0.0267 (11)0.0227 (10)0.0008 (8)0.0001 (7)0.0016 (8)
C4B0.0228 (10)0.0281 (11)0.0158 (9)0.0048 (8)0.0041 (7)0.0012 (8)
C5B0.0234 (11)0.0407 (14)0.0242 (10)0.0126 (9)0.0014 (8)0.0002 (9)
C6B0.0159 (9)0.0197 (10)0.0224 (9)0.0024 (7)0.0018 (7)0.0065 (7)
C7B0.0166 (9)0.0178 (10)0.0236 (10)0.0001 (7)0.0025 (7)0.0059 (7)
C8B0.0183 (9)0.0147 (9)0.0234 (9)0.0029 (7)0.0006 (7)0.0017 (7)
C9B0.0187 (10)0.0311 (13)0.0426 (14)0.0048 (9)0.0015 (9)0.0068 (10)
C10B0.0283 (11)0.0275 (12)0.0251 (10)0.0020 (9)0.0065 (9)0.0113 (8)
Cr3C0.01761 (15)0.01122 (15)0.01120 (13)0.00002 (10)0.00117 (10)0.00110 (10)
Br1C0.03008 (11)0.02170 (11)0.01220 (9)0.00659 (8)0.00108 (7)0.00062 (7)
Br2C0.03001 (11)0.02544 (12)0.01229 (9)0.00771 (8)0.00140 (7)0.00137 (7)
N1C0.0233 (8)0.0135 (8)0.0185 (8)0.0012 (6)0.0008 (6)0.0030 (6)
N2C0.0225 (9)0.0168 (9)0.0260 (9)0.0030 (7)0.0011 (7)0.0053 (7)
N3C0.0273 (9)0.0125 (8)0.0174 (8)0.0016 (6)0.0053 (6)0.0003 (6)
N4C0.0208 (8)0.0187 (9)0.0277 (9)0.0024 (7)0.0004 (7)0.0027 (7)
C1C0.0276 (10)0.0195 (10)0.0178 (9)0.0055 (8)0.0006 (8)0.0009 (7)
C2C0.0202 (9)0.0267 (11)0.0143 (8)0.0058 (8)0.0004 (7)0.0045 (7)
C3C0.0219 (10)0.0292 (12)0.0239 (10)0.0001 (8)0.0035 (8)0.0102 (8)
C4C0.0280 (12)0.0474 (15)0.0244 (11)0.0142 (11)0.0063 (9)0.0070 (10)
C5C0.0244 (10)0.0344 (12)0.0161 (9)0.0025 (9)0.0013 (8)0.0060 (8)
C6C0.0346 (12)0.0206 (11)0.0195 (9)0.0114 (9)0.0048 (8)0.0051 (8)
C7C0.0237 (10)0.0305 (12)0.0208 (10)0.0097 (9)0.0013 (8)0.0003 (8)
C8C0.0211 (10)0.0319 (13)0.0284 (11)0.0026 (8)0.0030 (8)0.0011 (9)
C9C0.0268 (11)0.0423 (15)0.0244 (11)0.0041 (10)0.0082 (9)0.0001 (10)
C10C0.0372 (14)0.0519 (18)0.0374 (14)0.0235 (13)0.0056 (11)0.0024 (12)
Cl1P0.0285 (2)0.0157 (2)0.0219 (2)0.00190 (18)0.00275 (18)0.00091 (17)
O1P0.0421 (10)0.0175 (8)0.0323 (9)0.0008 (7)0.0004 (7)0.0055 (6)
O2P0.0382 (11)0.0560 (14)0.0535 (13)0.0205 (10)0.0062 (10)0.0071 (10)
O3P0.0796 (17)0.0371 (12)0.0308 (10)0.0115 (11)0.0024 (10)0.0155 (8)
O4P0.0510 (12)0.0265 (10)0.0421 (11)0.0188 (9)0.0103 (9)0.0024 (8)
Cl2Q0.0308 (3)0.0143 (2)0.0151 (2)0.00351 (18)0.00013 (17)0.00130 (15)
O1Q0.0485 (12)0.0486 (13)0.0411 (11)0.0201 (10)0.0232 (9)0.0174 (9)
O2Q0.127 (2)0.0115 (9)0.0362 (11)0.0078 (11)0.0110 (13)0.0033 (7)
O3Q0.0501 (11)0.0256 (9)0.0161 (7)0.0085 (7)0.0024 (7)0.0026 (6)
O4Q0.0487 (13)0.0718 (17)0.0446 (12)0.0006 (11)0.0225 (10)0.0051 (11)
Cl3R0.0322 (3)0.0144 (2)0.0311 (3)0.00260 (19)0.0053 (2)0.00028 (18)
O1R0.0581 (14)0.0355 (12)0.0450 (12)0.0125 (10)0.0116 (10)0.0162 (9)
O2R0.061 (3)0.022 (2)0.056 (3)0.021 (2)0.010 (2)0.0047 (17)
O3R0.147 (7)0.021 (2)0.042 (2)0.021 (3)0.017 (3)0.0061 (17)
O4R0.049 (3)0.085 (5)0.098 (5)0.038 (3)0.032 (3)0.035 (4)
O5R0.034 (2)0.064 (3)0.038 (3)0.012 (2)0.0173 (19)0.021 (2)
O6R0.075 (4)0.038 (3)0.041 (3)0.024 (3)0.019 (3)0.003 (2)
O7R0.086 (5)0.013 (2)0.047 (3)0.001 (2)0.006 (3)0.0009 (16)
Geometric parameters (Å, º) top
Cr1A—N3A2.0819 (17)C5B—H5B30.9800
Cr1A—N4A2.0881 (17)C6B—C7B1.534 (3)
Cr1A—N2A2.0990 (19)C6B—H6B10.9900
Cr1A—N1A2.1044 (18)C6B—H6B20.9900
Cr1A—Br1A2.4714 (6)C7B—C8B1.529 (3)
Cr1A—Br2A2.4867 (6)C7B—C9B1.532 (3)
N1A—C1A1.495 (3)C7B—C10B1.535 (3)
N1A—H1A10.9100C8B—H8B10.9900
N1A—H1A20.9100C8B—H8B20.9900
N2A—C3A1.483 (3)C9B—H9B10.9800
N2A—H2A10.9100C9B—H9B20.9800
N2A—H2A20.9100C9B—H9B30.9800
N3A—C6A1.492 (3)C10B—H10D0.9800
N3A—H3A10.9100C10B—H10E0.9800
N3A—H3A20.9100C10B—H10F0.9800
N4A—C8A1.490 (3)Cr3C—N4C2.0761 (19)
N4A—H4A10.9100Cr3C—N3C2.0794 (18)
N4A—H4A20.9100Cr3C—N2C2.0958 (19)
C1A—C2A1.521 (3)Cr3C—N1C2.0982 (18)
C1A—H1A30.9900Cr3C—Br1C2.4732 (6)
C1A—H1A40.9900Cr3C—Br2C2.4735 (6)
C2A—C4A1.523 (3)N1C—C1C1.489 (3)
C2A—C3A1.526 (3)N1C—H1C10.9100
C2A—C5A1.546 (3)N1C—H1C20.9100
C3A—H3A30.9900N2C—C3C1.496 (3)
C3A—H3A40.9900N2C—H2C10.9100
C4A—H4A30.9800N2C—H2C20.9100
C4A—H4A40.9800N3C—C6C1.491 (3)
C4A—H4A50.9800N3C—H3C10.9100
C5A—H5A10.9800N3C—H3C20.9100
C5A—H5A20.9800N4C—C8C1.494 (3)
C5A—H5A30.9800N4C—H4C10.9100
C6A—C7A1.533 (3)N4C—H4C20.9100
C6A—H6A10.9900C1C—C2C1.534 (3)
C6A—H6A20.9900C1C—H1C30.9900
C7A—C8A1.529 (3)C1C—H1C40.9900
C7A—C9A1.531 (3)C2C—C3C1.523 (3)
C7A—C10A1.536 (3)C2C—C5C1.528 (3)
C8A—H8A10.9900C2C—C4C1.532 (3)
C8A—H8A20.9900C3C—H3C30.9900
C9A—H9A10.9800C3C—H3C40.9900
C9A—H9A20.9800C4C—H4C30.9800
C9A—H9A30.9800C4C—H4C40.9800
C10A—H10A0.9800C4C—H4C50.9800
C10A—H10B0.9800C5C—H5C10.9800
C10A—H10C0.9800C5C—H5C20.9800
Cr2B—N2B2.0816 (17)C5C—H5C30.9800
Cr2B—N1B2.0917 (18)C6C—C7C1.525 (3)
Cr2B—N3B2.0941 (17)C6C—H6C10.9900
Cr2B—N4B2.0959 (17)C6C—H6C20.9900
Cr2B—Br1B2.4653 (6)C7C—C8C1.521 (3)
Cr2B—Br2B2.4778 (6)C7C—C9C1.531 (3)
N1B—C1B1.489 (3)C7C—C10C1.541 (3)
N1B—H1B10.9100C8C—H8C10.9900
N1B—H1B20.9100C8C—H8C20.9900
N2B—C3B1.485 (3)C9C—H9C10.9800
N2B—H2B10.9100C9C—H9C20.9800
N2B—H2B20.9100C9C—H9C30.9800
N3B—C6B1.487 (3)C10C—H10G0.9800
N3B—H3B10.9100C10C—H10H0.9800
N3B—H3B20.9100C10C—H10I0.9800
N4B—C8B1.487 (3)Cl1P—O2P1.429 (2)
N4B—H4B10.9100Cl1P—O3P1.4311 (19)
N4B—H4B20.9100Cl1P—O4P1.4357 (19)
C1B—C2B1.524 (3)Cl1P—O1P1.4469 (17)
C1B—H1B30.9900Cl2Q—O2Q1.4245 (19)
C1B—H1B40.9900Cl2Q—O4Q1.430 (2)
C2B—C3B1.526 (3)Cl2Q—O3Q1.4384 (16)
C2B—C4B1.535 (3)Cl2Q—O1Q1.442 (2)
C2B—C5B1.536 (3)Cl3R—O1R1.432 (2)
C3B—H3B30.9900Cl3R—O6R1.4335 (10)
C3B—H3B40.9900Cl3R—O2R1.4357 (10)
C4B—H4B30.9800Cl3R—O7R1.4377 (10)
C4B—H4B40.9800Cl3R—O4R1.4414 (10)
C4B—H4B50.9800Cl3R—O3R1.4422 (10)
C5B—H5B10.9800Cl3R—O5R1.4423 (10)
C5B—H5B20.9800
N3A—Cr1A—N4A87.93 (7)H4B4—C4B—H4B5109.5
N3A—Cr1A—N2A178.67 (7)C2B—C5B—H5B1109.5
N4A—Cr1A—N2A90.83 (7)C2B—C5B—H5B2109.5
N3A—Cr1A—N1A92.14 (7)H5B1—C5B—H5B2109.5
N4A—Cr1A—N1A179.85 (7)C2B—C5B—H5B3109.5
N2A—Cr1A—N1A89.10 (7)H5B1—C5B—H5B3109.5
N3A—Cr1A—Br1A91.75 (5)H5B2—C5B—H5B3109.5
N4A—Cr1A—Br1A91.38 (5)N3B—C6B—C7B114.48 (16)
N2A—Cr1A—Br1A87.78 (6)N3B—C6B—H6B1108.6
N1A—Cr1A—Br1A88.48 (5)C7B—C6B—H6B1108.6
N3A—Cr1A—Br2A88.39 (5)N3B—C6B—H6B2108.6
N4A—Cr1A—Br2A90.68 (5)C7B—C6B—H6B2108.6
N2A—Cr1A—Br2A92.12 (6)H6B1—C6B—H6B2107.6
N1A—Cr1A—Br2A89.46 (5)C8B—C7B—C9B106.30 (18)
Br1A—Cr1A—Br2A177.938 (16)C8B—C7B—C6B111.88 (16)
C1A—N1A—Cr1A120.49 (14)C9B—C7B—C6B106.91 (17)
C1A—N1A—H1A1107.2C8B—C7B—C10B111.05 (17)
Cr1A—N1A—H1A1107.2C9B—C7B—C10B109.49 (18)
C1A—N1A—H1A2107.2C6B—C7B—C10B110.99 (18)
Cr1A—N1A—H1A2107.2N4B—C8B—C7B115.44 (17)
H1A1—N1A—H1A2106.8N4B—C8B—H8B1108.4
C3A—N2A—Cr1A120.82 (14)C7B—C8B—H8B1108.4
C3A—N2A—H2A1107.1N4B—C8B—H8B2108.4
Cr1A—N2A—H2A1107.1C7B—C8B—H8B2108.4
C3A—N2A—H2A2107.1H8B1—C8B—H8B2107.5
Cr1A—N2A—H2A2107.1C7B—C9B—H9B1109.5
H2A1—N2A—H2A2106.8C7B—C9B—H9B2109.5
C6A—N3A—Cr1A120.15 (12)H9B1—C9B—H9B2109.5
C6A—N3A—H3A1107.3C7B—C9B—H9B3109.5
Cr1A—N3A—H3A1107.3H9B1—C9B—H9B3109.5
C6A—N3A—H3A2107.3H9B2—C9B—H9B3109.5
Cr1A—N3A—H3A2107.3C7B—C10B—H10D109.5
H3A1—N3A—H3A2106.9C7B—C10B—H10E109.5
C8A—N4A—Cr1A120.28 (12)H10D—C10B—H10E109.5
C8A—N4A—H4A1107.3C7B—C10B—H10F109.5
Cr1A—N4A—H4A1107.3H10D—C10B—H10F109.5
C8A—N4A—H4A2107.3H10E—C10B—H10F109.5
Cr1A—N4A—H4A2107.3N4C—Cr3C—N3C89.62 (8)
H4A1—N4A—H4A2106.9N4C—Cr3C—N2C179.09 (8)
N1A—C1A—C2A116.01 (18)N3C—Cr3C—N2C91.29 (7)
N1A—C1A—H1A3108.3N4C—Cr3C—N1C89.14 (7)
C2A—C1A—H1A3108.3N3C—Cr3C—N1C178.49 (7)
N1A—C1A—H1A4108.3N2C—Cr3C—N1C89.96 (7)
C2A—C1A—H1A4108.3N4C—Cr3C—Br1C89.71 (5)
H1A3—C1A—H1A4107.4N3C—Cr3C—Br1C89.35 (5)
C1A—C2A—C4A111.7 (2)N2C—Cr3C—Br1C90.41 (5)
C1A—C2A—C3A112.35 (18)N1C—Cr3C—Br1C89.80 (5)
C4A—C2A—C3A111.7 (2)N4C—Cr3C—Br2C90.83 (5)
C1A—C2A—C5A106.05 (19)N3C—Cr3C—Br2C89.91 (5)
C4A—C2A—C5A108.6 (2)N2C—Cr3C—Br2C89.07 (5)
C3A—C2A—C5A106.0 (2)N1C—Cr3C—Br2C90.95 (5)
N2A—C3A—C2A113.97 (19)Br1C—Cr3C—Br2C179.081 (17)
N2A—C3A—H3A3108.8C1C—N1C—Cr3C121.44 (13)
C2A—C3A—H3A3108.8C1C—N1C—H1C1107.0
N2A—C3A—H3A4108.8Cr3C—N1C—H1C1107.0
C2A—C3A—H3A4108.8C1C—N1C—H1C2107.0
H3A3—C3A—H3A4107.7Cr3C—N1C—H1C2107.0
C2A—C4A—H4A3109.5H1C1—N1C—H1C2106.7
C2A—C4A—H4A4109.5C3C—N2C—Cr3C121.02 (14)
H4A3—C4A—H4A4109.5C3C—N2C—H2C1107.1
C2A—C4A—H4A5109.5Cr3C—N2C—H2C1107.1
H4A3—C4A—H4A5109.5C3C—N2C—H2C2107.1
H4A4—C4A—H4A5109.5Cr3C—N2C—H2C2107.1
C2A—C5A—H5A1109.5H2C1—N2C—H2C2106.8
C2A—C5A—H5A2109.5C6C—N3C—Cr3C120.76 (14)
H5A1—C5A—H5A2109.5C6C—N3C—H3C1107.1
C2A—C5A—H5A3109.5Cr3C—N3C—H3C1107.1
H5A1—C5A—H5A3109.5C6C—N3C—H3C2107.1
H5A2—C5A—H5A3109.5Cr3C—N3C—H3C2107.1
N3A—C6A—C7A114.22 (16)H3C1—N3C—H3C2106.8
N3A—C6A—H6A1108.7C8C—N4C—Cr3C121.34 (14)
C7A—C6A—H6A1108.7C8C—N4C—H4C1107.0
N3A—C6A—H6A2108.7Cr3C—N4C—H4C1107.0
C7A—C6A—H6A2108.7C8C—N4C—H4C2107.0
H6A1—C6A—H6A2107.6Cr3C—N4C—H4C2107.0
C8A—C7A—C9A107.02 (16)H4C1—N4C—H4C2106.7
C8A—C7A—C6A111.38 (16)N1C—C1C—C2C115.29 (17)
C9A—C7A—C6A106.91 (17)N1C—C1C—H1C3108.5
C8A—C7A—C10A110.64 (17)C2C—C1C—H1C3108.5
C9A—C7A—C10A108.91 (17)N1C—C1C—H1C4108.5
C6A—C7A—C10A111.76 (16)C2C—C1C—H1C4108.5
N4A—C8A—C7A115.36 (16)H1C3—C1C—H1C4107.5
N4A—C8A—H8A1108.4C3C—C2C—C5C111.64 (19)
C7A—C8A—H8A1108.4C3C—C2C—C4C106.91 (19)
N4A—C8A—H8A2108.4C5C—C2C—C4C109.04 (18)
C7A—C8A—H8A2108.4C3C—C2C—C1C111.07 (17)
H8A1—C8A—H8A2107.5C5C—C2C—C1C110.99 (18)
C7A—C9A—H9A1109.5C4C—C2C—C1C106.97 (19)
C7A—C9A—H9A2109.5N2C—C3C—C2C113.63 (17)
H9A1—C9A—H9A2109.5N2C—C3C—H3C3108.8
C7A—C9A—H9A3109.5C2C—C3C—H3C3108.8
H9A1—C9A—H9A3109.5N2C—C3C—H3C4108.8
H9A2—C9A—H9A3109.5C2C—C3C—H3C4108.8
C7A—C10A—H10A109.5H3C3—C3C—H3C4107.7
C7A—C10A—H10B109.5C2C—C4C—H4C3109.5
H10A—C10A—H10B109.5C2C—C4C—H4C4109.5
C7A—C10A—H10C109.5H4C3—C4C—H4C4109.5
H10A—C10A—H10C109.5C2C—C4C—H4C5109.5
H10B—C10A—H10C109.5H4C3—C4C—H4C5109.5
N2B—Cr2B—N1B90.03 (7)H4C4—C4C—H4C5109.5
N2B—Cr2B—N3B178.57 (7)C2C—C5C—H5C1109.5
N1B—Cr2B—N3B90.96 (7)C2C—C5C—H5C2109.5
N2B—Cr2B—N4B89.45 (7)H5C1—C5C—H5C2109.5
N1B—Cr2B—N4B179.35 (7)C2C—C5C—H5C3109.5
N3B—Cr2B—N4B89.57 (7)H5C1—C5C—H5C3109.5
N2B—Cr2B—Br1B87.63 (5)H5C2—C5C—H5C3109.5
N1B—Cr2B—Br1B89.80 (5)N3C—C6C—C7C114.98 (17)
N3B—Cr2B—Br1B91.33 (5)N3C—C6C—H6C1108.5
N4B—Cr2B—Br1B90.57 (5)C7C—C6C—H6C1108.5
N2B—Cr2B—Br2B92.00 (5)N3C—C6C—H6C2108.5
N1B—Cr2B—Br2B89.47 (5)C7C—C6C—H6C2108.5
N3B—Cr2B—Br2B89.05 (5)H6C1—C6C—H6C2107.5
N4B—Cr2B—Br2B90.15 (5)C8C—C7C—C6C110.60 (18)
Br1B—Cr2B—Br2B179.177 (16)C8C—C7C—C9C111.5 (2)
C1B—N1B—Cr2B119.36 (13)C6C—C7C—C9C112.0 (2)
C1B—N1B—H1B1107.5C8C—C7C—C10C106.4 (2)
Cr2B—N1B—H1B1107.5C6C—C7C—C10C106.7 (2)
C1B—N1B—H1B2107.5C9C—C7C—C10C109.35 (19)
Cr2B—N1B—H1B2107.5N4C—C8C—C7C113.78 (19)
H1B1—N1B—H1B2107.0N4C—C8C—H8C1108.8
C3B—N2B—Cr2B120.29 (13)C7C—C8C—H8C1108.8
C3B—N2B—H2B1107.3N4C—C8C—H8C2108.8
Cr2B—N2B—H2B1107.3C7C—C8C—H8C2108.8
C3B—N2B—H2B2107.3H8C1—C8C—H8C2107.7
Cr2B—N2B—H2B2107.3C7C—C9C—H9C1109.5
H2B1—N2B—H2B2106.9C7C—C9C—H9C2109.5
C6B—N3B—Cr2B119.38 (13)H9C1—C9C—H9C2109.5
C6B—N3B—H3B1107.5C7C—C9C—H9C3109.5
Cr2B—N3B—H3B1107.5H9C1—C9C—H9C3109.5
C6B—N3B—H3B2107.5H9C2—C9C—H9C3109.5
Cr2B—N3B—H3B2107.5C7C—C10C—H10G109.5
H3B1—N3B—H3B2107.0C7C—C10C—H10H109.5
C8B—N4B—Cr2B119.97 (12)H10G—C10C—H10H109.5
C8B—N4B—H4B1107.3C7C—C10C—H10I109.5
Cr2B—N4B—H4B1107.3H10G—C10C—H10I109.5
C8B—N4B—H4B2107.3H10H—C10C—H10I109.5
Cr2B—N4B—H4B2107.3O2P—Cl1P—O3P112.24 (15)
H4B1—N4B—H4B2106.9O2P—Cl1P—O4P109.53 (14)
N1B—C1B—C2B115.38 (16)O3P—Cl1P—O4P109.75 (13)
N1B—C1B—H1B3108.4O2P—Cl1P—O1P109.47 (13)
C2B—C1B—H1B3108.4O3P—Cl1P—O1P107.89 (12)
N1B—C1B—H1B4108.4O4P—Cl1P—O1P107.86 (12)
C2B—C1B—H1B4108.4O2Q—Cl2Q—O4Q110.67 (16)
H1B3—C1B—H1B4107.5O2Q—Cl2Q—O3Q110.72 (11)
C1B—C2B—C3B112.37 (17)O4Q—Cl2Q—O3Q109.55 (13)
C1B—C2B—C4B110.72 (18)O2Q—Cl2Q—O1Q109.41 (15)
C3B—C2B—C4B111.23 (17)O4Q—Cl2Q—O1Q108.20 (15)
C1B—C2B—C5B106.67 (18)O3Q—Cl2Q—O1Q108.23 (12)
C3B—C2B—C5B106.06 (18)O1R—Cl3R—O6R109.1 (2)
C4B—C2B—C5B109.56 (17)O1R—Cl3R—O2R116.0 (2)
N2B—C3B—C2B113.74 (17)O1R—Cl3R—O7R110.7 (2)
N2B—C3B—H3B3108.8O6R—Cl3R—O7R116.4 (4)
C2B—C3B—H3B3108.8O1R—Cl3R—O4R107.7 (2)
N2B—C3B—H3B4108.8O2R—Cl3R—O4R106.7 (3)
C2B—C3B—H3B4108.8O1R—Cl3R—O3R117.4 (2)
H3B3—C3B—H3B4107.7O2R—Cl3R—O3R108.3 (3)
C2B—C4B—H4B3109.5O4R—Cl3R—O3R98.7 (4)
C2B—C4B—H4B4109.5O1R—Cl3R—O5R100.2 (2)
H4B3—C4B—H4B4109.5O6R—Cl3R—O5R111.7 (3)
C2B—C4B—H4B5109.5O7R—Cl3R—O5R107.5 (4)
H4B3—C4B—H4B5109.5
Cr1A—N1A—C1A—C2A53.2 (2)Cr2B—N3B—C6B—C7B58.5 (2)
N1A—C1A—C2A—C4A62.1 (3)N3B—C6B—C7B—C8B66.3 (2)
N1A—C1A—C2A—C3A64.4 (3)N3B—C6B—C7B—C9B177.70 (17)
N1A—C1A—C2A—C5A179.7 (2)N3B—C6B—C7B—C10B58.3 (2)
Cr1A—N2A—C3A—C2A57.8 (2)Cr2B—N4B—C8B—C7B55.4 (2)
C1A—C2A—C3A—N2A66.1 (2)C9B—C7B—C8B—N4B178.89 (17)
C4A—C2A—C3A—N2A60.4 (3)C6B—C7B—C8B—N4B64.8 (2)
C5A—C2A—C3A—N2A178.48 (19)C10B—C7B—C8B—N4B59.9 (2)
Cr1A—N3A—C6A—C7A60.2 (2)Cr3C—N1C—C1C—C2C51.7 (2)
N3A—C6A—C7A—C8A64.5 (2)N1C—C1C—C2C—C3C67.0 (2)
N3A—C6A—C7A—C9A178.87 (16)N1C—C1C—C2C—C5C57.8 (2)
N3A—C6A—C7A—C10A59.8 (2)N1C—C1C—C2C—C4C176.64 (17)
Cr1A—N4A—C8A—C7A57.6 (2)Cr3C—N2C—C3C—C2C56.3 (2)
C9A—C7A—C8A—N4A179.95 (16)C5C—C2C—C3C—N2C55.5 (2)
C6A—C7A—C8A—N4A63.5 (2)C4C—C2C—C3C—N2C174.68 (19)
C10A—C7A—C8A—N4A61.4 (2)C1C—C2C—C3C—N2C69.0 (2)
Cr2B—N1B—C1B—C2B55.1 (2)Cr3C—N3C—C6C—C7C54.9 (2)
N1B—C1B—C2B—C3B66.0 (2)N3C—C6C—C7C—C8C67.6 (2)
N1B—C1B—C2B—C4B59.0 (2)N3C—C6C—C7C—C9C57.3 (2)
N1B—C1B—C2B—C5B178.17 (18)N3C—C6C—C7C—C10C176.96 (19)
Cr2B—N2B—C3B—C2B57.2 (2)Cr3C—N4C—C8C—C7C56.2 (2)
C1B—C2B—C3B—N2B66.3 (2)C6C—C7C—C8C—N4C67.7 (2)
C4B—C2B—C3B—N2B58.5 (2)C9C—C7C—C8C—N4C57.6 (3)
C5B—C2B—C3B—N2B177.53 (17)C10C—C7C—C8C—N4C176.8 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2A—H2A2···O4P0.912.042.940 (3)172
N3A—H3A2···O3Q0.912.223.075 (2)157
N4A—H4A2···O4P0.912.363.110 (3)139
N2B—H2B1···O1P0.912.503.376 (3)161
N3B—H3B1···O2Q0.912.072.965 (3)166
N3B—H3B2···O1R0.912.413.275 (3)159
N1C—H1C1···O5R0.912.343.097 (3)140
N4C—H4C1···O3R0.912.012.867 (5)155
N4C—H4C1···O5R0.912.343.180 (5)153
N1A—H1A1···O1Pi0.912.553.393 (3)155
N3A—H3A1···O1Pi0.912.193.004 (2)149
N3A—H3A1···O3Pi0.912.523.354 (3)153
N2C—H2C2···O2Ri0.912.112.889 (4)143
N2C—H2C2···O7Ri0.912.032.841 (4)147
N3C—H3C2···O2Ri0.912.052.878 (4)151
N2B—H2B2···O1Qii0.912.032.925 (3)169
N4B—H4B2···O1Qii0.912.483.054 (3)121
N4A—H4A1···Br1B0.912.673.4808 (17)148
N1B—H1B2···Br2A0.912.773.6017 (18)152
N4B—H4B1···Br1Cii0.912.853.6715 (17)150
N1C—H1C2···Br1Aiii0.912.673.5081 (18)153
N3C—H3C1···Br2Bi0.912.683.4568 (18)145
N4A—H4A2···Br2Civ0.912.933.6665 (17)139
Symmetry codes: (i) x+3/2, y+1/2, z; (ii) x+3/2, y1/2, z; (iii) x+3/2, y+1, z1/2; (iv) x+3/2, y+1, z+1/2.

Experimental details

Crystal data
Chemical formula[CrBr2(C5H14N2)2]ClO4
Mr515.63
Crystal system, space groupOrthorhombic, Pbca
Temperature (K)100
a, b, c (Å)20.656 (4), 17.666 (4), 31.305 (6)
V3)11423 (4)
Z24
Radiation typeSynchrotron, λ = 0.62998 Å
µ (mm1)3.60
Crystal size (mm)0.12 × 0.10 × 0.05
Data collection
DiffractometerADSC Q210 CCD area-detector
diffractometer
Absorption correctionEmpirical (using intensity measurements)
(HKL3000sm SCALEPACK; Otwinowski & Minor, 1997)
Tmin, Tmax0.670, 0.841
No. of measured, independent and
observed [I > 2σ(I)] reflections
115348, 15666, 13691
Rint0.036
(sin θ/λ)max1)0.696
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.031, 0.086, 1.04
No. of reflections15666
No. of parameters636
No. of restraints6
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.25, 1.42

Computer programs: PAL ADSC Quantum-210 ADX (Arvai & Nielsen, 1983), HKL3000sm (Otwinowski & Minor, 1997), SHELXS2013 (Sheldrick, 2015), SHELXL2014/7 (Sheldrick, 2015), DIAMOND (Brandenburg, 2014), publCIF (Westrip, 2010) and PLATON (Spek, 2009).

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2A—H2A2···O4P0.912.042.940 (3)172.0
N3A—H3A2···O3Q0.912.223.075 (2)156.8
N4A—H4A2···O4P0.912.363.110 (3)139.1
N2B—H2B1···O1P0.912.503.376 (3)161.0
N3B—H3B1···O2Q0.912.072.965 (3)165.7
N3B—H3B2···O1R0.912.413.275 (3)159.3
N1C—H1C1···O5R0.912.343.097 (3)140.0
N4C—H4C1···O3R0.912.012.867 (5)155.4
N4C—H4C1···O5R0.912.343.180 (5)153.4
N1A—H1A1···O1Pi0.912.553.393 (3)154.6
N3A—H3A1···O1Pi0.912.193.004 (2)148.5
N3A—H3A1···O3Pi0.912.523.354 (3)152.8
N2C—H2C2···O2Ri0.912.112.889 (4)142.8
N2C—H2C2···O7Ri0.912.032.841 (4)147.2
N3C—H3C2···O2Ri0.912.052.878 (4)150.9
N2B—H2B2···O1Qii0.912.032.925 (3)168.6
N4B—H4B2···O1Qii0.912.483.054 (3)121.4
N4A—H4A1···Br1B0.912.673.4808 (17)148.3
N1B—H1B2···Br2A0.912.773.6017 (18)152.3
N4B—H4B1···Br1Cii0.912.853.6715 (17)150.4
N1C—H1C2···Br1Aiii0.912.673.5081 (18)152.8
N3C—H3C1···Br2Bi0.912.683.4568 (18)144.5
N4A—H4A2···Br2Civ0.912.933.6665 (17)138.7
Symmetry codes: (i) x+3/2, y+1/2, z; (ii) x+3/2, y1/2, z; (iii) x+3/2, y+1, z1/2; (iv) x+3/2, y+1, z+1/2.
 

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