Di-μ-bromido-bis­({bis­[2-(2-pyrid­yl)eth­yl]amine}copper(II)) bis­(perchlorate)

Butcher, R.J.; Gultneh, Y.; Yisgedu, T.B.; Tesema, Y.T.

doi:10.1107/S1600536807068663

Di-μ-bromido-bis({bis[2-(2-pyridyl)ethyl]amine}copper(II)) bis(perchlorate)

R. J. Butcher, Y. Gultneh, T. B. Yisgedu and Y. T. Tesema

Each Cu atom in the dinuclear centrosymmetric title complex, [Cu₂Br₂(C₁₄H₁₇N₃)₂](ClO₄)₂, is ligated in a distorted square-pyramidal geometry (τ = 0.31) by a tridentate bis[2-(2-pyridyl)ethyl]amine ligand, and by two bridging Br atoms. In addition, the dinuclear species is stabilized by two hydrogen-bonded perchlorate anions.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807068663/tk2238sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536807068663/tk2238Isup2.hkl Contains datablock I

CCDC reference: 677438

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
Disorder in solvent or counterion
R factor = 0.043
wR factor = 0.095
Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Br     -   Cu_a    ..      33.23 su

Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.54
PLAT231_ALERT_4_C Hirshfeld Test (Solvent)   O13A   -   O12B    ..       5.48 su
PLAT231_ALERT_4_C Hirshfeld Test (Solvent)   O14A   -   O12B    ..       8.07 su
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         Cl
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      44.00 Perc.
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          8
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3
            N   -CU  -BR  -CU    -50.00  3.00   1.555   1.555   1.555   2.676
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          7
            BR  -CU  -N   -C7B  -106.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         11
            BR  -CU  -N   -C7A   122.00  3.00   1.555   1.555   1.555   1.555
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         17
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2
              Cl O4

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.544
            Tmax scaled      0.516 Tmin scaled      0.310
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         50

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  11 ALERT level C = Check and explain
   4 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
  10 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Comment top

Complex (I), Fig. 1, contains two Cu(II) atoms, each within a distorted square-pyramidal geometry (τ = 0.31, Addison et al., 1984) where one amine-N atom, two pyridine-N atoms and one Br atom constitute the basal plane with Cu—N_pyridine = 2.012 (3) and 2.000 (3) Å, Cu—N_amine = 2.044 (3) Å and Cu—Br = 2.4542 (7) Å. The axial position is occupied by the second Br atom with Cu—Br = 2.8908 (8) Å, the longer distance being consistent with a Jahn-Teller elongation. Pairs of these square-pyramidal Cu complexes form dimers about a center of inversion, being mutually bridged by the Br atoms. In addition, the dinuclear complex is stabilized by two N—H···O hydrogen bonded ClO₄^- anions (Table 1) and the crystal packing is consolidated by a variety of hydrogen bonding interactions (Fig. 2 and Table 1).

Related literature top

For related literature, see: Chakrabarty et al. (2004); Helis et al. (1977); Marsh et al. (1983); Udugala-Ganehenege, et al. (2001); Xu et al. (2000). For calculation of coordination geometry, see: Addison et al. (1984).

Experimental top

The title complex was synthesized by reacting Cu(ClO₄)₂.6H₂O (0.37 g, 1 mmol), bis[2-(2-pyridyl)ethyl]amine (0.227 g, 1 mmol) and potassium bromide (0.0297 g, 0.25 mmol) in acetonitrile (15 ml) for 4 h at room temperature. X-ray quality crystals were grown by slow diffusion of diethyl ether into an acetonitrile solution of the complex.

Computing details top

Data collection: XSCANS (Bruker, 1997); cell refinement: XSCANS (Bruker, 1997); data reduction: XSCANS (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Bruker, 2000); software used to prepare material for publication: SHELXTL (Bruker, 2000).

Figures top

	Fig. 1. Complex (I) showing numbering scheme and displacement ellipsoids at the 20% probabilty level.
	Fig. 2. The packing arrangement viewed down the a axis showing the intramolecular N—H···O and intermolecular C—H···O interactions (dashed bonds).

Di-µ-bromido-bis({bis[2-(2-pyridyl)ethyl]amine}copper(II)) bis(perchlorate) top

Crystal data top

[Cu₂Br₂(C₁₄H₁₇N₃)₂](ClO₄)₂	Z = 1
M_r = 940.41	F(000) = 470
Triclinic, P1	D_x = 1.769 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.8002 (13) Å	Cell parameters from 49 reflections
b = 11.413 (2) Å	θ = 2.1–12.5°
c = 12.668 (2) Å	µ = 3.68 mm⁻¹
α = 67.212 (8)°	T = 293 K
β = 77.019 (13)°	Thick needle, blue
γ = 87.033 (15)°	0.42 × 0.21 × 0.18 mm
V = 882.6 (3) Å³

Data collection top

Bruker P4 diffractometer	2960 reflections with I > 2σ˘I)
Radiation source: fine-focus sealed tube	R_int = 0.018
Graphite monochromator	θ_max = 27.5°, θ_min = 2.1°
ω scans	h = −8→0
Absorption correction: ψ scan (North et al., 1968)	k = −13→13
T_min = 0.569, T_max = 0.948	l = −16→16
3951 measured reflections	3 standard reflections every 97 reflections
3936 independent reflections	intensity decay: <2

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)] = 0.042	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.095	H-atom parameters constrained
S = 1.04	w = 1/[σ²(F_o²) + (0.0336P)² + 0.6582P] where P = (F_o² + 2F_c²)/3
3936 reflections	(Δ/σ)_max < 0.001
255 parameters	Δρ_max = 0.50 e Å⁻³
50 restraints	Δρ_min = −0.36 e Å⁻³

Crystal data top

[Cu₂Br₂(C₁₄H₁₇N₃)₂](ClO₄)₂	γ = 87.033 (15)°
M_r = 940.41	V = 882.6 (3) Å³
Triclinic, P1	Z = 1
a = 6.8002 (13) Å	Mo Kα radiation
b = 11.413 (2) Å	µ = 3.68 mm⁻¹
c = 12.668 (2) Å	T = 293 K
α = 67.212 (8)°	0.42 × 0.21 × 0.18 mm
β = 77.019 (13)°

Data collection top

Bruker P4 diffractometer	2960 reflections with I > 2σ˘I)
Absorption correction: ψ scan (North et al., 1968)	R_int = 0.018
T_min = 0.569, T_max = 0.948	3 standard reflections every 97 reflections
3951 measured reflections	intensity decay: <2
3936 independent reflections

Refinement top

R[F² > 2σ(F²)] = 0.042	50 restraints
wR(F²) = 0.095	H-atom parameters constrained
S = 1.04	Δρ_max = 0.50 e Å⁻³
3936 reflections	Δρ_min = −0.36 e Å⁻³
255 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.

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Cu	0.60810 (7)	0.98360 (4)	0.63720 (4)	0.03731 (14)
Br	0.76316 (6)	0.97756 (4)	0.44483 (3)	0.03934 (12)
Cl	0.19832 (18)	1.27274 (11)	0.86706 (12)	0.0588 (3)
O11A	0.062 (3)	1.3663 (19)	0.856 (2)	0.149 (8)	0.543 (17)
O12A	0.117 (3)	1.1516 (12)	0.9388 (14)	0.094 (5)	0.543 (17)
O13A	0.372 (2)	1.2975 (11)	0.8979 (15)	0.110 (4)	0.543 (17)
O14A	0.2714 (18)	1.2648 (13)	0.7496 (8)	0.101 (4)	0.543 (17)
O11B	0.010 (2)	1.332 (2)	0.8582 (19)	0.100 (5)	0.457 (17)
O12B	0.346 (3)	1.3175 (18)	0.7719 (15)	0.155 (7)	0.457 (17)
O13B	0.155 (3)	1.1399 (11)	0.9066 (16)	0.072 (4)	0.457 (17)
O14B	0.256 (3)	1.2875 (13)	0.9664 (14)	0.110 (5)	0.457 (17)
N	0.4740 (5)	0.9948 (3)	0.7943 (3)	0.0424 (8)
H0A	0.3920	1.0619	0.7755	0.051*
N1A	0.6270 (5)	0.7958 (3)	0.7201 (3)	0.0391 (7)
N1B	0.6733 (5)	1.1709 (3)	0.5811 (3)	0.0380 (7)
C1A	0.8000 (7)	0.7390 (4)	0.6945 (4)	0.0495 (10)
H1AA	0.9093	0.7891	0.6398	0.059*
C2A	0.8210 (9)	0.6113 (5)	0.7456 (5)	0.0666 (14)
H2AA	0.9433	0.5751	0.7279	0.080*
C3A	0.6575 (9)	0.5370 (5)	0.8238 (5)	0.0730 (16)
H3AA	0.6662	0.4492	0.8572	0.088*
C4A	0.4811 (8)	0.5932 (4)	0.8524 (4)	0.0581 (12)
H4AA	0.3702	0.5436	0.9058	0.070*
C5A	0.4694 (6)	0.7240 (4)	0.8012 (3)	0.0412 (9)
C6A	0.2871 (6)	0.7913 (4)	0.8353 (4)	0.0487 (10)
H6AA	0.1859	0.7293	0.8942	0.058*
H6AB	0.2304	0.8359	0.7672	0.058*
C7A	0.3377 (8)	0.8864 (4)	0.8842 (4)	0.0609 (13)
H7AA	0.2134	0.9198	0.9144	0.073*
H7AB	0.4022	0.8424	0.9492	0.073*
C1B	0.6256 (7)	1.2605 (4)	0.4855 (4)	0.0488 (10)
H1BA	0.5619	1.2350	0.4397	0.059*
C2B	0.6661 (8)	1.3874 (4)	0.4520 (5)	0.0609 (13)
H2BA	0.6339	1.4470	0.3842	0.073*
C3B	0.7563 (8)	1.4244 (5)	0.5220 (6)	0.0681 (15)
H3BA	0.7819	1.5103	0.5031	0.082*
C4B	0.8084 (7)	1.3342 (5)	0.6198 (5)	0.0623 (14)
H4BA	0.8725	1.3584	0.6662	0.075*
C5B	0.7646 (6)	1.2071 (4)	0.6483 (4)	0.0435 (10)
C6B	0.8117 (7)	1.1013 (5)	0.7541 (4)	0.0544 (12)
H6BB	0.8924	1.1359	0.7902	0.065*
H6BC	0.8917	1.0401	0.7290	0.065*
C7B	0.6244 (7)	1.0334 (5)	0.8450 (4)	0.0546 (12)
H7BB	0.6642	0.9582	0.9043	0.065*
H7BC	0.5613	1.0889	0.8835	0.065*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cu	0.0479 (3)	0.0350 (3)	0.0253 (2)	−0.0001 (2)	−0.0020 (2)	−0.01082 (19)
Br	0.0328 (2)	0.0541 (3)	0.0300 (2)	0.00276 (17)	−0.00239 (15)	−0.01773 (18)
Cl	0.0517 (7)	0.0459 (6)	0.0707 (8)	0.0054 (5)	−0.0143 (6)	−0.0138 (6)
O11A	0.161 (13)	0.099 (11)	0.191 (11)	0.081 (10)	−0.070 (10)	−0.051 (9)
O12A	0.097 (8)	0.071 (7)	0.085 (8)	−0.005 (6)	0.011 (6)	−0.013 (5)
O13A	0.106 (8)	0.093 (6)	0.145 (10)	−0.012 (6)	−0.050 (7)	−0.047 (7)
O14A	0.080 (7)	0.125 (9)	0.080 (6)	0.007 (6)	0.004 (5)	−0.035 (5)
O11B	0.098 (8)	0.102 (11)	0.128 (9)	0.067 (8)	−0.054 (7)	−0.065 (8)
O12B	0.120 (10)	0.146 (11)	0.119 (10)	−0.020 (8)	0.044 (9)	0.000 (9)
O13B	0.066 (7)	0.050 (5)	0.109 (11)	0.007 (5)	−0.025 (7)	−0.037 (6)
O14B	0.146 (13)	0.105 (8)	0.104 (10)	−0.010 (9)	−0.058 (9)	−0.048 (8)
N	0.049 (2)	0.0437 (19)	0.0311 (17)	0.0068 (16)	−0.0029 (15)	−0.0148 (15)
N1A	0.047 (2)	0.0372 (17)	0.0296 (16)	0.0006 (15)	−0.0069 (14)	−0.0102 (14)
N1B	0.0389 (18)	0.0410 (18)	0.0323 (17)	−0.0025 (14)	−0.0032 (14)	−0.0143 (14)
C1A	0.049 (3)	0.051 (3)	0.044 (2)	0.007 (2)	−0.008 (2)	−0.016 (2)
C2A	0.074 (4)	0.052 (3)	0.062 (3)	0.018 (3)	−0.007 (3)	−0.015 (3)
C3A	0.097 (4)	0.037 (3)	0.069 (3)	0.009 (3)	−0.009 (3)	−0.010 (2)
C4A	0.071 (3)	0.043 (3)	0.045 (3)	−0.006 (2)	0.001 (2)	−0.007 (2)
C5A	0.050 (2)	0.042 (2)	0.0287 (19)	−0.0002 (18)	−0.0094 (17)	−0.0101 (17)
C6A	0.044 (2)	0.046 (2)	0.041 (2)	−0.0035 (19)	−0.0038 (19)	−0.0031 (19)
C7A	0.074 (3)	0.052 (3)	0.042 (2)	0.002 (2)	0.012 (2)	−0.016 (2)
C1B	0.055 (3)	0.046 (2)	0.045 (2)	−0.002 (2)	−0.012 (2)	−0.016 (2)
C2B	0.059 (3)	0.044 (3)	0.063 (3)	−0.003 (2)	−0.004 (2)	−0.007 (2)
C3B	0.058 (3)	0.043 (3)	0.097 (4)	−0.011 (2)	0.006 (3)	−0.032 (3)
C4B	0.049 (3)	0.073 (3)	0.079 (4)	−0.015 (2)	−0.004 (3)	−0.047 (3)
C5B	0.037 (2)	0.057 (3)	0.042 (2)	−0.0043 (19)	−0.0035 (18)	−0.026 (2)
C6B	0.045 (2)	0.083 (3)	0.045 (3)	0.012 (2)	−0.015 (2)	−0.033 (2)
C7B	0.060 (3)	0.074 (3)	0.032 (2)	0.011 (2)	−0.014 (2)	−0.021 (2)

Geometric parameters (Å, º) top

Cu—N1A	2.000 (3)	C3A—C4A	1.373 (7)
Cu—N1B	2.012 (3)	C3A—H3AA	0.9300
Cu—N	2.044 (3)	C4A—C5A	1.385 (6)
Cu—Br	2.4542 (7)	C4A—H4AA	0.9300
Cu—Brⁱ	2.8908 (8)	C5A—C6A	1.494 (6)
Br—Cuⁱ	2.8908 (8)	C6A—C7A	1.528 (7)
Cl—O12B	1.326 (11)	C6A—H6AA	0.9700
Cl—O11A	1.361 (11)	C6A—H6AB	0.9700
Cl—O12A	1.388 (11)	C7A—H7AA	0.9700
Cl—O13A	1.397 (9)	C7A—H7AB	0.9700
Cl—O13B	1.424 (11)	C1B—C2B	1.366 (6)
Cl—O11B	1.424 (11)	C1B—H1BA	0.9300
Cl—O14B	1.469 (10)	C2B—C3B	1.379 (8)
Cl—O14A	1.495 (9)	C2B—H2BA	0.9300
N—C7B	1.488 (6)	C3B—C4B	1.375 (8)
N—C7A	1.496 (5)	C3B—H3BA	0.9300
N—H0A	0.9100	C4B—C5B	1.384 (6)
N1A—C5A	1.349 (5)	C4B—H4BA	0.9300
N1A—C1A	1.350 (5)	C5B—C6B	1.502 (6)
N1B—C1B	1.342 (5)	C6B—C7B	1.517 (6)
N1B—C5B	1.349 (5)	C6B—H6BB	0.9700
C1A—C2A	1.361 (6)	C6B—H6BC	0.9700
C1A—H1AA	0.9300	C7B—H7BB	0.9700
C2A—C3A	1.374 (7)	C7B—H7BC	0.9700
C2A—H2AA	0.9300

N1A—Cu—N1B	159.15 (14)	C5A—C4A—H4AA	120.2
N1A—Cu—N	89.40 (13)	N1A—C5A—C4A	120.4 (4)
N1B—Cu—N	85.66 (13)	N1A—C5A—C6A	117.6 (4)
N1A—Cu—Br	92.56 (9)	C4A—C5A—C6A	122.0 (4)
N1B—Cu—Br	92.79 (9)	C5A—C6A—C7A	111.7 (4)
N—Cu—Br	177.86 (10)	C5A—C6A—H6AA	109.3
N1A—Cu—Brⁱ	106.74 (10)	C7A—C6A—H6AA	109.3
N1B—Cu—Brⁱ	93.79 (10)	C5A—C6A—H6AB	109.3
N—Cu—Brⁱ	93.61 (10)	C7A—C6A—H6AB	109.3
Br—Cu—Brⁱ	85.00 (2)	H6AA—C6A—H6AB	107.9
Cu—Br—Cuⁱ	95.00 (2)	N—C7A—C6A	112.9 (3)
O11A—Cl—O13A	113.7 (9)	N—C7A—H7AA	109.0
O12A—Cl—O13A	111.2 (9)	C6A—C7A—H7AA	109.0
O12B—Cl—O11B	115.9 (11)	N—C7A—H7AB	109.0
O13B—Cl—O11B	105.7 (9)	C6A—C7A—H7AB	109.0
O12B—Cl—O14B	110.1 (9)	H7AA—C7A—H7AB	107.8
O13B—Cl—O14B	104.4 (8)	N1B—C1B—C2B	123.3 (4)
O11B—Cl—O14B	106.0 (9)	N1B—C1B—H1BA	118.4
O11A—Cl—O14A	108.1 (10)	C2B—C1B—H1BA	118.4
O12A—Cl—O14A	103.5 (7)	C1B—C2B—C3B	117.9 (5)
O13A—Cl—O14A	105.2 (6)	C1B—C2B—H2BA	121.1
C7B—N—C7A	112.0 (3)	C3B—C2B—H2BA	121.1
C7B—N—Cu	110.9 (3)	C4B—C3B—C2B	119.9 (5)
C7A—N—Cu	118.5 (3)	C4B—C3B—H3BA	120.0
C7B—N—H0A	104.7	C2B—C3B—H3BA	120.0
C7A—N—H0A	104.7	C3B—C4B—C5B	119.3 (5)
Cu—N—H0A	104.7	C3B—C4B—H4BA	120.4
C5A—N1A—C1A	119.0 (4)	C5B—C4B—H4BA	120.4
C5A—N1A—Cu	121.3 (3)	N1B—C5B—C4B	120.9 (4)
C1A—N1A—Cu	119.8 (3)	N1B—C5B—C6B	115.5 (4)
C1B—N1B—C5B	118.7 (4)	C4B—C5B—C6B	123.6 (4)
C1B—N1B—Cu	124.8 (3)	C5B—C6B—C7B	113.2 (4)
C5B—N1B—Cu	116.4 (3)	C5B—C6B—H6BB	108.9
N1A—C1A—C2A	122.7 (4)	C7B—C6B—H6BB	108.9
N1A—C1A—H1AA	118.7	C5B—C6B—H6BC	108.9
C2A—C1A—H1AA	118.7	C7B—C6B—H6BC	108.9
C1A—C2A—C3A	118.5 (5)	H6BB—C6B—H6BC	107.8
C1A—C2A—H2AA	120.7	N—C7B—C6B	113.2 (3)
C3A—C2A—H2AA	120.7	N—C7B—H7BB	108.9
C4A—C3A—C2A	119.7 (5)	C6B—C7B—H7BB	108.9
C4A—C3A—H3AA	120.1	N—C7B—H7BC	108.9
C2A—C3A—H3AA	120.1	C6B—C7B—H7BC	108.9
C3A—C4A—C5A	119.6 (4)	H7BB—C7B—H7BC	107.7
C3A—C4A—H4AA	120.2

N1A—Cu—Br—Cuⁱ	106.59 (10)	N1A—C1A—C2A—C3A	1.8 (8)
N1B—Cu—Br—Cuⁱ	−93.56 (10)	C1A—C2A—C3A—C4A	−2.8 (9)
N—Cu—Br—Cuⁱ	−50 (3)	C2A—C3A—C4A—C5A	0.6 (8)
Brⁱ—Cu—Br—Cuⁱ	0.0	C1A—N1A—C5A—C4A	−3.7 (6)
N1A—Cu—N—C7B	97.3 (3)	Cu—N1A—C5A—C4A	176.0 (3)
N1B—Cu—N—C7B	−62.4 (3)	C1A—N1A—C5A—C6A	174.5 (4)
Br—Cu—N—C7B	−106 (3)	Cu—N1A—C5A—C6A	−5.8 (5)
Brⁱ—Cu—N—C7B	−155.9 (3)	C3A—C4A—C5A—N1A	2.7 (7)
N1A—Cu—N—C7A	−34.3 (3)	C3A—C4A—C5A—C6A	−175.4 (5)
N1B—Cu—N—C7A	166.0 (3)	N1A—C5A—C6A—C7A	−58.6 (5)
Br—Cu—N—C7A	122 (3)	C4A—C5A—C6A—C7A	119.6 (5)
Brⁱ—Cu—N—C7A	72.5 (3)	C7B—N—C7A—C6A	−142.0 (4)
N1B—Cu—N1A—C5A	121.2 (4)	Cu—N—C7A—C6A	−10.9 (5)
N—Cu—N1A—C5A	45.1 (3)	C5A—C6A—C7A—N	65.9 (5)
Br—Cu—N1A—C5A	−134.1 (3)	C5B—N1B—C1B—C2B	0.4 (7)
Brⁱ—Cu—N1A—C5A	−48.5 (3)	Cu—N1B—C1B—C2B	177.7 (4)
N1B—Cu—N1A—C1A	−59.1 (5)	N1B—C1B—C2B—C3B	−1.5 (7)
N—Cu—N1A—C1A	−135.2 (3)	C1B—C2B—C3B—C4B	2.1 (8)
Br—Cu—N1A—C1A	45.6 (3)	C2B—C3B—C4B—C5B	−1.7 (8)
Brⁱ—Cu—N1A—C1A	131.2 (3)	C1B—N1B—C5B—C4B	0.1 (6)
N1A—Cu—N1B—C1B	157.2 (4)	Cu—N1B—C5B—C4B	−177.4 (3)
N—Cu—N1B—C1B	−126.0 (3)	C1B—N1B—C5B—C6B	179.6 (4)
Br—Cu—N1B—C1B	52.5 (3)	Cu—N1B—C5B—C6B	2.1 (4)
Brⁱ—Cu—N1B—C1B	−32.6 (3)	C3B—C4B—C5B—N1B	0.6 (7)
N1A—Cu—N1B—C5B	−25.4 (5)	C3B—C4B—C5B—C6B	−178.9 (4)
N—Cu—N1B—C5B	51.3 (3)	N1B—C5B—C6B—C7B	−66.2 (5)
Br—Cu—N1B—C5B	−130.2 (3)	C4B—C5B—C6B—C7B	113.3 (5)
Brⁱ—Cu—N1B—C5B	144.7 (3)	C7A—N—C7B—C6B	156.6 (4)
C5A—N1A—C1A—C2A	1.4 (7)	Cu—N—C7B—C6B	21.7 (5)
Cu—N1A—C1A—C2A	−178.3 (4)	C5B—C6B—C7B—N	49.4 (5)

Symmetry code: (i) −x+1, −y+2, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N—H0A···O14A	0.91	2.34	3.205 (12)	159
N—H0A···O13B	0.91	2.44	3.089 (18)	129
C6A—H6AB···Brⁱ	0.97	2.70	3.588 (4)	153
C6B—H6BC···Brⁱⁱ	0.97	2.89	3.706 (4)	142
C6B—H6BB···O13Bⁱⁱⁱ	0.97	2.57	3.487 (18)	158
C2A—H2AA···O11A^iv	0.93	2.52	3.162 (14)	126
C7A—H7AA···O12A^v	0.97	2.51	3.322 (16)	141
C7A—H7AA···O13B	0.97	2.49	3.179 (15)	128
C3A—H3AA···O13A^vi	0.93	2.54	3.142 (12)	122

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

Experimental details

Crystal data
Chemical formula	[Cu₂Br₂(C₁₄H₁₇N₃)₂](ClO₄)₂
M_r	940.41
Crystal system, space group	Triclinic, P1
Temperature (K)	293
a, b, c (Å)	6.8002 (13), 11.413 (2), 12.668 (2)
α, β, γ (°)	67.212 (8), 77.019 (13), 87.033 (15)
V (Å³)	882.6 (3)
Z	1
Radiation type	Mo Kα
µ (mm⁻¹)	3.68
Crystal size (mm)	0.42 × 0.21 × 0.18

Data collection
Diffractometer	Bruker P4 diffractometer
Absorption correction	ψ scan (North et al., 1968)
T_min, T_max	0.569, 0.948
No. of measured, independent and observed [I > 2σ˘I)] reflections	3951, 3936, 2960
R_int	0.018
(sin θ/λ)_max (Å⁻¹)	0.650

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.042, 0.095, 1.04
No. of reflections	3936
No. of parameters	255
No. of restraints	50
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.50, −0.36

Computer programs: XSCANS (Bruker, 1997), XSCANS (Bruker, 1997), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Bruker, 2000).