Crystal structure of poly[hexa-μ-bro­mido-bis{2-[1-(py­ri­din-2-yl)ethyl­idene­amino]ethanol­ato}tetracopper(II)]

In the title Schiff base tetra­nuclear copper(II) complex, two discrete environments are present in the structure: CuN₂OBr₂ and CuBr₄. Two copper(II) cations are situated in distorted square-based pyramidal environment, while two copper(II) cations are located in distorted tetra­hedral geometry.

Key indicators

Structure: I

• Single-crystal X-ray study
• T = 292 K
• Mean [sigma](C-C) = 0.011 Å
Some non-H atoms missing
• Disorder in main residue
• R factor = 0.029
• wR factor = 0.076
• Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ     Please Check
              Calc: C18 H23 Br6 Cu4 N4 O2
              Rep.: C18 H22 Br6 Cu4 N4 O2
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ     Please Check
              Calc: C18 H23 Br6 Cu4 N4 O2
              Rep.: C18 H22 Br6 Cu4 N4 O2
PLAT220_ALERT_2_C NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        3.5 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C5       --C6       .        5.7 s.u.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C8       --C9       .        6.2 s.u.
PLAT234_ALERT_4_C Large Hirshfeld Difference Cu1A     --N1       .       0.18 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference Cu1A     --N2       .       0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference Cu2A     --O2       .       0.19 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference Cu2A     --N3       .       0.21 Ang.
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of         C9 Check
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.01057 Ang.
PLAT481_ALERT_4_C Long D...A H-Bond Reported C18      ..BR4      .       4.09 Ang.

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C18 H22 Br6 Cu4 N4 O2
            Atom count from the _atom_site data:  C18 H23 Br6 Cu4 N4 O2
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G ALERT: Large difference may be due to a
            symmetry error - see SYMMG tests
           From the CIF: _cell_formula_units_Z    4
           From the CIF: _chemical_formula_sum  C18 H22 Br6 Cu4 N4 O2
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C         72.00     72.00    0.00
           H         88.00     92.00   -4.00
           Br        24.00     24.00    0.00
           Cu        16.00     16.00    0.00
           N         16.00     16.00    0.00
           O          8.00      8.00    0.00
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          2 Info
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          2 Report
              H1    H2
PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem         n         80 %Fit
PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem         n         80 %Fit
PLAT171_ALERT_4_G The CIF-Embedded .res File Contains EADP Records          4 Report
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br1      --Cu3      .       27.7 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br2      --Cu3      .       19.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br2      --Cu1_a    .       15.8 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br3      --Cu3      .       16.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br3      --Cu3A     .       25.7 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br3      --Cu4_d    .       56.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br3      --Cu4A_d   .       51.7 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br4      --Cu3      .       61.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br4      --Cu4      .       12.3 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br4      --Cu3A     .       52.7 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br4      --Cu4A     .       20.8 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Br5      --Cu2      .       15.5 s.u.
PLAT300_ALERT_4_G Atom Site Occupancy of Cu4        Constrained at       0.94 Check
PLAT300_ALERT_4_G Atom Site Occupancy of Cu4A       Constrained at       0.06 Check
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )        24% Note
PLAT380_ALERT_4_G Incorrectly? Oriented X(sp2)-Methyl Moiety .....         C7 Check
PLAT432_ALERT_2_G Short Inter X...Y Contact  Br2A     ..C2       .       3.32 Ang.
                                           2-x,-1/2+y,3/2-z  =      2_746 Check
PLAT480_ALERT_4_G Long H...A H-Bond Reported H4       ..BR2      .       3.04 Ang.
PLAT480_ALERT_4_G Long H...A H-Bond Reported H13      ..BR5      .       2.99 Ang.
PLAT480_ALERT_4_G Long H...A H-Bond Reported H1A      ..BR1      .       2.96 Ang.
PLAT480_ALERT_4_G Long H...A H-Bond Reported H11      ..BR3      .       2.95 Ang.
PLAT480_ALERT_4_G Long H...A H-Bond Reported H11      ..BR5      .       3.05 Ang.
PLAT480_ALERT_4_G Long H...A H-Bond Reported H9       ..BR5      .       2.98 Ang.
PLAT480_ALERT_4_G Long H...A H-Bond Reported H2A      ..BR2      .       3.09 Ang.
PLAT480_ALERT_4_G Long H...A H-Bond Reported H18A     ..BR2      .       3.02 Ang.
PLAT480_ALERT_4_G Long H...A H-Bond Reported H18B     ..BR4      .       3.13 Ang.
PLAT480_ALERT_4_G Long H...A H-Bond Reported H7C      ..BR1      .       2.99 Ang.
PLAT480_ALERT_4_G Long H...A H-Bond Reported H10      ..BR6      .       2.98 Ang.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF ...      17.70 Deg.
              CU4  -BR3  -CU4A    4_566   1_555   4_566 ......     #    7 Check
PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed ..          ! Info
PLAT933_ALERT_2_G Number of HKL-OMIT Records in Embedded .res File          2 Note
                0  1  3,   3  2  1,

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
  12 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  39 ALERT level G = General information/check it is not something unexpected

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

---

Computing details

Poly[hexa-µ-bromido-bis{2-[1-(pyridin-2-yl)ethylideneamino]ethanolato}\ tetracopper(II)]

Crystal data

[Cu4Br6(C9H11N2O)2]	F(000) = 2004
Mr = 1060	Dx = 2.551 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 23.1656 (12) Å	Cell parameters from 8413 reflections
b = 7.7041 (3) Å	θ = 2.6–28.6°
c = 16.5664 (8) Å	µ = 11.74 mm^−1
β = 110.896 (6)°	T = 292 K
V = 2762.1 (2) Å^3	Block, metallic greenish green
Z = 4	0.2 × 0.2 × 0.1 mm

Data collection

XtaLAB AFC12 (RINC): Kappa single diffractometer	4912 reflections with I > 2σ(I)
Detector resolution: 5.8140 pixels mm^-1	Rint = 0.056
ω scans	θmax = 26.0°, θmin = 2.5°
Absorption correction: multi-scan (CrysAlisPro; Rigaku OD, 2021)	h = −28→28
Tmin = 0.479, Tmax = 1.000	k = −9→9
40718 measured reflections	l = −20→20
5446 independent reflections

Refinement

Refinement on F^2	Primary atom site location: iterative
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.029	H-atom parameters constrained
wR(F^2) = 0.076	w = 1/[σ^2(Fo^2) + (0.0406P)^2 + 3.9895P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.001
5446 reflections	Δρmax = 0.95 e Å^−3
344 parameters	Δρmin = −0.97 e Å^−3
0 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refined as a 2-component twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Br2	0.87911 (3)	−0.06317 (11)	0.75247 (5)	0.03317 (18)	0.942 (2)
Br1	0.88670 (3)	0.43944 (11)	0.74718 (4)	0.03271 (18)	0.942 (2)
Br4	0.75698 (3)	0.22558 (9)	0.56292 (4)	0.03737 (17)
Br3	0.74379 (3)	0.24099 (10)	0.80563 (5)	0.03751 (17)
Cu1	0.88539 (3)	0.65639 (9)	0.84828 (4)	0.02455 (19)	0.942 (2)
Br6	0.61671 (5)	1.04176 (13)	0.36210 (6)	0.0314 (2)	0.927 (3)
Br5	0.62288 (6)	0.54630 (11)	0.37724 (8)	0.0332 (3)	0.927 (3)
Cu3	0.81423 (4)	0.18899 (12)	0.73163 (7)	0.0435 (3)	0.942 (2)
Cu2	0.61485 (3)	0.82568 (9)	0.46447 (5)	0.0242 (3)	0.927 (3)
Cu4	0.68932 (4)	0.29613 (14)	0.41925 (6)	0.0428 (2)	0.94
O1	0.79475 (19)	0.6363 (6)	0.8272 (3)	0.0420 (10)
H1	0.779586	0.539265	0.824191	0.063*
N4	0.6105 (3)	0.7513 (7)	0.5758 (3)	0.0334 (12)
C5	0.9925 (4)	0.7463 (9)	0.9904 (5)	0.0432 (8)
N2	0.8871 (3)	0.7459 (7)	0.9601 (3)	0.0313 (11)
N1	0.9763 (2)	0.6809 (6)	0.9083 (3)	0.0265 (10)
O2	0.7056 (2)	0.8353 (6)	0.5357 (3)	0.0429 (11)
H2	0.723439	0.928382	0.550139	0.064*
N3	0.5234 (2)	0.8094 (6)	0.4310 (3)	0.0276 (10)
C14	0.5054 (3)	0.7543 (6)	0.4956 (4)	0.0186 (10)
C15	0.5566 (3)	0.7292 (7)	0.5798 (4)	0.0297 (13)
C4	1.0527 (3)	0.7781 (9)	1.0393 (5)	0.0428 (9)
H4	1.063117	0.821780	1.095059	0.051*
C3	1.0989 (3)	0.7447 (9)	1.0053 (5)	0.0433 (18)
H3	1.140193	0.765954	1.038035	0.052*
C13	0.4433 (3)	0.7302 (9)	0.4831 (4)	0.0357 (14)
H13	0.431362	0.697402	0.528913	0.043*
C12	0.3997 (3)	0.7558 (9)	0.4020 (5)	0.0370 (16)
H12	0.358158	0.735100	0.391713	0.044*
C1	1.0208 (3)	0.6488 (8)	0.8764 (4)	0.0343 (13)
H1A	1.009791	0.603748	0.820813	0.041*
C6	0.9388 (3)	0.7732 (8)	1.0175 (4)	0.0327 (14)
C17	0.6690 (3)	0.7424 (10)	0.6488 (5)	0.0432 (8)
H17A	0.669363	0.643175	0.685041	0.052*
H17B	0.675167	0.846878	0.683591	0.052*
C8	0.8269 (3)	0.7520 (10)	0.9717 (5)	0.0428 (9)
H8A	0.823678	0.655889	1.007648	0.051*
H8B	0.823301	0.859334	1.000096	0.051*
C11	0.4180 (3)	0.8116 (8)	0.3370 (4)	0.0382 (14)
H11	0.388755	0.832008	0.282335	0.046*
C9	0.7776 (4)	0.7413 (12)	0.8876 (7)	0.065 (2)
H9	0.739468	0.795640	0.874160	0.078*
C2	1.0825 (3)	0.6800 (9)	0.9228 (5)	0.0428 (9)
H2A	1.112396	0.657735	0.898744	0.051*
C18	0.7190 (3)	0.7249 (10)	0.6106 (5)	0.0432 (8)
H18A	0.758582	0.757213	0.653413	0.052*
H18B	0.721657	0.605151	0.594195	0.052*
C7	0.9505 (3)	0.8288 (9)	1.1081 (4)	0.0432 (8)
H7A	0.994219	0.840791	1.138423	0.065*
H7B	0.934353	0.743263	1.136518	0.065*
H7C	0.930618	0.938153	1.107883	0.065*
C10	0.4802 (3)	0.8381 (8)	0.3522 (4)	0.0339 (13)
H10	0.492326	0.876321	0.307443	0.041*
C16	0.5438 (4)	0.6878 (10)	0.6593 (4)	0.0495 (18)
H16A	0.582073	0.671873	0.706658	0.074*
H16B	0.519781	0.583169	0.650470	0.074*
H16C	0.521134	0.781528	0.672180	0.074*
Cu1A	0.8866 (8)	0.837 (2)	0.8496 (12)	0.052 (5)	0.058 (2)
Br1A	0.8769 (7)	0.549 (3)	0.7560 (10)	0.059 (4)	0.058 (2)
Cu3A	0.8077 (7)	0.305 (2)	0.7280 (11)	0.0435 (3)	0.058 (2)
Br2A	0.8834 (8)	0.043 (3)	0.7447 (9)	0.059 (5)	0.058 (2)
Br6A	0.6204 (8)	0.962 (3)	0.3729 (11)	0.056 (4)	0.073 (3)
Cu2A	0.6147 (8)	0.6632 (17)	0.4634 (10)	0.062 (5)	0.073 (3)
Br5A	0.6162 (9)	0.474 (3)	0.3627 (10)	0.063 (5)	0.073 (3)
Cu4A	0.6888 (7)	0.190 (2)	0.4192 (10)	0.0428 (2)	0.06

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Br2	0.0374 (4)	0.0225 (3)	0.0403 (4)	0.0038 (3)	0.0146 (3)	0.0071 (3)
Br1	0.0417 (4)	0.0279 (4)	0.0331 (4)	−0.0146 (3)	0.0190 (3)	−0.0105 (3)
Br4	0.0293 (3)	0.0509 (4)	0.0253 (3)	−0.0027 (2)	0.0017 (3)	−0.0008 (2)
Br3	0.0309 (3)	0.0501 (4)	0.0380 (4)	−0.0067 (3)	0.0201 (3)	−0.0033 (3)
Cu1	0.0204 (4)	0.0282 (4)	0.0253 (4)	−0.0026 (3)	0.0084 (3)	−0.0037 (3)
Br6	0.0388 (4)	0.0259 (4)	0.0267 (4)	−0.0118 (4)	0.0084 (3)	0.0015 (4)
Br5	0.0387 (5)	0.0225 (4)	0.0389 (5)	0.0045 (3)	0.0143 (4)	−0.0040 (3)
Cu3	0.0419 (5)	0.0373 (5)	0.0589 (6)	0.0010 (4)	0.0271 (5)	−0.0042 (4)
Cu2	0.0202 (4)	0.0300 (4)	0.0218 (4)	−0.0027 (3)	0.0068 (3)	0.0023 (3)
Cu4	0.0415 (5)	0.0386 (5)	0.0389 (5)	0.0043 (4)	0.0028 (4)	0.0039 (4)
O1	0.031 (2)	0.040 (2)	0.056 (3)	−0.0086 (19)	0.018 (2)	−0.003 (2)
N4	0.032 (3)	0.040 (3)	0.024 (3)	0.001 (2)	0.004 (3)	0.001 (2)
C5	0.044 (2)	0.049 (2)	0.0295 (18)	0.0005 (15)	0.0043 (15)	0.0014 (15)
N2	0.031 (3)	0.039 (3)	0.029 (3)	0.002 (2)	0.018 (3)	−0.007 (2)
N1	0.025 (2)	0.029 (2)	0.026 (2)	−0.0008 (18)	0.009 (2)	−0.004 (2)
O2	0.032 (2)	0.049 (3)	0.044 (3)	−0.0079 (19)	0.008 (2)	0.003 (2)
N3	0.028 (2)	0.033 (2)	0.023 (2)	−0.0015 (19)	0.011 (2)	0.0003 (19)
C14	0.023 (3)	0.023 (2)	0.012 (2)	0.002 (2)	0.0084 (19)	0.0002 (19)
C15	0.033 (3)	0.029 (3)	0.030 (3)	−0.002 (2)	0.015 (3)	0.000 (2)
C4	0.033 (2)	0.052 (2)	0.046 (2)	−0.0002 (17)	0.0177 (18)	−0.0032 (18)
C3	0.029 (4)	0.047 (4)	0.045 (5)	−0.003 (3)	0.003 (3)	0.003 (3)
C13	0.036 (3)	0.045 (3)	0.042 (3)	−0.006 (3)	0.034 (3)	−0.001 (3)
C12	0.023 (3)	0.047 (4)	0.039 (4)	−0.002 (3)	0.009 (3)	0.002 (3)
C1	0.028 (3)	0.050 (4)	0.029 (3)	−0.003 (3)	0.015 (2)	−0.006 (3)
C6	0.049 (4)	0.032 (3)	0.026 (3)	0.000 (3)	0.024 (3)	−0.002 (2)
C17	0.044 (2)	0.049 (2)	0.0295 (18)	0.0005 (15)	0.0043 (15)	0.0014 (15)
C8	0.033 (2)	0.052 (2)	0.046 (2)	−0.0002 (17)	0.0177 (18)	−0.0032 (18)
C11	0.027 (3)	0.045 (4)	0.037 (3)	0.004 (3)	0.004 (2)	0.000 (3)
C9	0.031 (4)	0.079 (6)	0.096 (7)	0.001 (4)	0.037 (4)	−0.027 (5)
C2	0.033 (2)	0.052 (2)	0.046 (2)	−0.0002 (17)	0.0177 (18)	−0.0032 (18)
C18	0.044 (2)	0.049 (2)	0.0295 (18)	0.0005 (15)	0.0043 (15)	0.0014 (15)
C7	0.044 (2)	0.049 (2)	0.0295 (18)	0.0005 (15)	0.0043 (15)	0.0014 (15)
C10	0.034 (3)	0.041 (3)	0.030 (3)	0.002 (3)	0.014 (3)	0.005 (3)
C16	0.061 (5)	0.065 (5)	0.023 (3)	−0.006 (4)	0.015 (3)	0.009 (3)
Cu1A	0.058 (11)	0.046 (9)	0.068 (12)	−0.003 (8)	0.039 (10)	−0.004 (8)
Br1A	0.069 (10)	0.064 (12)	0.054 (9)	0.000 (8)	0.034 (8)	−0.002 (7)
Cu3A	0.0419 (5)	0.0373 (5)	0.0589 (6)	0.0010 (4)	0.0271 (5)	−0.0042 (4)
Br2A	0.071 (10)	0.086 (14)	0.036 (8)	0.027 (9)	0.037 (7)	0.009 (8)
Br6A	0.058 (8)	0.065 (11)	0.051 (8)	−0.011 (9)	0.025 (7)	−0.010 (8)
Cu2A	0.081 (12)	0.049 (9)	0.063 (10)	−0.005 (7)	0.036 (9)	−0.006 (6)
Br5A	0.057 (9)	0.104 (15)	0.025 (7)	0.025 (11)	0.011 (6)	0.026 (9)
Cu4A	0.0415 (5)	0.0386 (5)	0.0389 (5)	0.0043 (4)	0.0028 (4)	0.0039 (4)

Geometric parameters (Å, º)

Br2—Cu1^i	2.6540 (11)	C14—C15	1.487 (9)
Br2—Cu3	2.4046 (12)	C14—C13	1.390 (8)
Br1—Cu1	2.3739 (10)	C15—C16	1.485 (9)
Br1—Cu3	2.5098 (11)	C4—H4	0.9300
Br4—Cu3	2.6469 (12)	C4—C3	1.400 (10)
Br4—Cu4	2.3990 (12)	C3—H3	0.9300
Br4—Cu3A	2.634 (17)	C3—C2	1.374 (10)
Br4—Cu4A	2.357 (16)	C13—H13	0.9300
Br3—Cu3	2.3987 (11)	C13—C12	1.378 (9)
Br3—Cu4^ii	2.6288 (12)	C12—H12	0.9300
Br3—Cu3A	2.336 (16)	C12—C11	1.359 (10)
Br3—Cu4A^ii	2.676 (18)	C1—H1A	0.9300
Cu1—O1	2.008 (4)	C1—C2	1.381 (9)
Cu1—N2	1.964 (5)	C6—C7	1.490 (9)
Cu1—N1	1.992 (5)	C17—H17A	0.9700
Br6—Cu2	2.3878 (11)	C17—H17B	0.9700
Br6—Cu4^iii	2.5359 (14)	C17—C18	1.512 (11)
Br5—Cu2	2.6357 (11)	C8—H8A	0.9700
Br5—Cu4	2.4092 (14)	C8—H8B	0.9700
Cu2—N4	1.968 (5)	C8—C9	1.455 (12)
Cu2—O2	2.011 (4)	C11—H11	0.9300
Cu2—N3	1.993 (5)	C11—C10	1.387 (8)
O1—H1	0.8200	C9—H9	0.9300
O1—C9	1.448 (10)	C2—H2A	0.9300
N4—C15	1.284 (8)	C18—H18A	0.9700
N4—C17	1.462 (9)	C18—H18B	0.9700
N4—Cu2A	2.016 (15)	C7—H7A	0.9600
C5—N1	1.372 (9)	C7—H7B	0.9600
C5—C4	1.364 (10)	C7—H7C	0.9600
C5—C6	1.479 (11)	C10—H10	0.9300
N2—C6	1.255 (8)	C16—H16A	0.9600
N2—C8	1.473 (8)	C16—H16B	0.9600
N2—Cu1A	1.957 (18)	C16—H16C	0.9600
N1—C1	1.338 (7)	Cu1A—Br1A	2.67 (3)
N1—Cu1A	2.296 (18)	Cu1A—Br2A^iii	2.34 (3)
O2—H2	0.8200	Br1A—Cu3A	2.40 (2)
O2—C18	1.443 (8)	Cu3A—Br2A	2.62 (2)
O2—Cu2A	2.413 (16)	Br6A—Cu2A	2.77 (2)
N3—C14	1.348 (7)	Br6A—Cu4A^iii	2.31 (2)
N3—C10	1.351 (7)	Cu2A—Br5A	2.23 (3)
N3—Cu2A	2.284 (17)	Br5A—Cu4A	2.71 (3)
Cu3—Br2—Cu1^i	129.92 (4)	C12—C13—C14	119.0 (5)
Cu1—Br1—Cu3	115.93 (4)	C12—C13—H13	120.5
Cu4—Br4—Cu3	167.35 (5)	C13—C12—H12	120.3
Cu4A—Br4—Cu3A	164.9 (6)	C11—C12—C13	119.5 (6)
Cu3—Br3—Cu4^ii	159.31 (4)	C11—C12—H12	120.3
Cu3—Br3—Cu4A^ii	167.0 (3)	N1—C1—H1A	118.8
Cu4^ii—Br3—Cu4A^ii	17.7 (4)	N1—C1—C2	122.5 (6)
Cu3A—Br3—Cu4A^ii	154.2 (5)	C2—C1—H1A	118.8
Br1—Cu1—Br2^iii	99.38 (3)	C5—C6—C7	118.4 (6)
O1—Cu1—Br2^iii	97.34 (14)	N2—C6—C5	115.2 (6)
O1—Cu1—Br1	95.65 (14)	N2—C6—C7	126.4 (6)
N2—Cu1—Br2^iii	104.87 (16)	N4—C17—H17A	110.5
N2—Cu1—Br1	155.74 (16)	N4—C17—H17B	110.5
N2—Cu1—O1	81.9 (2)	N4—C17—C18	106.3 (6)
N2—Cu1—N1	80.5 (2)	H17A—C17—H17B	108.7
N1—Cu1—Br2^iii	92.51 (13)	C18—C17—H17A	110.5
N1—Cu1—Br1	98.12 (13)	C18—C17—H17B	110.5
N1—Cu1—O1	161.5 (2)	N2—C8—H8A	109.8
Cu2—Br6—Cu4^iii	116.82 (5)	N2—C8—H8B	109.8
Cu4—Br5—Cu2	131.12 (6)	H8A—C8—H8B	108.3
Br2—Cu3—Br1	104.21 (4)	C9—C8—N2	109.3 (6)
Br2—Cu3—Br4	106.85 (4)	C9—C8—H8A	109.8
Br1—Cu3—Br4	95.25 (4)	C9—C8—H8B	109.8
Br3—Cu3—Br2	124.47 (5)	C12—C11—H11	120.0
Br3—Cu3—Br1	111.79 (4)	C12—C11—C10	119.9 (6)
Br3—Cu3—Br4	110.23 (4)	C10—C11—H11	120.0
Br6—Cu2—Br5	99.05 (4)	O1—C9—C8	112.2 (6)
N4—Cu2—Br6	152.70 (16)	O1—C9—H9	123.9
N4—Cu2—Br5	108.25 (16)	C8—C9—H9	123.9
N4—Cu2—O2	81.6 (2)	C3—C2—C1	118.8 (6)
N4—Cu2—N3	80.6 (2)	C3—C2—H2A	120.6
O2—Cu2—Br6	96.41 (13)	C1—C2—H2A	120.6
O2—Cu2—Br5	95.09 (14)	O2—C18—C17	110.1 (6)
N3—Cu2—Br6	97.65 (14)	O2—C18—H18A	109.6
N3—Cu2—Br5	94.12 (14)	O2—C18—H18B	109.6
N3—Cu2—O2	161.8 (2)	C17—C18—H18A	109.6
Br4—Cu4—Br3^iv	112.04 (5)	C17—C18—H18B	109.6
Br4—Cu4—Br6^i	107.88 (5)	H18A—C18—H18B	108.1
Br4—Cu4—Br5	126.29 (6)	C6—C7—H7A	109.5
Br6^i—Cu4—Br3^iv	94.15 (4)	C6—C7—H7B	109.5
Br5—Cu4—Br3^iv	107.49 (5)	C6—C7—H7C	109.5
Br5—Cu4—Br6^i	103.88 (5)	H7A—C7—H7B	109.5
Cu1—O1—H1	118.7	H7A—C7—H7C	109.5
C9—O1—Cu1	111.4 (4)	H7B—C7—H7C	109.5
C9—O1—H1	109.5	N3—C10—C11	121.1 (6)
C15—N4—Cu2	117.6 (5)	N3—C10—H10	119.5
C15—N4—C17	125.6 (6)	C11—C10—H10	119.5
C15—N4—Cu2A	111.8 (7)	C15—C16—H16A	109.5
C17—N4—Cu2	116.5 (5)	C15—C16—H16B	109.5
C17—N4—Cu2A	114.4 (7)	C15—C16—H16C	109.5
N1—C5—C6	113.1 (6)	H16A—C16—H16B	109.5
C4—C5—N1	121.0 (7)	H16A—C16—H16C	109.5
C4—C5—C6	125.9 (7)	H16B—C16—H16C	109.5
C6—N2—Cu1	117.8 (4)	N2—Cu1A—N1	73.4 (6)
C6—N2—C8	126.1 (5)	N2—Cu1A—Br1A	102.5 (8)
C6—N2—Cu1A	109.5 (7)	N2—Cu1A—Br2A^iii	158.1 (10)
C8—N2—Cu1	115.6 (4)	N1—Cu1A—Br1A	71.7 (6)
C8—N2—Cu1A	114.9 (7)	N1—Cu1A—Br2A^iii	117.1 (8)
C5—N1—Cu1	113.3 (4)	Br2A^iii—Cu1A—Br1A	99.2 (8)
C5—N1—Cu1A	96.5 (6)	Cu3A—Br1A—Cu1A	132.4 (8)
C1—N1—Cu1	127.7 (4)	Br3—Cu3A—Br4	112.7 (6)
C1—N1—C5	118.9 (5)	Br3—Cu3A—Br1A	124.7 (8)
C1—N1—Cu1A	129.7 (6)	Br3—Cu3A—Br2A	108.1 (7)
Cu2—O2—H2	121.1	Br1A—Cu3A—Br4	113.7 (8)
C18—O2—Cu2	110.1 (4)	Br1A—Cu3A—Br2A	101.9 (8)
C18—O2—H2	109.5	Br2A—Cu3A—Br4	88.0 (6)
C18—O2—Cu2A	89.2 (5)	Cu1A^i—Br2A—Cu3A	116.4 (7)
C14—N3—Cu2	113.5 (4)	Cu4A^iii—Br6A—Cu2A	127.7 (9)
C14—N3—C10	119.0 (5)	N4—Cu2A—O2	71.2 (5)
C14—N3—Cu2A	100.5 (5)	N4—Cu2A—N3	72.9 (5)
C10—N3—Cu2	127.4 (4)	N4—Cu2A—Br6A	104.3 (6)
C10—N3—Cu2A	127.8 (5)	N4—Cu2A—Br5A	158.7 (9)
N3—C14—C15	114.5 (5)	O2—Cu2A—Br6A	67.2 (5)
N3—C14—C13	121.4 (5)	N3—Cu2A—O2	114.6 (6)
C13—C14—C15	124.0 (5)	N3—Cu2A—Br6A	71.5 (5)
N4—C15—C14	113.6 (6)	Br5A—Cu2A—O2	119.2 (9)
N4—C15—C16	125.4 (6)	Br5A—Cu2A—N3	114.0 (8)
C16—C15—C14	121.0 (6)	Br5A—Cu2A—Br6A	97.0 (8)
C5—C4—H4	120.2	Cu2A—Br5A—Cu4A	116.3 (8)
C5—C4—C3	119.7 (7)	Br4—Cu4A—Br3^iv	111.8 (6)
C3—C4—H4	120.2	Br4—Cu4A—Br5A	111.4 (8)
C4—C3—H3	120.4	Br3^iv—Cu4A—Br5A	89.4 (6)
C2—C3—C4	119.1 (7)	Br6A^i—Cu4A—Br4	123.9 (9)
C2—C3—H3	120.4	Br6A^i—Cu4A—Br5A	103.4 (8)
C14—C13—H13	120.5
Cu1—O1—C9—C8	−32.9 (9)	C4—C5—C6—N2	175.6 (7)
Cu1—N2—C6—C5	4.5 (8)	C4—C5—C6—C7	−4.4 (11)
Cu1—N2—C6—C7	−175.5 (5)	C4—C3—C2—C1	−0.5 (11)
Cu1—N2—C8—C9	−17.9 (8)	C13—C14—C15—N4	177.2 (5)
Cu1—N1—C1—C2	176.2 (5)	C13—C14—C15—C16	−4.4 (9)
Cu2—N4—C15—C14	3.6 (7)	C13—C12—C11—C10	1.6 (10)
Cu2—N4—C15—C16	−174.7 (5)	C12—C11—C10—N3	0.0 (10)
Cu2—N4—C17—C18	−22.2 (7)	C6—C5—N1—Cu1	3.6 (7)
Cu2—O2—C18—C17	−41.0 (6)	C6—C5—N1—C1	−179.3 (5)
Cu2—N3—C14—C15	4.2 (6)	C6—C5—N1—Cu1A	38.0 (7)
Cu2—N3—C14—C13	−178.1 (4)	C6—C5—C4—C3	179.4 (7)
Cu2—N3—C10—C11	176.0 (4)	C6—N2—C8—C9	170.8 (7)
N4—C17—C18—O2	40.2 (7)	C17—N4—C15—C14	177.2 (6)
C5—N1—C1—C2	−0.4 (9)	C17—N4—C15—C16	−1.0 (10)
C5—C4—C3—C2	0.0 (11)	C8—N2—C6—C5	175.7 (6)
N2—C8—C9—O1	32.5 (10)	C8—N2—C6—C7	−4.3 (11)
N1—C5—C4—C3	0.4 (11)	C10—N3—C14—C15	−179.1 (5)
N1—C5—C6—N2	−5.4 (9)	C10—N3—C14—C13	−1.4 (8)
N1—C5—C6—C7	174.6 (6)	Cu1A—N2—C6—C5	−40.2 (8)
N1—C1—C2—C3	0.8 (10)	Cu1A—N2—C6—C7	139.8 (8)
N3—C14—C15—N4	−5.1 (7)	Cu1A—N2—C8—C9	28.3 (9)
N3—C14—C15—C16	173.2 (6)	Cu1A—N1—C1—C2	128.3 (8)
N3—C14—C13—C12	3.0 (9)	Cu2A—N4—C15—C14	−36.4 (7)
C14—N3—C10—C11	−0.1 (9)	Cu2A—N4—C15—C16	145.4 (7)
C14—C13—C12—C11	−3.1 (10)	Cu2A—N4—C17—C18	18.5 (8)
C15—N4—C17—C18	164.1 (6)	Cu2A—O2—C18—C17	−64.7 (6)
C15—C14—C13—C12	−179.5 (6)	Cu2A—N3—C14—C15	36.2 (6)
C4—C5—N1—Cu1	−177.3 (5)	Cu2A—N3—C14—C13	−146.1 (6)
C4—C5—N1—C1	−0.2 (10)	Cu2A—N3—C10—C11	133.8 (7)
C4—C5—N1—Cu1A	−142.9 (7)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···Br3	0.82	2.43	3.240 (4)	172
O2—H2···Br4^iii	0.82	2.40	3.206 (4)	167
C4—H4···Br2^v	0.93	3.04	3.915 (8)	158
C13—H13···Br5^vi	0.93	2.99	3.843 (6)	154
C1—H1A···Br1	0.93	2.96	3.477 (6)	117
C11—H11···Br3^vi	0.93	2.95	3.670 (6)	136
C11—H11···Br5^vii	0.93	3.05	3.790 (7)	138
C9—H9···Br5^viii	0.93	2.98	3.888 (8)	166
C2—H2A···Br2^ix	0.93	3.09	3.818 (7)	136
C2—H2A···Br4^ix	0.93	2.91	3.658 (7)	139
C18—H18A···Br2^iii	0.97	3.02	3.965 (7)	164
C18—H18B···Br4	0.97	3.13	4.086 (7)	169
C7—H7C···Br1^viii	0.96	2.99	3.621 (7)	125
C10—H10···Br6	0.93	2.98	3.482 (6)	115
C16—H16A···Br6^viii	0.96	2.92	3.636 (7)	133

Symmetry codes: (iii) x, y+1, z; (v) −x+2, −y+1, −z+2; (vi) −x+1, −y+1, −z+1; (vii) −x+1, y+1/2, −z+1/2; (viii) x, −y+3/2, z+1/2; (ix) −x+2, y+1/2, −z+3/2.