A dinuclear nickel(II) complex of the ligand 2,6-bis[2-(di­methyl­amino)ethyliminomethyl]-4-methyl­phenol

In the title complex, triaqua{μ-2,6-bis[2-(dimethylamino)ethyliminomethyl]-4-methylphenolato}-μ-bromo-bromodinickel(II) bromide monohydrate acetonitrile disolvate, [Ni₂Br₂(C₁₇H₂₇N₄O)(H₂O)₃]Br·H₂O·2C₂H₃N, the Ni^II atoms are octahedrally coordinated and the donor groups are different (N₂O₃Br and N₂O₂Br₂), with an intermetallic separation of 3.2346 (9) Å.

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.041
• wR factor = 0.087
• Data-to-parameter ratio = 16.3

checkCIF/PLATON results

No syntax errors found



Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.102
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.10
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        C21
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          8

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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
   3 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: SMART (Bruker, 1997); cell refinement: SMART (Bruker, 1997); data reduction: SHELXTL (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

(I)

Crystal data

[Ni2Br2(C17H27N4O)(H2O)3]Br·H2O·2C2H3N	F(000) = 1640
Mr = 814.75	Dx = 1.739 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.5662 (13) Å	Cell parameters from 4188 reflections
b = 11.8911 (15) Å	θ = 4.5–55.9°
c = 25.158 (3) Å	µ = 5.1 mm^−1
β = 100.039 (2)°	T = 150 K
V = 3112.5 (7) Å^3	Block, green
Z = 4	0.25 × 0.18 × 0.1 mm

Data collection

CCD area detector diffractometer	3844 reflections with I > 2σ(I)
ω scans	Rint = 0.102
Absorption correction: multi-scan SADABS	θmax = 25°, θmin = 1.6°
Tmin = 0.344, Tmax = 0.600	h = −12→12
14837 measured reflections	k = −13→14
5468 independent reflections	l = −14→29

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F^2 > 2σ(F^2)] = 0.041	w = 1/[σ^2(Fo^2) + (0.0396P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.088	(Δ/σ)max = 0.004
S = 0.87	Δρmax = 0.79 e Å^−3
5468 reflections	Δρmin = −0.68 e Å^−3
336 parameters

Special details

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. Hydrogen atoms for the solvent water molecules were calculated by difference Fourier and the H atoms for acetonitrile solvent molecules were calculated using SHELXTL defaults and refined in riding mode.

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

	x	y	z	Uiso*/Ueq
Ni1	0.81815 (6)	0.43356 (5)	0.14829 (2)	0.01980 (15)
Ni2	1.07830 (6)	0.57845 (5)	0.15104 (2)	0.02007 (16)
N1	0.7472 (4)	0.3633 (3)	0.20799 (15)	0.0203 (9)
N2	0.6588 (4)	0.3550 (3)	0.09806 (15)	0.0246 (10)
N3	1.2025 (4)	0.6669 (3)	0.10632 (15)	0.0264 (10)
N4	1.1978 (4)	0.6352 (3)	0.21460 (15)	0.0210 (9)
O1	0.9667 (3)	0.5039 (2)	0.20028 (11)	0.0203 (7)
Br1	0.68349 (5)	0.62015 (4)	0.158445 (19)	0.02665 (14)
Br2	0.40820 (5)	0.41207 (4)	0.26204 (2)	0.02823 (14)
Br3	0.92346 (5)	0.50352 (4)	0.071415 (18)	0.02464 (13)
C1	0.9834 (5)	0.5060 (4)	0.25366 (17)	0.0200 (11)
C2	1.0874 (5)	0.5646 (4)	0.28553 (18)	0.0201 (11)
C3	1.1014 (5)	0.5627 (4)	0.34183 (18)	0.0252 (12)
H3A	1.1719	0.6021	0.3621	0.030*
C4	1.0187 (5)	0.5069 (4)	0.36972 (18)	0.0265 (12)
C5	0.9178 (5)	0.4516 (4)	0.33876 (18)	0.0243 (12)
H5A	0.8589	0.4128	0.3567	0.029*
C6	0.8968 (5)	0.4489 (4)	0.28251 (18)	0.0204 (11)
C7	0.7861 (5)	0.3812 (4)	0.25804 (18)	0.0203 (11)
H7A	0.7380	0.3468	0.2822	0.024*
C8	0.6403 (5)	0.2865 (4)	0.18958 (18)	0.0255 (12)
H8A	0.5827	0.2826	0.2166	0.031*
H8B	0.6732	0.2100	0.1845	0.031*
C9	0.5680 (5)	0.3315 (4)	0.13649 (19)	0.0272 (12)
H9A	0.5030	0.2758	0.1203	0.033*
H9B	0.5226	0.4016	0.1431	0.033*
C10	1.2670 (5)	0.7499 (4)	0.14618 (18)	0.0275 (12)
H10A	1.2072	0.8124	0.1498	0.033*
H10B	1.3429	0.7816	0.1333	0.033*
C11	1.3087 (5)	0.6947 (4)	0.20040 (19)	0.0256 (12)
H11A	1.3796	0.6411	0.1986	0.031*
H11B	1.3398	0.7522	0.2280	0.031*
C12	1.1860 (5)	0.6243 (4)	0.26417 (18)	0.0225 (11)
H12A	1.2499	0.6599	0.2899	0.027*
C13	0.6992 (5)	0.2486 (4)	0.07548 (19)	0.0328 (13)
H13A	0.6249	0.2133	0.0529	0.049*
H13B	0.7343	0.1977	0.1050	0.049*
H13C	0.7652	0.2645	0.0535	0.049*
C14	0.5935 (5)	0.4243 (5)	0.05395 (18)	0.0332 (13)
H14A	0.5218	0.3820	0.0333	0.050*
H14B	0.6541	0.4451	0.0302	0.050*
H14C	0.5606	0.4925	0.0687	0.050*
C15	1.1333 (5)	0.7290 (4)	0.05864 (19)	0.0333 (13)
H15A	1.1957	0.7664	0.0400	0.050*
H15B	1.0766	0.7853	0.0706	0.050*
H15C	1.0819	0.6760	0.0339	0.050*
C16	1.2985 (5)	0.5928 (4)	0.0880 (2)	0.0347 (14)
H16A	1.3524	0.6372	0.0678	0.052*
H16B	1.2543	0.5339	0.0645	0.052*
H16C	1.3524	0.5582	0.1193	0.052*
C17	1.0411 (6)	0.5036 (4)	0.43073 (18)	0.0343 (13)
H17A	0.9728	0.4597	0.4427	0.052*
H17B	1.0405	0.5803	0.4448	0.052*
H17C	1.1245	0.4685	0.4442	0.052*
N5	0.2358 (5)	0.2975 (4)	0.06533 (19)	0.0457 (13)
C18	0.2516 (5)	0.2751 (4)	0.0233 (2)	0.0331 (13)
C19	0.2753 (6)	0.2474 (5)	−0.03043 (19)	0.0415 (15)
H19A	0.2929	0.3165	−0.0491	0.062*
H19B	0.1994	0.2102	−0.0509	0.062*
H19C	0.3495	0.1969	−0.0275	0.062*
N6	0.8338 (7)	0.0137 (5)	0.0290 (3)	0.0721 (18)
C21	0.9275 (7)	0.0317 (5)	0.0569 (3)	0.0446 (16)
C20	1.0464 (6)	0.0526 (5)	0.0928 (2)	0.0497 (17)
H20A	1.0549	0.1334	0.1005	0.074*
H20B	1.1183	0.0275	0.0759	0.074*
H20C	1.0472	0.0113	0.1266	0.074*
O1W	0.8943 (3)	0.1239 (3)	0.21606 (14)	0.0350 (9)
H1WA	0.9438	0.0710	0.2295	0.042*
H1WB	0.8755	0.1293	0.2475	0.042*
O2W	0.9432 (3)	0.2916 (3)	0.14973 (12)	0.0250 (8)
H2WA	1.0184	0.3177	0.1599	0.030*
H2WB	0.9200	0.2395	0.1691	0.030*
O3W	1.1767 (3)	0.4181 (3)	0.15724 (12)	0.0253 (8)
H3WA	1.1940	0.3825	0.1301	0.030*
H3WB	1.2367	0.4166	0.1845	0.030*
O4W	0.9652 (3)	0.7244 (2)	0.15005 (12)	0.0237 (8)
H4WA	0.9985	0.7733	0.1729	0.028*
H4WB	0.8919	0.6972	0.1521	0.028*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ni1	0.0218 (4)	0.0167 (3)	0.0219 (3)	−0.0015 (3)	0.0064 (3)	−0.0012 (2)
Ni2	0.0213 (4)	0.0168 (3)	0.0233 (3)	−0.0006 (3)	0.0070 (3)	−0.0005 (2)
N1	0.023 (2)	0.012 (2)	0.027 (2)	−0.0014 (18)	0.0090 (18)	0.0015 (16)
N2	0.025 (3)	0.024 (2)	0.025 (2)	0.000 (2)	0.0076 (19)	−0.0046 (17)
N3	0.027 (3)	0.024 (2)	0.030 (2)	−0.004 (2)	0.010 (2)	−0.0013 (18)
N4	0.019 (2)	0.014 (2)	0.030 (2)	0.0000 (18)	0.0048 (18)	0.0001 (16)
O1	0.022 (2)	0.0182 (17)	0.0220 (17)	−0.0030 (14)	0.0070 (14)	−0.0001 (13)
Br1	0.0264 (3)	0.0205 (3)	0.0343 (3)	0.0011 (2)	0.0088 (2)	−0.0015 (2)
Br2	0.0293 (3)	0.0199 (3)	0.0354 (3)	0.0011 (2)	0.0057 (2)	0.0046 (2)
Br3	0.0291 (3)	0.0235 (3)	0.0224 (2)	−0.0031 (2)	0.0075 (2)	−0.0009 (2)
C1	0.023 (3)	0.013 (2)	0.024 (2)	0.005 (2)	0.005 (2)	−0.0007 (19)
C2	0.019 (3)	0.018 (3)	0.023 (2)	0.005 (2)	0.003 (2)	−0.002 (2)
C3	0.025 (3)	0.020 (3)	0.029 (3)	0.005 (2)	0.001 (2)	−0.009 (2)
C4	0.032 (3)	0.022 (3)	0.026 (3)	0.005 (2)	0.007 (2)	−0.004 (2)
C5	0.028 (3)	0.022 (3)	0.025 (3)	0.006 (2)	0.010 (2)	0.003 (2)
C6	0.020 (3)	0.016 (3)	0.026 (3)	0.000 (2)	0.007 (2)	−0.0019 (19)
C7	0.022 (3)	0.017 (2)	0.024 (3)	0.004 (2)	0.009 (2)	0.006 (2)
C8	0.024 (3)	0.022 (3)	0.032 (3)	−0.006 (2)	0.009 (2)	0.002 (2)
C9	0.027 (3)	0.022 (3)	0.034 (3)	−0.006 (2)	0.007 (2)	−0.001 (2)
C10	0.029 (3)	0.024 (3)	0.032 (3)	−0.007 (2)	0.015 (2)	0.000 (2)
C11	0.020 (3)	0.025 (3)	0.032 (3)	−0.007 (2)	0.005 (2)	−0.002 (2)
C12	0.021 (3)	0.017 (3)	0.028 (3)	0.002 (2)	−0.001 (2)	−0.004 (2)
C13	0.036 (3)	0.027 (3)	0.036 (3)	−0.006 (3)	0.008 (3)	−0.012 (2)
C14	0.036 (4)	0.039 (3)	0.023 (3)	−0.006 (3)	−0.001 (2)	0.002 (2)
C15	0.040 (4)	0.029 (3)	0.034 (3)	−0.006 (3)	0.014 (3)	0.005 (2)
C16	0.034 (4)	0.029 (3)	0.047 (3)	−0.003 (3)	0.023 (3)	−0.005 (2)
C17	0.044 (4)	0.037 (3)	0.022 (3)	0.001 (3)	0.003 (2)	−0.001 (2)
N5	0.056 (4)	0.042 (3)	0.042 (3)	−0.001 (3)	0.016 (3)	−0.009 (2)
C18	0.035 (4)	0.025 (3)	0.037 (3)	0.001 (3)	−0.001 (3)	0.002 (2)
C19	0.054 (4)	0.041 (4)	0.029 (3)	0.004 (3)	0.007 (3)	0.001 (2)
N6	0.065 (5)	0.059 (4)	0.087 (5)	0.004 (4)	−0.003 (4)	−0.012 (3)
C21	0.048 (5)	0.037 (4)	0.048 (4)	0.004 (3)	0.007 (3)	−0.005 (3)
C20	0.062 (5)	0.043 (4)	0.044 (4)	0.001 (3)	0.010 (3)	−0.008 (3)
O1W	0.038 (2)	0.027 (2)	0.040 (2)	0.0096 (18)	0.0104 (18)	0.0104 (16)
O2W	0.026 (2)	0.0182 (18)	0.0331 (19)	−0.0003 (15)	0.0113 (16)	−0.0008 (14)
O3W	0.024 (2)	0.0252 (18)	0.0266 (18)	0.0031 (16)	0.0059 (15)	−0.0036 (14)
O4W	0.024 (2)	0.0186 (17)	0.0295 (18)	−0.0050 (15)	0.0067 (15)	−0.0049 (14)

Geometric parameters (Å, º)

Ni1—N1	1.977 (3)	C9—H9B	0.9900
Ni1—O1	2.039 (3)	C10—C11	1.509 (6)
Ni1—N2	2.136 (4)	C10—H10A	0.9900
Ni1—O2W	2.140 (3)	C10—H10B	0.9900
Ni1—Br3	2.5339 (7)	C11—H11A	0.9900
Ni1—Br1	2.6720 (8)	C11—H11B	0.9900
Ni1—Ni2	3.2346 (9)	C12—H12A	0.9500
Ni2—N4	1.976 (4)	C13—H13A	0.9800
Ni2—O1	2.055 (3)	C13—H13B	0.9800
Ni2—O4W	2.105 (3)	C13—H13C	0.9800
Ni2—N3	2.147 (4)	C14—H14A	0.9800
Ni2—O3W	2.164 (3)	C14—H14B	0.9800
Ni2—Br3	2.5181 (8)	C14—H14C	0.9800
N1—C7	1.272 (5)	C15—H15A	0.9800
N1—C8	1.463 (6)	C15—H15B	0.9800
N2—C14	1.457 (6)	C15—H15C	0.9800
N2—C13	1.479 (6)	C16—H16A	0.9800
N2—C9	1.502 (5)	C16—H16B	0.9800
N3—C16	1.477 (6)	C16—H16C	0.9800
N3—C10	1.485 (6)	C17—H17A	0.9800
N3—C15	1.488 (6)	C17—H17B	0.9800
N4—C12	1.281 (5)	C17—H17C	0.9800
N4—C11	1.466 (6)	N5—C18	1.131 (6)
O1—C1	1.324 (5)	C18—C19	1.454 (7)
C1—C2	1.424 (7)	C19—H19A	0.9800
C1—C6	1.434 (6)	C19—H19B	0.9800
C2—C3	1.398 (6)	C19—H19C	0.9800
C2—C12	1.440 (6)	N6—C21	1.129 (8)
C3—C4	1.382 (7)	C21—C20	1.436 (9)
C3—H3A	0.9500	C20—H20A	0.9800
C4—C5	1.374 (7)	C20—H20B	0.9800
C4—C17	1.512 (6)	C20—H20C	0.9800
C5—C6	1.394 (6)	O1W—H1WA	0.8499
C5—H5A	0.9500	O1W—H1WB	0.8501
C6—C7	1.464 (7)	O2W—H2WA	0.8500
C7—H7A	0.9500	O2W—H2WB	0.8500
C8—C9	1.516 (7)	O3W—H3WA	0.8499
C8—H8A	0.9900	O3W—H3WB	0.8499
C8—H8B	0.9900	O4W—H4WA	0.8500
C9—H9A	0.9900	O4W—H4WB	0.8499
N1—Ni1—O1	92.14 (14)	N1—C7—H7A	116.4
N1—Ni1—N2	84.28 (15)	C6—C7—H7A	116.4
O1—Ni1—N2	176.42 (13)	N1—C8—C9	107.5 (4)
N1—Ni1—O2W	88.18 (13)	N1—C8—H8A	110.2
O1—Ni1—O2W	84.78 (12)	C9—C8—H8A	110.2
N2—Ni1—O2W	94.89 (14)	N1—C8—H8B	110.2
N1—Ni1—Br3	173.56 (11)	C9—C8—H8B	110.2
O1—Ni1—Br3	87.92 (8)	H8A—C8—H8B	108.5
N2—Ni1—Br3	95.61 (10)	N2—C9—C8	110.6 (4)
O2W—Ni1—Br3	85.41 (8)	N2—C9—H9A	109.5
N1—Ni1—Br1	89.98 (11)	C8—C9—H9A	109.5
O1—Ni1—Br1	87.77 (9)	N2—C9—H9B	109.5
N2—Ni1—Br1	92.41 (11)	C8—C9—H9B	109.5
O2W—Ni1—Br1	172.26 (9)	H9A—C9—H9B	108.1
Br3—Ni1—Br1	96.45 (2)	N3—C10—C11	110.4 (4)
N1—Ni1—Ni2	129.96 (12)	N3—C10—H10A	109.6
O1—Ni1—Ni2	37.97 (8)	C11—C10—H10A	109.6
N2—Ni1—Ni2	145.58 (10)	N3—C10—H10B	109.6
O2W—Ni1—Ni2	84.27 (9)	C11—C10—H10B	109.6
Br3—Ni1—Ni2	49.974 (19)	H10A—C10—H10B	108.1
Br1—Ni1—Ni2	91.17 (2)	N4—C11—C10	108.1 (4)
N4—Ni2—O1	90.72 (14)	N4—C11—H11A	110.1
N4—Ni2—O4W	90.51 (14)	C10—C11—H11A	110.1
O1—Ni2—O4W	88.77 (12)	N4—C11—H11B	110.1
N4—Ni2—N3	83.91 (15)	C10—C11—H11B	110.1
O1—Ni2—N3	174.27 (14)	H11A—C11—H11B	108.4
O4W—Ni2—N3	89.28 (14)	N4—C12—C2	127.8 (5)
N4—Ni2—O3W	90.66 (14)	N4—C12—H12A	116.1
O1—Ni2—O3W	84.01 (12)	C2—C12—H12A	116.1
O4W—Ni2—O3W	172.71 (11)	N2—C13—H13A	109.5
N3—Ni2—O3W	98.01 (14)	N2—C13—H13B	109.5
N4—Ni2—Br3	178.72 (11)	H13A—C13—H13B	109.5
O1—Ni2—Br3	88.01 (9)	N2—C13—H13C	109.5
O4W—Ni2—Br3	89.64 (9)	H13A—C13—H13C	109.5
N3—Ni2—Br3	97.37 (11)	H13B—C13—H13C	109.5
O3W—Ni2—Br3	89.03 (9)	N2—C14—H14A	109.5
N4—Ni2—Ni1	128.33 (11)	N2—C14—H14B	109.5
O1—Ni2—Ni1	37.63 (9)	H14A—C14—H14B	109.5
O4W—Ni2—Ni1	87.74 (9)	N2—C14—H14C	109.5
N3—Ni2—Ni1	147.63 (12)	H14A—C14—H14C	109.5
O3W—Ni2—Ni1	85.88 (9)	H14B—C14—H14C	109.5
Br3—Ni2—Ni1	50.403 (18)	N3—C15—H15A	109.5
C7—N1—C8	121.1 (4)	N3—C15—H15B	109.5
C7—N1—Ni1	125.5 (3)	H15A—C15—H15B	109.5
C8—N1—Ni1	113.4 (3)	N3—C15—H15C	109.5
C14—N2—C13	108.8 (4)	H15A—C15—H15C	109.5
C14—N2—C9	108.9 (4)	H15B—C15—H15C	109.5
C13—N2—C9	110.4 (4)	N3—C16—H16A	109.5
C14—N2—Ni1	115.0 (3)	N3—C16—H16B	109.5
C13—N2—Ni1	110.5 (3)	H16A—C16—H16B	109.5
C9—N2—Ni1	103.1 (3)	N3—C16—H16C	109.5
C16—N3—C10	110.4 (4)	H16A—C16—H16C	109.5
C16—N3—C15	108.2 (4)	H16B—C16—H16C	109.5
C10—N3—C15	108.5 (4)	C4—C17—H17A	109.5
C16—N3—Ni2	112.8 (3)	C4—C17—H17B	109.5
C10—N3—Ni2	102.8 (3)	H17A—C17—H17B	109.5
C15—N3—Ni2	113.9 (3)	C4—C17—H17C	109.5
C12—N4—C11	120.3 (4)	H17A—C17—H17C	109.5
C12—N4—Ni2	126.6 (3)	H17B—C17—H17C	109.5
C11—N4—Ni2	113.1 (3)	N5—C18—C19	178.5 (6)
C1—O1—Ni1	127.6 (3)	C18—C19—H19A	109.5
C1—O1—Ni2	127.9 (3)	C18—C19—H19B	109.5
Ni1—O1—Ni2	104.40 (13)	H19A—C19—H19B	109.5
Ni2—Br3—Ni1	79.62 (2)	C18—C19—H19C	109.5
O1—C1—C2	122.3 (4)	H19A—C19—H19C	109.5
O1—C1—C6	121.4 (4)	H19B—C19—H19C	109.5
C2—C1—C6	116.4 (4)	N6—C21—C20	178.9 (8)
C3—C2—C1	119.8 (4)	C21—C20—H20A	109.5
C3—C2—C12	115.5 (4)	C21—C20—H20B	109.5
C1—C2—C12	124.6 (4)	H20A—C20—H20B	109.5
C4—C3—C2	123.9 (5)	C21—C20—H20C	109.5
C4—C3—H3A	118.1	H20A—C20—H20C	109.5
C2—C3—H3A	118.1	H20B—C20—H20C	109.5
C5—C4—C3	116.0 (4)	H1WA—O1W—H1WB	85.0
C5—C4—C17	122.1 (4)	Ni1—O2W—H2WA	105.0
C3—C4—C17	121.8 (5)	Ni1—O2W—H2WB	110.2
C4—C5—C6	123.8 (4)	H2WA—O2W—H2WB	116.2
C4—C5—H5A	118.1	Ni2—O3W—H3WA	123.3
C6—C5—H5A	118.1	Ni2—O3W—H3WB	111.0
C5—C6—C1	120.0 (4)	H3WA—O3W—H3WB	113.8
C5—C6—C7	114.4 (4)	Ni2—O4W—H4WA	112.9
C1—C6—C7	125.5 (4)	Ni2—O4W—H4WB	101.9
N1—C7—C6	127.2 (4)	H4WA—O4W—H4WB	119.7

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···Br2^i	0.85	2.44	3.256 (3)	162
O1W—H1WB···Br1^i	0.85	2.55	3.398 (3)	173
O2W—H2WA···O3W	0.85	2.07	2.868 (4)	157
O2W—H2WB···O1W	0.85	1.86	2.707 (4)	172
O3W—H3WA···N5^ii	0.85	2.03	2.880 (5)	180
O3W—H3WB···Br2^ii	0.85	2.42	3.270 (3)	180
O4W—H4WA···Br2^iii	0.85	2.41	3.260 (3)	180
O4W—H4WB···Br1	0.85	2.42	3.266 (3)	180

Symmetry codes: (i) −x+3/2, y−1/2, −z+1/2; (ii) x+1, y, z; (iii) −x+3/2, y+1/2, −z+1/2.