catena-Poly­[[[4-bromo-2-(2-di­methyl­amino­ethyl­imino­methyl)­phenolato]­zinc(II)]-μ-thio­cyanato]

The title Schiff base compound, [Zn(C₁₁H₁₄N₂O)(NCS)]_n, crystallizes with two independent mol­ecules in the asymmetric unit. The Zn^II atoms are five-coordinated by two N atoms and one O atom from a Schiff base ligand, one N atom from a thio­cyanate anion and one S atom from another thio­cyanate anion of a symmetry-related mol­ecule. This gives rise to the formation of zigzag polymeric chains with a [—Zn—N—C—S—Zn—]_n backbone running along the a axis.

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.041
• wR factor = 0.093
• Data-to-parameter ratio = 18.3

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.94

Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.96
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.06
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N5
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8

Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _reflns_number_total               6356
           From the CIF: _diffrn_reflns_limit_ max hkl   15.    9.   35.
           From the CIF: _diffrn_reflns_limit_ min hkl  -15.   -9.  -35.
           TEST1: Expected hkl limits for theta max
           Calculated maximum hkl   15.    9.   43.
           Calculated minimum hkl  -15.   -9.  -43.
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _reflns_number_total               6356
           Count of symmetry unique reflns         3444
           Completeness (_total/calc)            184.55%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2912
           Fraction of Friedel pairs measured     0.846
           Are heavy atom types Z>Si present          yes

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

   1 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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

catena-Poly[[[4-bromo-2-(2-dimethylaminoethyliminomethyl)phenolato]zinc(II)]- µ-thiocyanato]

Crystal data

[Zn(C11H14N2O)(NCS)]	F(000) = 1568
Mr = 393.60	Dx = 1.774 Mg m^−3
Orthorhombic, Pca21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2ac	Cell parameters from 6908 reflections
a = 11.750 (2) Å	θ = 2.5–24.8°
b = 7.410 (2) Å	µ = 4.52 mm^−1
c = 33.842 (7) Å	T = 298 K
V = 2946.7 (10) Å^3	Block, yellow
Z = 8	0.22 × 0.13 × 0.11 mm

Data collection

Bruker SMART CCD area-detector diffractometer	6356 independent reflections
Radiation source: fine-focus sealed tube	5330 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.045
ω scans	θmax = 27.5°, θmin = 1.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −15→15
Tmin = 0.437, Tmax = 0.637	k = −9→9
30314 measured reflections	l = −35→35

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.041	H-atom parameters constrained
wR(F^2) = 0.093	w = 1/[σ^2(Fo^2) + (0.0226P)^2 + 2.4441P] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max < 0.001
6356 reflections	Δρmax = 1.09 e Å^−3
347 parameters	Δρmin = −0.36 e Å^−3
1 restraint	Absolute structure: Flack (1983)
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.056 (11)

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.

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

	x	y	z	Uiso*/Ueq
Zn1	0.66576 (4)	0.59178 (8)	0.323031 (17)	0.03647 (14)
Zn2	0.43190 (4)	0.91672 (8)	0.017316 (17)	0.03835 (15)
Br1	0.92436 (6)	0.01633 (13)	0.17001 (2)	0.0862 (3)
Br2	0.67917 (5)	1.54132 (11)	0.16338 (2)	0.06476 (19)
S1	0.29589 (11)	0.61687 (19)	0.37642 (5)	0.0476 (3)
S2	0.06244 (11)	0.8728 (2)	−0.03568 (5)	0.0488 (4)
O1	0.6274 (3)	0.4023 (5)	0.28679 (11)	0.0482 (10)
O2	0.3890 (3)	1.1065 (5)	0.05298 (11)	0.0480 (9)
N1	0.8028 (3)	0.6530 (6)	0.29375 (12)	0.0352 (9)
N2	0.7017 (3)	0.8253 (5)	0.35397 (13)	0.0377 (9)
N3	0.5151 (4)	0.5753 (6)	0.34711 (14)	0.0486 (11)
N4	0.5687 (3)	0.8648 (6)	0.04772 (12)	0.0371 (10)
N5	0.4708 (3)	0.6838 (6)	−0.01325 (13)	0.0396 (10)
N6	0.2803 (4)	0.9265 (6)	−0.00715 (15)	0.0477 (12)
C1	0.6958 (4)	0.3227 (8)	0.26187 (15)	0.0394 (12)
C2	0.6574 (4)	0.1747 (8)	0.2406 (2)	0.0518 (14)
H2	0.5832	0.1355	0.2447	0.062*
C3	0.7234 (5)	0.0838 (8)	0.21407 (19)	0.0573 (16)
H3	0.6942	−0.0146	0.2004	0.069*
C4	0.8355 (5)	0.1406 (9)	0.20771 (17)	0.0562 (16)
C5	0.8764 (4)	0.2870 (8)	0.22697 (15)	0.0483 (13)
H5	0.9506	0.3251	0.2223	0.058*
C6	0.8083 (4)	0.3823 (8)	0.25398 (14)	0.0399 (12)
C7	0.8542 (4)	0.5470 (8)	0.26954 (16)	0.0433 (13)
H7	0.9269	0.5797	0.2615	0.052*
C8	0.8577 (4)	0.8196 (8)	0.30593 (18)	0.0485 (13)
H8A	0.8340	0.9179	0.2889	0.058*
H8B	0.9397	0.8073	0.3039	0.058*
C9	0.8246 (4)	0.8588 (7)	0.34780 (18)	0.0433 (13)
H9A	0.8684	0.7828	0.3655	0.052*
H9B	0.8419	0.9836	0.3540	0.052*
C10	0.6331 (5)	0.9681 (9)	0.3356 (3)	0.071 (2)
H10A	0.6557	1.0832	0.3460	0.106*
H10B	0.5541	0.9477	0.3413	0.106*
H10C	0.6447	0.9667	0.3075	0.106*
C11	0.6781 (5)	0.8246 (10)	0.39641 (19)	0.0609 (17)
H11A	0.6928	0.9423	0.4071	0.091*
H11B	0.7262	0.7377	0.4092	0.091*
H11C	0.5998	0.7935	0.4008	0.091*
C12	0.4241 (4)	0.5936 (6)	0.35891 (15)	0.0347 (10)
C13	0.4561 (4)	1.1911 (8)	0.07765 (15)	0.0397 (12)
C14	0.4140 (5)	1.3448 (9)	0.09701 (16)	0.0494 (15)
H14	0.3390	1.3797	0.0925	0.059*
C15	0.4788 (5)	1.4438 (8)	0.12196 (16)	0.0478 (13)
H15	0.4483	1.5449	0.1343	0.057*
C16	0.5913 (4)	1.3943 (8)	0.12909 (15)	0.0470 (13)
C17	0.6349 (4)	1.2431 (8)	0.11234 (15)	0.0429 (13)
H17	0.7091	1.2085	0.1181	0.052*
C18	0.5689 (4)	1.1371 (8)	0.08613 (15)	0.0385 (12)
C19	0.6171 (4)	0.9712 (8)	0.07174 (16)	0.0402 (12)
H19	0.6891	0.9397	0.0807	0.048*
C20	0.6258 (4)	0.6962 (8)	0.03607 (17)	0.0474 (14)
H20A	0.6015	0.5983	0.0531	0.057*
H20B	0.7076	0.7095	0.0386	0.057*
C21	0.5953 (4)	0.6549 (8)	−0.00608 (19)	0.0489 (14)
H21A	0.6390	0.7321	−0.0236	0.059*
H21B	0.6148	0.5306	−0.0120	0.059*
C22	0.4518 (5)	0.6858 (9)	−0.0563 (2)	0.0623 (18)
H22A	0.4812	0.5767	−0.0677	0.093*
H22B	0.4900	0.7878	−0.0677	0.093*
H22C	0.3717	0.6942	−0.0615	0.093*
C23	0.4024 (5)	0.5406 (9)	0.0060 (3)	0.075 (2)
H23A	0.4114	0.4295	−0.0082	0.113*
H23B	0.3236	0.5749	0.0060	0.113*
H23C	0.4278	0.5247	0.0327	0.113*
C24	0.1914 (4)	0.9025 (6)	−0.01873 (15)	0.0339 (11)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0253 (3)	0.0455 (3)	0.0386 (3)	−0.0048 (2)	0.0045 (2)	−0.0032 (3)
Zn2	0.0242 (3)	0.0516 (3)	0.0392 (3)	0.0062 (2)	−0.0048 (2)	0.0017 (3)
Br1	0.0693 (5)	0.1142 (7)	0.0750 (6)	0.0314 (4)	0.0051 (4)	−0.0439 (5)
Br2	0.0483 (4)	0.0860 (4)	0.0600 (4)	−0.0141 (3)	−0.0105 (3)	−0.0126 (4)
S1	0.0288 (6)	0.0537 (8)	0.0602 (9)	−0.0040 (6)	0.0136 (6)	−0.0170 (7)
S2	0.0308 (7)	0.0537 (8)	0.0618 (9)	0.0039 (6)	−0.0129 (6)	−0.0215 (7)
O1	0.0262 (18)	0.071 (3)	0.047 (2)	−0.0085 (17)	0.0045 (15)	−0.0233 (19)
O2	0.0252 (18)	0.073 (3)	0.046 (2)	0.0096 (17)	−0.0055 (15)	−0.0127 (19)
N1	0.0244 (19)	0.049 (2)	0.032 (2)	−0.0019 (17)	0.0008 (16)	0.0018 (18)
N2	0.028 (2)	0.030 (2)	0.055 (3)	0.0019 (16)	0.0046 (18)	−0.007 (2)
N3	0.030 (2)	0.065 (3)	0.051 (3)	−0.009 (2)	0.011 (2)	−0.012 (2)
N4	0.027 (2)	0.046 (2)	0.038 (2)	0.0086 (18)	−0.0022 (17)	0.015 (2)
N5	0.026 (2)	0.034 (2)	0.059 (3)	0.0006 (17)	−0.0056 (19)	0.001 (2)
N6	0.030 (2)	0.062 (3)	0.051 (3)	0.011 (2)	−0.007 (2)	−0.013 (2)
C1	0.032 (3)	0.054 (3)	0.032 (3)	−0.001 (2)	−0.001 (2)	−0.005 (2)
C2	0.040 (3)	0.067 (4)	0.049 (3)	−0.010 (3)	−0.001 (3)	−0.013 (3)
C3	0.060 (4)	0.062 (4)	0.050 (4)	0.005 (3)	−0.005 (3)	−0.021 (3)
C4	0.047 (3)	0.080 (4)	0.042 (3)	0.024 (3)	−0.001 (3)	−0.010 (3)
C5	0.028 (3)	0.080 (4)	0.037 (3)	0.005 (3)	−0.001 (2)	−0.005 (3)
C6	0.024 (2)	0.064 (3)	0.032 (3)	0.002 (2)	−0.0016 (18)	−0.010 (2)
C7	0.021 (2)	0.072 (4)	0.037 (3)	0.000 (2)	0.006 (2)	0.004 (3)
C8	0.031 (3)	0.054 (3)	0.060 (4)	−0.006 (2)	0.008 (2)	0.006 (3)
C9	0.032 (3)	0.032 (3)	0.066 (4)	−0.006 (2)	0.001 (2)	−0.006 (2)
C10	0.044 (3)	0.049 (4)	0.119 (6)	0.015 (3)	0.006 (4)	0.012 (4)
C11	0.056 (4)	0.067 (4)	0.059 (4)	−0.008 (3)	0.008 (3)	−0.026 (3)
C12	0.031 (3)	0.038 (3)	0.035 (3)	−0.006 (2)	0.003 (2)	−0.006 (2)
C13	0.024 (2)	0.062 (3)	0.032 (3)	−0.001 (2)	0.0012 (19)	0.002 (2)
C14	0.030 (3)	0.075 (4)	0.043 (4)	0.013 (3)	−0.007 (2)	−0.012 (3)
C15	0.041 (3)	0.066 (4)	0.037 (3)	0.003 (3)	−0.003 (2)	−0.007 (3)
C16	0.037 (3)	0.071 (4)	0.033 (3)	−0.009 (3)	−0.003 (2)	−0.003 (3)
C17	0.030 (3)	0.062 (4)	0.036 (3)	−0.005 (2)	−0.006 (2)	0.008 (3)
C18	0.027 (2)	0.061 (3)	0.027 (3)	0.000 (2)	−0.0016 (19)	0.008 (2)
C19	0.023 (2)	0.062 (3)	0.036 (3)	0.005 (2)	−0.004 (2)	0.009 (3)
C20	0.035 (3)	0.047 (3)	0.060 (4)	0.012 (2)	−0.014 (2)	0.008 (3)
C21	0.023 (2)	0.039 (3)	0.085 (4)	0.004 (2)	−0.004 (3)	−0.004 (3)
C22	0.052 (4)	0.062 (4)	0.073 (5)	0.011 (3)	−0.017 (3)	−0.032 (4)
C23	0.038 (3)	0.050 (4)	0.138 (8)	−0.004 (3)	0.003 (4)	0.022 (4)
C24	0.029 (3)	0.035 (3)	0.037 (3)	0.013 (2)	−0.001 (2)	−0.007 (2)

Geometric parameters (Å, º)

Zn1—O1	1.918 (3)	C5—C6	1.405 (7)
Zn1—N1	1.944 (4)	C5—H5	0.9300
Zn1—N3	1.952 (4)	C6—C7	1.434 (8)
Zn1—N2	2.066 (4)	C7—H7	0.9300
Zn1—S1^i	2.8271 (16)	C8—C9	1.498 (8)
Zn2—O2	1.921 (4)	C8—H8A	0.9700
Zn2—N4	1.947 (4)	C8—H8B	0.9700
Zn2—N6	1.966 (4)	C9—H9A	0.9700
Zn2—N5	2.064 (4)	C9—H9B	0.9700
Zn2—S2^ii	2.8288 (15)	C10—H10A	0.9600
Br1—C4	1.888 (6)	C10—H10B	0.9600
Br2—C16	1.898 (5)	C10—H10C	0.9600
S1—C12	1.628 (5)	C11—H11A	0.9600
S1—Zn1^iii	2.8271 (16)	C11—H11B	0.9600
S2—C24	1.635 (5)	C11—H11C	0.9600
S2—Zn2^iv	2.8288 (15)	C13—C14	1.404 (8)
O1—C1	1.306 (6)	C13—C18	1.414 (6)
O2—C13	1.308 (6)	C14—C15	1.353 (8)
N1—C7	1.286 (7)	C14—H14	0.9300
N1—C8	1.453 (7)	C15—C16	1.392 (8)
N2—C11	1.463 (8)	C15—H15	0.9300
N2—C10	1.468 (8)	C16—C17	1.356 (8)
N2—C9	1.480 (6)	C17—C18	1.415 (7)
N3—C12	1.150 (6)	C17—H17	0.9300
N4—C19	1.267 (7)	C18—C19	1.438 (8)
N4—C20	1.472 (7)	C19—H19	0.9300
N5—C22	1.473 (8)	C20—C21	1.502 (8)
N5—C23	1.482 (7)	C20—H20A	0.9700
N5—C21	1.498 (6)	C20—H20B	0.9700
N6—C24	1.129 (6)	C21—H21A	0.9700
C1—C2	1.387 (8)	C21—H21B	0.9700
C1—C6	1.418 (7)	C22—H22A	0.9600
C2—C3	1.365 (8)	C22—H22B	0.9600
C2—H2	0.9300	C22—H22C	0.9600
C3—C4	1.400 (9)	C23—H23A	0.9600
C3—H3	0.9300	C23—H23B	0.9600
C4—C5	1.354 (8)	C23—H23C	0.9600
O1—Zn1—N1	92.26 (16)	N1—C8—H8B	110.0
O1—Zn1—N3	90.46 (17)	C9—C8—H8B	110.0
N1—Zn1—N3	168.0 (2)	H8A—C8—H8B	108.4
O1—Zn1—N2	170.12 (18)	N2—C9—C8	110.8 (5)
N1—Zn1—N2	83.89 (17)	N2—C9—H9A	109.5
N3—Zn1—N2	91.52 (17)	C8—C9—H9A	109.5
O1—Zn1—S1^i	97.78 (13)	N2—C9—H9B	109.5
N1—Zn1—S1^i	90.31 (12)	C8—C9—H9B	109.5
N3—Zn1—S1^i	100.91 (16)	H9A—C9—H9B	108.1
N2—Zn1—S1^i	91.35 (13)	N2—C10—H10A	109.5
O2—Zn2—N4	91.67 (16)	N2—C10—H10B	109.5
O2—Zn2—N6	90.00 (17)	H10A—C10—H10B	109.5
N4—Zn2—N6	168.0 (2)	N2—C10—H10C	109.5
O2—Zn2—N5	170.29 (18)	H10A—C10—H10C	109.5
N4—Zn2—N5	85.22 (17)	H10B—C10—H10C	109.5
N6—Zn2—N5	91.18 (17)	N2—C11—H11A	109.5
O2—Zn2—S2^ii	97.87 (13)	N2—C11—H11B	109.5
N4—Zn2—S2^ii	89.78 (12)	H11A—C11—H11B	109.5
N6—Zn2—S2^ii	101.78 (16)	N2—C11—H11C	109.5
N5—Zn2—S2^ii	91.32 (12)	H11A—C11—H11C	109.5
C12—S1—Zn1^iii	102.13 (18)	H11B—C11—H11C	109.5
C24—S2—Zn2^iv	101.89 (17)	N3—C12—S1	178.8 (5)
C1—O1—Zn1	126.8 (3)	O2—C13—C14	118.3 (4)
C13—O2—Zn2	126.4 (3)	O2—C13—C18	124.0 (5)
C7—N1—C8	119.4 (4)	C14—C13—C18	117.8 (5)
C7—N1—Zn1	124.8 (4)	C15—C14—C13	122.2 (5)
C8—N1—Zn1	114.9 (3)	C15—C14—H14	118.9
C11—N2—C10	108.3 (5)	C13—C14—H14	118.9
C11—N2—C9	108.9 (5)	C14—C15—C16	120.0 (6)
C10—N2—C9	110.8 (4)	C14—C15—H15	120.0
C11—N2—Zn1	117.1 (4)	C16—C15—H15	120.0
C10—N2—Zn1	106.1 (4)	C17—C16—C15	120.2 (5)
C9—N2—Zn1	105.6 (3)	C17—C16—Br2	121.6 (4)
C12—N3—Zn1	168.8 (5)	C15—C16—Br2	118.1 (4)
C19—N4—C20	119.7 (4)	C16—C17—C18	120.9 (5)
C19—N4—Zn2	125.9 (4)	C16—C17—H17	119.5
C20—N4—Zn2	113.7 (3)	C18—C17—H17	119.5
C22—N5—C23	111.0 (5)	C13—C18—C17	118.9 (5)
C22—N5—C21	108.1 (4)	C13—C18—C19	122.8 (5)
C23—N5—C21	110.9 (4)	C17—C18—C19	118.1 (4)
C22—N5—Zn2	116.9 (4)	N4—C19—C18	124.9 (5)
C23—N5—Zn2	105.0 (4)	N4—C19—H19	117.5
C21—N5—Zn2	104.8 (3)	C18—C19—H19	117.5
C24—N6—Zn2	168.0 (5)	N4—C20—C21	108.6 (4)
O1—C1—C2	119.4 (5)	N4—C20—H20A	110.0
O1—C1—C6	123.7 (5)	C21—C20—H20A	110.0
C2—C1—C6	116.8 (5)	N4—C20—H20B	110.0
C3—C2—C1	123.1 (5)	C21—C20—H20B	110.0
C3—C2—H2	118.4	H20A—C20—H20B	108.4
C1—C2—H2	118.4	N5—C21—C20	110.9 (5)
C2—C3—C4	119.2 (6)	N5—C21—H21A	109.5
C2—C3—H3	120.4	C20—C21—H21A	109.5
C4—C3—H3	120.4	N5—C21—H21B	109.5
C5—C4—C3	120.0 (5)	C20—C21—H21B	109.5
C5—C4—Br1	121.3 (5)	H21A—C21—H21B	108.0
C3—C4—Br1	118.5 (5)	N5—C22—H22A	109.5
C4—C5—C6	120.9 (5)	N5—C22—H22B	109.5
C4—C5—H5	119.5	H22A—C22—H22B	109.5
C6—C5—H5	119.5	N5—C22—H22C	109.5
C5—C6—C1	119.8 (5)	H22A—C22—H22C	109.5
C5—C6—C7	116.9 (4)	H22B—C22—H22C	109.5
C1—C6—C7	123.1 (5)	N5—C23—H23A	109.5
N1—C7—C6	125.2 (4)	N5—C23—H23B	109.5
N1—C7—H7	117.4	H23A—C23—H23B	109.5
C6—C7—H7	117.4	N5—C23—H23C	109.5
N1—C8—C9	108.5 (4)	H23A—C23—H23C	109.5
N1—C8—H8A	110.0	H23B—C23—H23C	109.5
C9—C8—H8A	110.0	N6—C24—S2	178.7 (5)
N1—Zn1—O1—C1	18.9 (5)	Zn1—O1—C1—C6	−8.9 (8)
N3—Zn1—O1—C1	−172.8 (5)	O1—C1—C2—C3	−180.0 (6)
S1^i—Zn1—O1—C1	−71.8 (4)	C6—C1—C2—C3	2.0 (9)
N4—Zn2—O2—C13	19.6 (4)	C1—C2—C3—C4	0.3 (10)
N6—Zn2—O2—C13	−172.3 (4)	C2—C3—C4—C5	−1.8 (10)
S2^ii—Zn2—O2—C13	−70.4 (4)	C2—C3—C4—Br1	−178.7 (5)
O1—Zn1—N1—C7	−20.7 (4)	C3—C4—C5—C6	1.1 (9)
N3—Zn1—N1—C7	−123.7 (9)	Br1—C4—C5—C6	177.8 (4)
N2—Zn1—N1—C7	168.4 (4)	C4—C5—C6—C1	1.3 (8)
S1^i—Zn1—N1—C7	77.1 (4)	C4—C5—C6—C7	−173.1 (5)
O1—Zn1—N1—C8	169.6 (4)	O1—C1—C6—C5	179.3 (5)
N3—Zn1—N1—C8	66.7 (10)	C2—C1—C6—C5	−2.7 (8)
N2—Zn1—N1—C8	−1.3 (4)	O1—C1—C6—C7	−6.7 (8)
S1^i—Zn1—N1—C8	−92.6 (3)	C2—C1—C6—C7	171.3 (5)
N1—Zn1—N2—C11	−143.0 (4)	C8—N1—C7—C6	−177.6 (5)
N3—Zn1—N2—C11	48.1 (4)	Zn1—N1—C7—C6	13.2 (8)
S1^i—Zn1—N2—C11	−52.9 (4)	C5—C6—C7—N1	178.3 (5)
N1—Zn1—N2—C10	96.0 (4)	C1—C6—C7—N1	4.2 (9)
N3—Zn1—N2—C10	−72.8 (4)	C7—N1—C8—C9	−146.3 (5)
S1^i—Zn1—N2—C10	−173.8 (4)	Zn1—N1—C8—C9	23.9 (5)
N1—Zn1—N2—C9	−21.6 (3)	C11—N2—C9—C8	167.2 (5)
N3—Zn1—N2—C9	169.5 (4)	C10—N2—C9—C8	−73.8 (6)
S1^i—Zn1—N2—C9	68.5 (3)	Zn1—N2—C9—C8	40.6 (5)
O1—Zn1—N3—C12	−115 (2)	N1—C8—C9—N2	−43.0 (6)
N1—Zn1—N3—C12	−12 (3)	Zn2—O2—C13—C14	170.3 (4)
N2—Zn1—N3—C12	55 (2)	Zn2—O2—C13—C18	−9.8 (7)
S1^i—Zn1—N3—C12	147 (2)	O2—C13—C14—C15	−177.7 (6)
O2—Zn2—N4—C19	−20.5 (4)	C18—C13—C14—C15	2.4 (8)
N6—Zn2—N4—C19	−118.4 (9)	C13—C14—C15—C16	0.0 (9)
N5—Zn2—N4—C19	168.7 (5)	C14—C15—C16—C17	−2.6 (9)
S2^ii—Zn2—N4—C19	77.4 (4)	C14—C15—C16—Br2	178.6 (5)
O2—Zn2—N4—C20	168.8 (4)	C15—C16—C17—C18	2.6 (8)
N6—Zn2—N4—C20	71.0 (10)	Br2—C16—C17—C18	−178.6 (4)
N5—Zn2—N4—C20	−1.9 (3)	O2—C13—C18—C17	177.8 (5)
S2^ii—Zn2—N4—C20	−93.3 (3)	C14—C13—C18—C17	−2.3 (7)
N4—Zn2—N5—C22	−140.7 (4)	O2—C13—C18—C19	−7.2 (8)
N6—Zn2—N5—C22	50.8 (4)	C14—C13—C18—C19	172.7 (5)
S2^ii—Zn2—N5—C22	−51.0 (4)	C16—C17—C18—C13	−0.1 (8)
N4—Zn2—N5—C23	95.7 (4)	C16—C17—C18—C19	−175.4 (5)
N6—Zn2—N5—C23	−72.8 (4)	C20—N4—C19—C18	−178.3 (5)
S2^ii—Zn2—N5—C23	−174.6 (4)	Zn2—N4—C19—C18	11.6 (8)
N4—Zn2—N5—C21	−21.1 (3)	C13—C18—C19—N4	6.2 (8)
N6—Zn2—N5—C21	170.3 (4)	C17—C18—C19—N4	−178.8 (5)
S2^ii—Zn2—N5—C21	68.5 (3)	C19—N4—C20—C21	−146.3 (5)
O2—Zn2—N6—C24	−116 (2)	Zn2—N4—C20—C21	25.0 (5)
N4—Zn2—N6—C24	−18 (3)	C22—N5—C21—C20	166.1 (5)
N5—Zn2—N6—C24	54 (2)	C23—N5—C21—C20	−72.0 (6)
S2^ii—Zn2—N6—C24	146 (2)	Zn2—N5—C21—C20	40.7 (5)
Zn1—O1—C1—C2	173.2 (4)	N4—C20—C21—N5	−44.0 (6)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C7—H7···O1^i	0.93	2.51	3.285 (7)	141
C19—H19···O2^ii	0.93	2.55	3.308 (7)	139
C20—H20B···O2^ii	0.97	2.58	3.468 (7)	153

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