{[μ-Bis­(salicyl­idene)-1,3-propane­diaminato]bis(3,5-di­methyl­pyridine)nickel(II)}di­bromo­zinc(II)

The title compound, [NiZnBr₂(C₁₇H₁₆N₂O₂)(C₇H₉N)₂], is a double oxy­gen-bridged heterometal complex based on a Schiff base ligand. The Ni atom has an irregular octahedral environment involving two bridging O and two N atoms from a SALPD²⁻ [N,N′-bis­(salicyl­idene)-1,3-propane­diaminate] ligand in the equatorial plane and two N atoms from two 3,5-di­methyl­pyridine mol­ecules in the axial positions.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.034
• wR factor = 0.101
• Data-to-parameter ratio = 13.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03
         From the CIF: _diffrn_reflns_theta_max           25.60
         From the CIF: _reflns_number_total               5746
         TEST2: Reflns within _diffrn_reflns_theta_max
         Count of symmetry unique reflns         6104
         Completeness (_total/calc)             94.13%
          Alert C: < 95% complete


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check

---

Computing details

Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1993); data reduction: MolEN (Fair, 1990); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP (Johnson, 1965); software used to prepare material for publication: PARST (Nardelli, 1995).

(I)

Crystal data

[NiZnBr2(C17H16N2O2)(C7H9N)2]	F(000) = 1568
Mr = 778.50	Dx = 1.595 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 23 reflections
a = 9.2033 (8) Å	θ = 10.7–18.0°
b = 18.8786 (13) Å	µ = 3.82 mm^−1
c = 19.1011 (15) Å	T = 295 K
β = 102.358 (8)°	Prismatic, purple
V = 3241.8 (5) Å^3	0.30 × 0.20 × 0.15 mm
Z = 4

Data collection

Enraf-Nonius CAD-4 diffractometer	Rint = 0.019
ω/2θ scans	θmax = 25.6°
Absorption correction: ψ scan (MolEN; Fair, 1990)	h = −11→0
Tmin = 0.416, Tmax = 0.564	k = 0→22
6102 measured reflections	l = −22→23
5746 independent reflections	3 standard reflections every 120 min
3651 reflections with I > 2σ(I)	intensity decay: 1%

Refinement

Refinement on F^2	H atoms treated by a mixture of independent and constrained refinement
R[F^2 > 2σ(F^2)] = 0.034	w = 1/[σ^2(Fo^2) + (0.0621P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.101	(Δ/σ)max = 0.003
S = 0.93	Δρmax = 0.53 e Å^−3
5746 reflections	Δρmin = −0.32 e Å^−3
421 parameters

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Br1	1.05511 (5)	0.31151 (3)	0.02568 (2)	0.05972 (16)
Br2	0.77137 (7)	0.14791 (3)	−0.03018 (3)	0.0775 (2)
Zn	0.84115 (5)	0.24867 (2)	0.04025 (2)	0.04305 (15)
Ni	0.64451 (6)	0.29819 (3)	0.14231 (2)	0.03989 (15)
O1	0.8297 (3)	0.23992 (14)	0.14245 (13)	0.0424 (7)
O2	0.6719 (3)	0.31586 (13)	0.04134 (13)	0.0404 (6)
N1	0.6490 (4)	0.27231 (18)	0.24538 (18)	0.0488 (9)
N2	0.4605 (4)	0.36029 (19)	0.12350 (19)	0.0502 (9)
N3	0.7930 (4)	0.39138 (16)	0.18463 (17)	0.0419 (8)
N4	0.5188 (4)	0.20403 (18)	0.10383 (19)	0.0487 (9)
C1	0.9318 (5)	0.2204 (2)	0.1994 (2)	0.0427 (10)
C2	1.0659 (5)	0.1918 (2)	0.1912 (3)	0.0540 (12)
H2	1.084	0.1862	0.1455	0.058 (13)*
C3	1.1719 (6)	0.1717 (2)	0.2494 (3)	0.0689 (15)
H3	1.2599	0.1516	0.2423	0.069 (15)*
C4	1.1517 (7)	0.1805 (3)	0.3176 (3)	0.0812 (18)
H4	1.2268	0.169	0.3569	0.076 (15)*
C5	1.0186 (7)	0.2066 (3)	0.3269 (3)	0.0699 (15)
H5	1.0035	0.2116	0.3733	0.093 (19)*
C6	0.9043 (5)	0.2260 (2)	0.2693 (2)	0.0506 (11)
C7	0.7666 (6)	0.2480 (2)	0.2864 (2)	0.0534 (12)
H7	0.7624	0.2441	0.3344	0.059 (13)*
C8	0.5191 (7)	0.2867 (3)	0.2777 (3)	0.0722 (16)
C10	0.3713 (8)	0.3670 (5)	0.1776 (3)	0.102 (2)
C11	0.4117 (5)	0.3935 (2)	0.0652 (3)	0.0502 (11)
H11	0.3258	0.4199	0.0637	0.047 (11)*
C12	0.4711 (4)	0.3959 (2)	0.0010 (2)	0.0421 (10)
C13	0.3952 (5)	0.4383 (2)	−0.0553 (2)	0.0535 (11)
H13	0.3104	0.4623	−0.0495	0.060 (14)*
C14	0.4411 (6)	0.4457 (2)	−0.1184 (3)	0.0609 (13)
H14	0.3894	0.4747	−0.1547	0.058 (13)*
C15	0.5643 (6)	0.4095 (2)	−0.1270 (2)	0.0603 (13)
H15	0.5963	0.4137	−0.1699	0.070 (15)*
C16	0.6425 (5)	0.3667 (2)	−0.0734 (2)	0.0492 (11)
H16	0.727	0.3432	−0.0804	0.037 (11)*
C17	0.5972 (4)	0.35821 (19)	−0.00878 (19)	0.0362 (9)
C18	0.8164 (5)	0.4166 (2)	0.2515 (2)	0.0470 (10)
H18	0.7668	0.3945	0.2832	0.052 (12)*
C19	0.9083 (5)	0.4727 (2)	0.2774 (2)	0.0503 (11)
C20	0.9812 (5)	0.5050 (2)	0.2295 (2)	0.0531 (12)
H20	1.0439	0.5432	0.2445	0.043 (11)*
C21	0.9617 (5)	0.4810 (2)	0.1598 (2)	0.0480 (11)
C22	0.8672 (5)	0.4238 (2)	0.1405 (2)	0.0459 (10)
H22	0.8544	0.4069	0.0939	0.058 (13)*
C23	0.9264 (8)	0.4983 (3)	0.3533 (3)	0.0811 (17)
H231	0.8673	0.4695	0.3779	0.14 (3)*
H232	0.8944	0.5467	0.3532	0.15 (3)*
H233	1.0291	0.495	0.3772	0.27 (6)*
C24	1.0382 (6)	0.5150 (3)	0.1063 (3)	0.0690 (14)
H241	1.01	0.4909	0.0612	0.17 (3)*
H242	1.144	0.5118	0.1232	0.14 (3)*
H243	1.0094	0.5638	0.1003	0.13 (2)*
C25	0.4146 (5)	0.2035 (2)	0.0432 (3)	0.0539 (11)
H25	0.389	0.2463	0.0197	0.057 (13)*
C26	0.3424 (5)	0.1426 (3)	0.0133 (3)	0.0612 (13)
C27	0.3838 (6)	0.0804 (3)	0.0478 (3)	0.0707 (15)
H27	0.3383	0.0385	0.0291	0.071 (15)*
C28	0.4918 (6)	0.0784 (2)	0.1099 (3)	0.0692 (14)
C29	0.5552 (6)	0.1418 (2)	0.1353 (3)	0.0601 (13)
H29	0.6284	0.1412	0.1772	0.060 (14)*
C30	0.2270 (8)	0.1480 (4)	−0.0566 (3)	0.097 (2)
H301	0.2153	0.1967	−0.0712	0.15 (3)*
H302	0.1336	0.1299	−0.0497	0.25 (5)*
H303	0.2592	0.1209	−0.093	0.13 (3)*
C31	0.5402 (11)	0.0098 (3)	0.1486 (4)	0.130 (3)
H311	0.6164	0.0193	0.1904	0.12 (2)*
H312	0.5785	−0.0215	0.1173	0.22 (5)*
H313	0.4566	−0.0119	0.1626	0.22 (5)*
C91	0.4456 (12)	0.3481 (6)	0.2544 (6)	0.058 (2)*	0.5
C92	0.3766 (13)	0.3147 (6)	0.2235 (7)	0.064 (3)*	0.5
H81	0.551 (5)	0.3291 (14)	0.298 (2)	0.094 (2)*
H82	0.471 (4)	0.2441 (14)	0.272 (2)	0.094 (2)*
H911	0.375 (7)	0.359 (4)	0.284 (4)	0.075 (3)*	0.5
H923	0.302 (7)	0.320 (4)	0.252 (4)	0.083 (4)*	0.5
H912	0.509 (7)	0.389 (3)	0.264 (4)	0.075 (3)*	0.5
H922	0.327 (8)	0.276 (3)	0.194 (4)	0.083 (4)*	0.5
H101	0.322 (5)	0.3230 (16)	0.171 (3)	0.133 (3)*
H102	0.429 (4)	0.4031 (18)	0.205 (2)	0.133 (3)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Br1	0.0533 (3)	0.0740 (3)	0.0554 (3)	−0.0004 (2)	0.0196 (2)	0.0018 (2)
Br2	0.0988 (5)	0.0667 (4)	0.0689 (3)	−0.0048 (3)	0.0219 (3)	−0.0261 (3)
Zn	0.0478 (3)	0.0468 (3)	0.0348 (3)	0.0085 (2)	0.0093 (2)	0.0001 (2)
Ni	0.0426 (3)	0.0448 (3)	0.0329 (3)	−0.0002 (2)	0.0095 (2)	−0.0001 (2)
O1	0.0427 (16)	0.0515 (17)	0.0311 (14)	0.0063 (14)	0.0037 (13)	0.0049 (12)
O2	0.0450 (17)	0.0427 (16)	0.0324 (14)	0.0123 (13)	0.0054 (13)	0.0038 (12)
N1	0.065 (3)	0.050 (2)	0.0350 (19)	−0.016 (2)	0.0191 (19)	−0.0022 (17)
N2	0.041 (2)	0.064 (2)	0.047 (2)	0.0058 (19)	0.0125 (18)	−0.0093 (19)
N3	0.045 (2)	0.0383 (18)	0.0426 (19)	−0.0005 (16)	0.0099 (16)	0.0030 (16)
N4	0.050 (2)	0.049 (2)	0.046 (2)	−0.0065 (18)	0.0092 (18)	−0.0038 (18)
C1	0.051 (3)	0.031 (2)	0.041 (2)	−0.006 (2)	−0.001 (2)	0.0047 (18)
C2	0.054 (3)	0.047 (3)	0.056 (3)	0.004 (2)	0.001 (2)	0.009 (2)
C3	0.057 (3)	0.052 (3)	0.087 (4)	0.004 (3)	−0.010 (3)	0.021 (3)
C4	0.088 (5)	0.062 (3)	0.068 (4)	−0.001 (3)	−0.040 (4)	0.018 (3)
C5	0.092 (4)	0.057 (3)	0.047 (3)	−0.002 (3)	−0.016 (3)	0.010 (2)
C6	0.070 (3)	0.040 (2)	0.037 (2)	−0.008 (2)	0.001 (2)	0.0055 (19)
C7	0.083 (4)	0.043 (3)	0.033 (2)	−0.013 (3)	0.008 (2)	0.006 (2)
C8	0.087 (4)	0.083 (4)	0.054 (3)	−0.034 (3)	0.033 (3)	−0.017 (3)
C10	0.079 (5)	0.162 (8)	0.066 (4)	0.024 (5)	0.020 (4)	−0.014 (5)
C11	0.038 (3)	0.048 (3)	0.063 (3)	0.009 (2)	0.006 (2)	−0.011 (2)
C12	0.042 (3)	0.032 (2)	0.047 (2)	−0.0017 (19)	−0.002 (2)	−0.0030 (19)
C13	0.046 (3)	0.043 (2)	0.063 (3)	0.002 (2)	−0.006 (2)	−0.001 (2)
C14	0.060 (3)	0.052 (3)	0.057 (3)	−0.002 (3)	−0.018 (3)	0.014 (2)
C15	0.066 (3)	0.063 (3)	0.048 (3)	−0.003 (3)	0.004 (2)	0.018 (2)
C16	0.052 (3)	0.050 (3)	0.043 (2)	0.004 (2)	0.004 (2)	0.003 (2)
C17	0.041 (2)	0.031 (2)	0.033 (2)	−0.0065 (19)	−0.0005 (18)	−0.0018 (17)
C18	0.056 (3)	0.041 (2)	0.045 (3)	−0.003 (2)	0.013 (2)	−0.001 (2)
C19	0.061 (3)	0.042 (2)	0.047 (2)	0.005 (2)	0.008 (2)	0.001 (2)
C20	0.051 (3)	0.039 (3)	0.066 (3)	−0.005 (2)	0.004 (2)	0.001 (2)
C21	0.044 (3)	0.044 (2)	0.058 (3)	0.002 (2)	0.016 (2)	0.006 (2)
C22	0.052 (3)	0.039 (2)	0.048 (3)	0.002 (2)	0.013 (2)	0.003 (2)
C23	0.124 (6)	0.063 (4)	0.054 (3)	−0.022 (4)	0.015 (3)	−0.006 (3)
C24	0.076 (4)	0.059 (3)	0.079 (4)	−0.014 (3)	0.033 (3)	0.004 (3)
C25	0.053 (3)	0.046 (3)	0.061 (3)	0.001 (2)	0.008 (2)	−0.008 (2)
C26	0.058 (3)	0.058 (3)	0.066 (3)	0.000 (3)	0.007 (2)	−0.010 (3)
C27	0.076 (4)	0.058 (3)	0.076 (4)	−0.023 (3)	0.010 (3)	−0.018 (3)
C28	0.093 (4)	0.047 (3)	0.064 (3)	−0.010 (3)	0.010 (3)	0.006 (2)
C29	0.076 (4)	0.047 (3)	0.054 (3)	−0.011 (3)	0.008 (3)	0.003 (2)
C30	0.087 (5)	0.083 (5)	0.098 (5)	0.003 (4)	−0.029 (4)	−0.038 (4)
C31	0.197 (9)	0.066 (4)	0.105 (6)	−0.031 (5)	−0.019 (6)	0.018 (4)

Geometric parameters (Å, º)

Zn—Ni	3.0757 (7)	C12—C13	1.401 (6)
Br1—Zn	2.3657 (7)	C13—C14	1.368 (6)
Br2—Zn	2.3391 (7)	C13—H13	0.93
Zn—O1	1.984 (2)	C14—C15	1.364 (6)
Zn—O2	2.012 (3)	C14—H14	0.93
Ni—N1	2.020 (3)	C15—C16	1.380 (6)
Ni—N2	2.027 (3)	C15—H15	0.93
Ni—O1	2.028 (3)	C16—C17	1.394 (5)
Ni—O2	2.026 (2)	C16—H16	0.93
Ni—N4	2.162 (3)	C18—C19	1.381 (6)
Ni—N3	2.268 (3)	C18—H18	0.93
O1—C1	1.329 (5)	C19—C20	1.386 (6)
O2—C17	1.322 (4)	C19—C23	1.503 (6)
N1—C7	1.277 (6)	C20—C21	1.381 (6)
N1—C8	1.484 (6)	C20—H20	0.93
N2—C11	1.273 (5)	C21—C22	1.386 (5)
N2—C10	1.457 (7)	C21—C24	1.503 (6)
N3—C22	1.340 (5)	C22—H22	0.93
N3—C18	1.337 (5)	C23—H231	0.96
N4—C29	1.329 (5)	C23—H232	0.96
N4—C25	1.337 (5)	C23—H233	0.96
C1—C2	1.386 (6)	C24—H241	0.96
C1—C6	1.415 (6)	C24—H242	0.96
C2—C3	1.365 (6)	C24—H243	0.96
C2—H2	0.93	C25—C26	1.388 (6)
C3—C4	1.366 (8)	C25—H25	0.93
C3—H3	0.93	C26—C27	1.361 (7)
C4—C5	1.366 (8)	C26—C30	1.522 (7)
C4—H4	0.93	C27—C28	1.376 (7)
C5—C6	1.399 (6)	C27—H27	0.93
C5—H5	0.93	C28—C29	1.374 (6)
C6—C7	1.437 (6)	C28—C31	1.509 (7)
C7—H7	0.93	C29—H29	0.93
C8—C91	1.367 (11)	C30—H301	0.96
C8—C92	1.578 (13)	C30—H302	0.96
C8—H81	0.907 (19)	C30—H303	0.96
C8—H82	0.915 (18)	C31—H311	0.96
C10—C92	1.314 (13)	C31—H312	0.96
C10—C91	1.522 (13)	C31—H313	0.96
C10—H101	0.94 (4)	C91—C92	0.995 (13)
C10—H102	0.95 (4)	C91—H911	0.97 (2)
C11—C12	1.446 (6)	C91—H912	0.96 (2)
C11—H11	0.93	C92—H923	0.97 (2)
C12—C17	1.407 (5)	C92—H922	0.97 (2)
O1—Zn—O2	80.68 (10)	C12—C13—H13	118.8
O1—Zn—Br2	115.61 (8)	C15—C14—C13	118.5 (4)
O2—Zn—Br2	113.62 (8)	C15—C14—H14	120.7
O1—Zn—Br1	112.23 (8)	C13—C14—H14	120.7
O2—Zn—Br1	110.53 (8)	C14—C15—C16	121.2 (4)
Br2—Zn—Br1	118.24 (3)	C14—C15—H15	119.4
Br2—Zn—Ni	119.03 (2)	C16—C15—H15	119.4
Br1—Zn—Ni	122.66 (2)	C15—C16—C17	121.2 (4)
N1—Ni—N2	98.90 (15)	C15—C16—H16	119.4
N1—Ni—O1	91.46 (13)	C17—C16—H16	119.4
N2—Ni—O1	169.64 (12)	O2—C17—C16	120.2 (4)
N1—Ni—O2	170.72 (14)	O2—C17—C12	121.7 (3)
N2—Ni—O2	90.32 (12)	C16—C17—C12	118.1 (4)
O1—Ni—O2	79.32 (10)	N3—C18—C19	125.2 (4)
N1—Ni—N4	91.74 (13)	N3—C18—H18	117.4
N2—Ni—N4	92.84 (14)	C19—C18—H18	117.4
O1—Ni—N4	86.72 (12)	C18—C19—C20	116.6 (4)
O2—Ni—N4	88.76 (12)	C18—C19—C23	121.6 (4)
N1—Ni—N3	87.42 (13)	C20—C19—C23	121.8 (4)
N2—Ni—N3	91.79 (13)	C19—C20—C21	120.7 (4)
O1—Ni—N3	88.75 (11)	C19—C20—H20	119.6
O2—Ni—N3	91.34 (11)	C21—C20—H20	119.6
N4—Ni—N3	175.37 (13)	C22—C21—C20	117.2 (4)
N1—Ni—Zn	130.69 (12)	C22—C21—C24	120.7 (4)
N2—Ni—Zn	130.23 (10)	C20—C21—C24	122.2 (4)
N4—Ni—Zn	83.06 (9)	N3—C22—C21	124.4 (4)
N3—Ni—Zn	94.03 (8)	N3—C22—H22	117.8
C1—O1—Zn	130.6 (3)	C21—C22—H22	117.8
C1—O1—Ni	126.8 (2)	C19—C23—H231	109.5
Zn—O1—Ni	100.09 (11)	C19—C23—H232	109.5
C17—O2—Zn	131.1 (2)	H231—C23—H232	109.5
C17—O2—Ni	129.6 (2)	C19—C23—H233	109.5
Zn—O2—Ni	99.24 (10)	H231—C23—H233	109.5
C7—N1—C8	117.6 (4)	H232—C23—H233	109.5
C7—N1—Ni	121.5 (3)	C21—C24—H241	109.5
C8—N1—Ni	120.7 (3)	C21—C24—H242	109.5
C11—N2—C10	115.5 (4)	H241—C24—H242	109.5
C11—N2—Ni	124.4 (3)	C21—C24—H243	109.5
C10—N2—Ni	120.1 (4)	H241—C24—H243	109.5
C22—N3—C18	116.0 (4)	H242—C24—H243	109.5
C22—N3—Ni	118.7 (3)	N4—C25—C26	123.7 (4)
C18—N3—Ni	125.3 (3)	N4—C25—H25	118.2
C29—N4—C25	116.7 (4)	C26—C25—H25	118.2
C29—N4—Ni	120.6 (3)	C27—C26—C25	117.2 (5)
C25—N4—Ni	122.2 (3)	C27—C26—C30	123.6 (5)
O1—C1—C2	120.4 (4)	C25—C26—C30	119.2 (5)
O1—C1—C6	120.9 (4)	C26—C27—C28	121.1 (5)
C2—C1—C6	118.6 (4)	C26—C27—H27	119.4
C3—C2—C1	121.0 (5)	C28—C27—H27	119.5
C3—C2—H2	119.5	C29—C28—C27	117.0 (5)
C1—C2—H2	119.5	C29—C28—C31	121.1 (5)
C2—C3—C4	121.6 (6)	C27—C28—C31	121.9 (5)
C2—C3—H3	119.2	N4—C29—C28	124.3 (5)
C4—C3—H3	119.2	N4—C29—H29	117.8
C5—C4—C3	118.5 (5)	C28—C29—H29	117.8
C5—C4—H4	120.8	C26—C30—H301	109.5
C3—C4—H4	120.8	C26—C30—H302	109.5
C4—C5—C6	122.4 (5)	H301—C30—H302	109.5
C4—C5—H5	118.8	C26—C30—H303	109.5
C6—C5—H5	118.8	H301—C30—H303	109.5
C5—C6—C1	117.9 (5)	H302—C30—H303	109.5
C5—C6—C7	116.7 (4)	C28—C31—H311	109.5
C1—C6—C7	125.5 (4)	C28—C31—H312	109.5
N1—C7—C6	129.6 (4)	H311—C31—H312	109.5
N1—C7—H7	115.2	C28—C31—H313	109.5
C6—C7—H7	115.2	H311—C31—H313	109.5
C91—C8—N1	114.0 (6)	H312—C31—H313	109.5
N1—C8—C92	114.8 (5)	C8—C91—C10	127.0 (9)
N1—C8—H81	97 (3)	C10—C91—H81	151 (2)
C92—C8—H81	98 (3)	C8—C91—H911	110 (5)
C91—C8—H82	121 (3)	C10—C91—H911	107 (5)
N1—C8—H82	102 (3)	H81—C91—H911	102 (5)
C92—C8—H82	84 (3)	C10—C91—H923	81 (3)
H81—C8—H82	159 (4)	H81—C91—H923	122 (4)
C92—C10—N2	117.5 (8)	C8—C91—H912	112 (5)
N2—C10—C91	117.3 (6)	C10—C91—H912	97 (5)
N2—C10—H101	99 (3)	H81—C91—H912	75 (5)
C91—C10—H101	92 (3)	H911—C91—H912	100 (7)
C92—C10—H102	103 (3)	H923—C91—H912	146 (6)
N2—C10—H102	97 (3)	C8—C91—H102	146 (2)
H101—C10—H102	155 (4)	H81—C91—H102	131 (2)
N2—C11—C12	129.1 (4)	C10—C92—C8	126.6 (10)
N2—C11—H11	115.5	C10—C92—H923	112 (5)
C12—C11—H11	115.5	C8—C92—H923	104 (5)
C17—C12—C13	118.5 (4)	C10—C92—H922	103 (5)
C17—C12—C11	124.7 (4)	C8—C92—H922	111 (5)
C13—C12—C11	116.8 (4)	H923—C92—H922	96 (7)
C14—C13—C12	122.5 (4)	C8—C92—H101	148 (3)
C14—C13—H13	118.8
O1—Zn—Ni—N1	−6.97 (17)	N2—Ni—N4—C29	−142.9 (3)
O2—Zn—Ni—N1	−177.36 (17)	O1—Ni—N4—C29	47.5 (3)
Br2—Zn—Ni—N1	89.42 (13)	O2—Ni—N4—C29	126.8 (3)
Br1—Zn—Ni—N1	−93.59 (13)	Zn—Ni—N4—C29	86.9 (3)
O1—Zn—Ni—N2	178.87 (18)	N1—Ni—N4—C25	144.4 (3)
O2—Zn—Ni—N2	8.47 (17)	N2—Ni—N4—C25	45.4 (3)
Br2—Zn—Ni—N2	−84.75 (13)	O1—Ni—N4—C25	−124.2 (3)
Br1—Zn—Ni—N2	92.24 (13)	O2—Ni—N4—C25	−44.8 (3)
O2—Zn—Ni—O1	−170.40 (17)	Zn—Ni—N4—C25	−84.8 (3)
Br2—Zn—Ni—O1	96.38 (12)	Zn—O1—C1—C2	−9.8 (5)
Br1—Zn—Ni—O1	−86.63 (12)	Ni—O1—C1—C2	−168.2 (3)
O1—Zn—Ni—O2	170.40 (17)	Zn—O1—C1—C6	172.4 (3)
Br2—Zn—Ni—O2	−93.22 (12)	Ni—O1—C1—C6	14.0 (5)
Br1—Zn—Ni—O2	83.77 (12)	O1—C1—C2—C3	179.8 (4)
O1—Zn—Ni—N4	−93.28 (15)	C6—C1—C2—C3	−2.4 (6)
O2—Zn—Ni—N4	96.32 (15)	C1—C2—C3—C4	−1.6 (7)
Br2—Zn—Ni—N4	3.10 (10)	C2—C3—C4—C5	3.5 (8)
Br1—Zn—Ni—N4	−179.91 (10)	C3—C4—C5—C6	−1.4 (8)
O1—Zn—Ni—N3	83.10 (14)	C4—C5—C6—C1	−2.4 (7)
O2—Zn—Ni—N3	−87.30 (14)	C4—C5—C6—C7	175.9 (4)
Br2—Zn—Ni—N3	179.48 (8)	O1—C1—C6—C5	−178.0 (4)
Br1—Zn—Ni—N3	−3.53 (8)	C2—C1—C6—C5	4.2 (6)
O2—Zn—O1—C1	−156.3 (3)	O1—C1—C6—C7	4.0 (6)
Br2—Zn—O1—C1	91.9 (3)	C2—C1—C6—C7	−173.9 (4)
Br1—Zn—O1—C1	−47.8 (3)	C8—N1—C7—C6	176.3 (4)
Ni—Zn—O1—C1	−162.6 (4)	Ni—N1—C7—C6	−8.8 (6)
O2—Zn—O1—Ni	6.31 (11)	C5—C6—C7—N1	175.2 (4)
Br2—Zn—O1—Ni	−105.51 (9)	C1—C6—C7—N1	−6.7 (7)
Br1—Zn—O1—Ni	114.78 (8)	C7—N1—C8—C91	138.9 (7)
N1—Ni—O1—C1	−21.7 (3)	Ni—N1—C8—C91	−36.0 (7)
N2—Ni—O1—C1	158.8 (6)	C7—N1—C8—C92	−178.5 (6)
O2—Ni—O1—C1	157.3 (3)	Ni—N1—C8—C92	6.6 (7)
N4—Ni—O1—C1	−113.4 (3)	C11—N2—C10—C92	152.5 (9)
N3—Ni—O1—C1	65.7 (3)	Ni—N2—C10—C92	−25.3 (11)
Zn—Ni—O1—C1	163.5 (3)	C11—N2—C10—C91	−162.0 (7)
N1—Ni—O1—Zn	174.72 (13)	Ni—N2—C10—C91	20.3 (10)
N2—Ni—O1—Zn	−4.8 (8)	C10—N2—C11—C12	−178.0 (5)
O2—Ni—O1—Zn	−6.29 (11)	Ni—N2—C11—C12	−0.3 (6)
N4—Ni—O1—Zn	83.06 (13)	N2—C11—C12—C17	2.0 (7)
N3—Ni—O1—Zn	−97.89 (12)	N2—C11—C12—C13	−178.9 (4)
O1—Zn—O2—C17	175.0 (3)	C17—C12—C13—C14	−1.6 (6)
Br2—Zn—O2—C17	−71.0 (3)	C11—C12—C13—C14	179.2 (4)
Br1—Zn—O2—C17	64.6 (3)	C12—C13—C14—C15	0.9 (7)
Ni—Zn—O2—C17	−178.7 (4)	C13—C14—C15—C16	−0.5 (7)
O1—Zn—O2—Ni	−6.30 (11)	C14—C15—C16—C17	0.9 (7)
Br2—Zn—O2—Ni	107.67 (8)	Zn—O2—C17—C16	−6.9 (5)
Br1—Zn—O2—Ni	−116.66 (8)	Ni—O2—C17—C16	174.8 (3)
N2—Ni—O2—C17	5.2 (3)	Zn—O2—C17—C12	173.3 (3)
O1—Ni—O2—C17	−175.1 (3)	Ni—O2—C17—C12	−5.1 (5)
N4—Ni—O2—C17	98.0 (3)	C15—C16—C17—O2	178.6 (4)
N3—Ni—O2—C17	−86.6 (3)	C15—C16—C17—C12	−1.6 (6)
Zn—Ni—O2—C17	178.7 (4)	C13—C12—C17—O2	−178.3 (3)
N2—Ni—O2—Zn	−173.54 (13)	C11—C12—C17—O2	0.8 (6)
O1—Ni—O2—Zn	6.19 (11)	C13—C12—C17—C16	1.9 (5)
N4—Ni—O2—Zn	−80.71 (13)	C11—C12—C17—C16	−179.0 (4)
N3—Ni—O2—Zn	94.66 (12)	C22—N3—C18—C19	0.6 (6)
N2—Ni—N1—C7	−162.0 (3)	Ni—N3—C18—C19	179.1 (3)
O1—Ni—N1—C7	18.1 (3)	N3—C18—C19—C20	0.0 (6)
N4—Ni—N1—C7	104.9 (3)	N3—C18—C19—C23	179.1 (5)
N3—Ni—N1—C7	−70.6 (3)	C18—C19—C20—C21	−0.3 (6)
Zn—Ni—N1—C7	22.5 (4)	C23—C19—C20—C21	−179.3 (5)
N2—Ni—N1—C8	12.7 (4)	C19—C20—C21—C22	−0.1 (6)
N4—Ni—N1—C8	−80.4 (3)	C19—C20—C21—C24	179.6 (4)
N3—Ni—N1—C8	104.2 (3)	C18—N3—C22—C21	−1.1 (6)
Zn—Ni—N1—C8	−162.7 (3)	Ni—N3—C22—C21	−179.7 (3)
N1—Ni—N2—C11	176.6 (3)	C20—C21—C22—N3	0.9 (6)
O1—Ni—N2—C11	−3.8 (9)	C24—C21—C22—N3	−178.9 (4)
O2—Ni—N2—C11	−2.4 (4)	C29—N4—C25—C26	1.4 (7)
N4—Ni—N2—C11	−91.1 (4)	Ni—N4—C25—C26	173.4 (3)
N3—Ni—N2—C11	89.0 (4)	N4—C25—C26—C27	−1.3 (7)
Zn—Ni—N2—C11	−7.8 (4)	N4—C25—C26—C30	−179.1 (5)
N1—Ni—N2—C10	−5.8 (5)	C25—C26—C27—C28	0.5 (8)
O1—Ni—N2—C10	173.7 (7)	C30—C26—C27—C28	178.2 (6)
O2—Ni—N2—C10	175.2 (5)	C26—C27—C28—C29	0.0 (8)
N4—Ni—N2—C10	86.4 (5)	C26—C27—C28—C31	−179.4 (7)
N3—Ni—N2—C10	−93.4 (5)	C25—N4—C29—C28	−0.8 (7)
Zn—Ni—N2—C10	169.7 (4)	Ni—N4—C29—C28	−172.9 (4)
N1—Ni—N3—C22	162.8 (3)	C27—C28—C29—N4	0.1 (8)
N2—Ni—N3—C22	−98.4 (3)	C31—C28—C29—N4	179.5 (6)
O1—Ni—N3—C22	71.3 (3)	N1—C8—C91—C92	100.2 (10)
O2—Ni—N3—C22	−8.0 (3)	N1—C8—C91—C10	59.8 (12)
Zn—Ni—N3—C22	32.2 (3)	N2—C10—C91—C92	−101.2 (12)
N1—Ni—N3—C18	−15.6 (3)	N2—C10—C91—C8	−52.4 (14)
N2—Ni—N3—C18	83.2 (3)	N2—C10—C92—C91	100.6 (11)
O1—Ni—N3—C18	−107.2 (3)	N2—C10—C92—C8	60.2 (15)
O2—Ni—N3—C18	173.5 (3)	N1—C8—C92—C91	−98.1 (10)
Zn—Ni—N3—C18	−146.3 (3)	N1—C8—C92—C10	−49.8 (13)
N1—Ni—N4—C29	−43.9 (4)