Poly[[diaqua­tris(μ₂-4,4′-bipyridine-κ²N,N′)tetra­kis­(phenyl­acetato-κO)dinickel(II)] dihydrate]

The polymeric title mol­ecule, {[Ni₂(C₈H₇O₂)₄(C₁₀H₈N₂)₃(H₂O)₂]·2H₂O}_n, lies on a center of symmetry at the mid-point of the C_pyridine—C_pyridine bond of one of the two 4,4′-bipyridine mol­ecules that link the adjacent aqua­nickel(II)–dicarboxyl­ate units into a linear chain. The other 4,4′-bipyridine mol­ecule connects adjacent chains into a square (C₁₀H₈N₂)₃Ni₂ grid. The ladder-like layer structure is disordered in all the organic groups bonded to the metal atom; the uncoordinated water mol­ecules inter­act within the layers through hydrogen bonds.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](O-C) = 0.006 Å
• Disorder in main residue
• R factor = 0.069
• wR factor = 0.196
• Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.10 Ratio
PLAT301_ALERT_3_B Main Residue  Disorder .........................      44.00 Perc.
PLAT417_ALERT_2_B Short Inter D-H..H-D       H1W2   ..  H2W2    ..       2.09 Ang.
PLAT731_ALERT_1_B Bond    Calc     0.85(5), Rep   0.850(10) ......       5.00 su-Rat
              O1W  -H1W1    1.555   1.555
PLAT731_ALERT_1_B Bond    Calc     0.85(6), Rep   0.850(10) ......       6.00 su-Rat
              O1W  -H1W2    1.555   1.555
PLAT735_ALERT_1_B D-H     Calc     0.85(5), Rep   0.850(10) ......       5.00 su-Rat
              O1W  -H1#     1.555   1.555
PLAT735_ALERT_1_B D-H     Calc     0.85(6), Rep   0.850(10) ......       6.00 su-Rat
              O1W  -H2#     1.555   1.555

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.747     0.965
            Tmin(prime) and Tmax expected:      0.895     0.965
            RR(prime) =      0.834
            Please check that your absorption correction is appropriate.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.83
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.85 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C5'
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C6'
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          6
PLAT731_ALERT_1_C Bond    Calc     0.85(3), Rep   0.850(10) ......       3.00 su-Rat
              O2W  -H2W1    1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     0.85(4), Rep   0.850(10) ......       4.00 su-Rat
              O2W  -H2W2    1.555   1.555
PLAT732_ALERT_1_C Angle   Calc      110(5), Rep      110(2) ......       2.50 su-Rat
              H1W1 -O1W  -H1W2    1.555   1.555   1.555
PLAT732_ALERT_1_C Angle   Calc      110(6), Rep      110(2) ......       3.00 su-Rat
              H2W1 -O2W  -H2W2    1.555   1.555   1.555
PLAT735_ALERT_1_C D-H     Calc     0.85(3), Rep   0.850(10) ......       3.00 su-Rat
              O2W  -H3#     1.555   1.555
PLAT735_ALERT_1_C D-H     Calc     0.85(4), Rep   0.850(10) ......       4.00 su-Rat
              O2W  -H4#     1.555   1.555
PLAT736_ALERT_1_C H...A   Calc     1.87(5), Rep     1.87(2) ......       2.50 su-Rat
              H1#  -O2      1.555   1.555
PLAT736_ALERT_1_C H...A   Calc     1.96(6), Rep     1.97(2) ......       3.00 su-Rat
              H2#  -O2W     1.555   1.555

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

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

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Computing details

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Poly[[diaquatris(µ₂-4,4'-bipyridine-κ²N,N')tetrakis(phenylacetato- κO)dinickel(II)] dihydrate]

Crystal data

[Ni2(C8H7O2)4(C10H8N2)3(H2O)2]·2H2O	Z = 1
Mr = 1198.58	F(000) = 626
Triclinic, P1	Dx = 1.375 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.1103 (6) Å	Cell parameters from 4355 reflections
b = 11.2803 (6) Å	θ = 2.6–25.7°
c = 13.2962 (8) Å	µ = 0.72 mm^−1
α = 83.458 (1)°	T = 295 K
β = 83.829 (1)°	Plate, pale green
γ = 74.640 (1)°	0.15 × 0.14 × 0.05 mm
V = 1448.0 (1) Å^3

Data collection

Bruker SMART APEX area-detector diffractometer	6386 independent reflections
Radiation source: fine-focus sealed tube	5230 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.020
φ and ω scans	θmax = 27.5°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −13→12
Tmin = 0.747, Tmax = 0.965	k = −14→14
12473 measured reflections	l = −16→16

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.069	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.196	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ^2(Fo^2) + (0.1075P)^2 + 1.8386P] where P = (Fo^2 + 2Fc^2)/3
6386 reflections	(Δ/σ)max = 0.001
446 parameters	Δρmax = 0.75 e Å^−3
392 restraints	Δρmin = −0.65 e Å^−3

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ni1	0.61421 (5)	0.66199 (4)	0.70165 (4)	0.0380 (2)
O1	0.7780 (3)	0.6451 (3)	0.5927 (3)	0.0473 (7)
O2	0.6930 (5)	0.6324 (6)	0.4494 (4)	0.118 (2)
O3	0.4632 (3)	0.7001 (3)	0.8184 (3)	0.0507 (8)
O4	0.2584 (4)	0.6697 (4)	0.8051 (3)	0.0618 (9)
O1w	0.4803 (4)	0.7080 (3)	0.5861 (3)	0.0556 (9)
H1w1	0.533 (5)	0.691 (6)	0.533 (3)	0.08 (2)*
H1w2	0.417 (5)	0.670 (6)	0.591 (4)	0.09 (2)*
O2w	0.2467 (6)	0.6153 (5)	0.6130 (4)	0.0965 (16)
H2w1	0.282 (8)	0.539 (2)	0.608 (5)	0.11 (3)*
H2w2	0.244 (8)	0.631 (6)	0.674 (2)	0.10 (3)*
C1	0.7852 (5)	0.6432 (4)	0.4989 (4)	0.0616 (14)
C2	0.9177 (17)	0.6615 (12)	0.441 (3)	0.060 (10)	0.50
H2a	0.9376	0.6194	0.3794	0.072*	0.50
H2b	0.9950	0.6314	0.4827	0.072*	0.50
C3	0.8872 (8)	0.8007 (5)	0.4170 (6)	0.065 (3)	0.50
C4	0.7902 (8)	0.8589 (7)	0.3488 (5)	0.066 (3)	0.50
H4	0.7463	0.8125	0.3168	0.080*	0.50
C5	0.7587 (8)	0.9864 (7)	0.3282 (6)	0.078 (4)	0.50
H5	0.6937	1.0254	0.2826	0.094*	0.50
C6	0.8243 (10)	1.0557 (5)	0.3759 (7)	0.076 (4)	0.50
H6	0.8032	1.1411	0.3622	0.091*	0.50
C7	0.9213 (9)	0.9975 (7)	0.4442 (7)	0.077 (3)	0.50
H7	0.9652	1.0439	0.4761	0.092*	0.50
C8	0.9528 (7)	0.8700 (7)	0.4647 (5)	0.064 (3)	0.50
H8	1.0178	0.8311	0.5104	0.077*	0.50
C2'	0.915 (2)	0.6682 (17)	0.441 (4)	0.081 (15)	0.50
H2'a	0.9475	0.6057	0.3935	0.098*	0.50
H2'b	0.9836	0.6528	0.4899	0.098*	0.50
C3'	0.9173 (9)	0.7914 (7)	0.3817 (7)	0.074 (4)	0.50
C4'	1.0083 (9)	0.7975 (8)	0.2963 (7)	0.089 (4)	0.50
H4'	1.0631	0.7253	0.2712	0.107*	0.50
C5'	1.0173 (11)	0.9116 (10)	0.2484 (7)	0.125 (6)	0.50
H5'	1.0782	0.9157	0.1912	0.150*	0.50
C6'	0.9354 (12)	1.0195 (8)	0.2859 (9)	0.110 (5)	0.50
H6'	0.9415	1.0958	0.2539	0.132*	0.50
C7'	0.8445 (10)	1.0133 (7)	0.3714 (9)	0.081 (4)	0.50
H7'	0.7897	1.0855	0.3965	0.097*	0.50
C8'	0.8354 (9)	0.8993 (8)	0.4193 (6)	0.075 (3)	0.50
H8'	0.7746	0.8952	0.4764	0.090*	0.50
C9	0.3370 (4)	0.7127 (4)	0.8451 (3)	0.0412 (9)
C10	0.3028 (16)	0.7622 (10)	0.9482 (7)	0.058 (3)	0.50
H10A	0.3596	0.7062	0.9968	0.070*	0.50
H10B	0.2074	0.7655	0.9703	0.070*	0.50
C11	0.3258 (7)	0.8902 (5)	0.9472 (5)	0.053 (2)	0.50
C12	0.4582 (6)	0.9060 (6)	0.9426 (6)	0.062 (3)	0.50
H12	0.5338	0.8381	0.9380	0.074*	0.50
C13	0.4775 (9)	1.0231 (8)	0.9447 (6)	0.083 (4)	0.50
H13	0.5660	1.0337	0.9416	0.100*	0.50
C14	0.3644 (12)	1.1245 (5)	0.9515 (7)	0.094 (4)	0.50
H14	0.3773	1.2029	0.9529	0.112*	0.50
C15	0.2320 (10)	1.1088 (6)	0.9562 (8)	0.111 (5)	0.50
H15	0.1564	1.1766	0.9607	0.133*	0.50
C16	0.2127 (6)	0.9916 (8)	0.9540 (7)	0.096 (4)	0.50
H16	0.1242	0.9811	0.9572	0.115*	0.50
C10'	0.2714 (12)	0.8064 (11)	0.9233 (8)	0.051 (3)	0.50
H10c	0.3334	0.7926	0.9767	0.061*	0.50
H10d	0.2681	0.8881	0.8899	0.061*	0.50
C11'	0.1291 (5)	0.8088 (7)	0.9736 (5)	0.051 (2)	0.50
C12'	0.1141 (7)	0.7712 (8)	1.0765 (5)	0.079 (3)	0.50
H12'	0.1911	0.7439	1.1136	0.095*	0.50
C13'	−0.0160 (9)	0.7744 (10)	1.1240 (5)	0.101 (5)	0.50
H13'	−0.0261	0.7492	1.1929	0.121*	0.50
C14'	−0.1311 (7)	0.8152 (10)	1.0686 (7)	0.097 (4)	0.50
H14'	−0.2182	0.8173	1.1004	0.116*	0.50
C15'	−0.1161 (6)	0.8528 (9)	0.9657 (7)	0.093 (4)	0.50
H15'	−0.1931	0.8801	0.9286	0.112*	0.50
C16'	0.0140 (7)	0.8496 (8)	0.9182 (4)	0.073 (3)	0.50
H16'	0.0240	0.8748	0.8494	0.087*	0.50
N1	0.6085 (6)	0.8496 (3)	0.7010 (4)	0.0378 (8)	0.50
C17	0.6008 (6)	0.9028 (4)	0.7915 (3)	0.0413 (13)	0.50
H17	0.5985	0.8551	0.8532	0.050*	0.50
C18	0.5965 (7)	1.0272 (4)	0.7897 (3)	0.0432 (13)	0.50
H18	0.5913	1.0628	0.8502	0.052*	0.50
C19	0.5999 (6)	1.0984 (3)	0.6974 (4)	0.0329 (10)	0.50
C20	0.6076 (6)	1.0452 (4)	0.6070 (3)	0.0381 (12)	0.50
H20	0.6099	1.0928	0.5452	0.046*	0.50
C21	0.6119 (6)	0.9208 (4)	0.6088 (3)	0.0399 (12)	0.50
H21	0.6171	0.8852	0.5482	0.048*	0.50
N1'	0.6243 (5)	0.8479 (3)	0.6923 (4)	0.0378 (8)	0.50
C17'	0.7453 (4)	0.8784 (4)	0.7061 (4)	0.0413 (13)	0.50
H17'	0.8257	0.8164	0.7154	0.050*	0.50
C18'	0.7462 (4)	1.0014 (4)	0.7060 (5)	0.0432 (13)	0.50
H18'	0.8271	1.0218	0.7152	0.052*	0.50
C19'	0.6260 (5)	1.0940 (3)	0.6921 (5)	0.0329 (10)	0.50
C20'	0.5051 (4)	1.0635 (3)	0.6784 (5)	0.0381 (12)	0.50
H20'	0.4247	1.1255	0.6691	0.046*	0.50
C21'	0.5042 (4)	0.9405 (4)	0.6785 (4)	0.0399 (12)	0.50
H21'	0.4233	0.9201	0.6692	0.048*	0.50
N2	0.6097 (7)	1.4762 (3)	0.6966 (4)	0.0416 (9)	0.50
C22	0.5359 (7)	1.4218 (5)	0.7743 (3)	0.0337 (16)	0.50
H22	0.4900	1.4668	0.8278	0.040*	0.50
C23	0.5307 (7)	1.3003 (6)	0.7720 (4)	0.046 (2)	0.50
H23	0.4813	1.2639	0.8239	0.055*	0.50
C24	0.5993 (8)	1.2331 (4)	0.6920 (5)	0.0302 (12)	0.50
C25	0.6731 (6)	1.2875 (4)	0.6144 (4)	0.0408 (13)	0.50
H25	0.7190	1.2426	0.5609	0.049*	0.50
C26	0.6783 (6)	1.4091 (4)	0.6167 (4)	0.0433 (13)	0.50
H26	0.7277	1.4455	0.5647	0.052*	0.50
N2'	0.6154 (6)	1.4742 (3)	0.7108 (4)	0.0416 (9)	0.50
C22'	0.4992 (5)	1.4323 (5)	0.7435 (4)	0.0337 (16)	0.50
H22'	0.4188	1.4869	0.7673	0.040*	0.50
C23'	0.5030 (5)	1.3086 (6)	0.7404 (5)	0.046 (2)	0.50
H23'	0.4252	1.2806	0.7622	0.055*	0.50
C24'	0.6231 (7)	1.2269 (4)	0.7047 (5)	0.0302 (12)	0.50
C25'	0.7394 (5)	1.2688 (4)	0.6721 (5)	0.0408 (13)	0.50
H25'	0.8197	1.2142	0.6482	0.049*	0.50
C26'	0.7356 (5)	1.3925 (4)	0.6752 (4)	0.0433 (13)	0.50
H26'	0.8134	1.4205	0.6533	0.052*	0.50
N3	0.7665 (5)	0.6001 (7)	0.8081 (6)	0.0435 (12)	0.50
C27	0.7231 (5)	0.5845 (8)	0.9104 (6)	0.0324 (18)	0.50
H27	0.6297	0.6070	0.9313	0.039*	0.50
C28	0.8191 (7)	0.5352 (7)	0.9813 (4)	0.0419 (12)	0.50
H28	0.7900	0.5248	1.0498	0.050*	0.50
C29	0.9585 (7)	0.5016 (6)	0.9500 (4)	0.0361 (17)	0.50
C30	1.0020 (5)	0.5172 (6)	0.8477 (4)	0.0434 (13)	0.50
H30	1.0953	0.4947	0.8267	0.052*	0.50
C31	0.9060 (6)	0.5665 (6)	0.7767 (3)	0.0418 (13)	0.50
H31	0.9351	0.5769	0.7083	0.050*	0.50
N3'	1.2467 (6)	0.3857 (7)	1.1798 (6)	0.0435 (12)	0.50
C27'	1.2826 (6)	0.4474 (8)	1.0887 (7)	0.0324 (18)	0.50
H27'	1.3680	0.4652	1.0781	0.039*	0.50
C28'	1.1909 (8)	0.4825 (7)	1.0134 (5)	0.0419 (12)	0.50
H28'	1.2149	0.5238	0.9525	0.050*	0.50
C29'	1.0633 (7)	0.4558 (6)	1.0293 (4)	0.0361 (17)	0.50
C30'	1.0273 (5)	0.3941 (6)	1.1205 (4)	0.0434 (13)	0.50
H30'	0.9419	0.3763	1.1311	0.052*	0.50
C31'	1.1190 (6)	0.3590 (6)	1.1957 (4)	0.0418 (13)	0.50
H31'	1.0950	0.3177	1.2567	0.050*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ni1	0.0387 (3)	0.0182 (3)	0.0607 (4)	−0.00821 (19)	−0.0175 (2)	−0.0031 (2)
O1	0.0501 (17)	0.0323 (15)	0.063 (2)	−0.0126 (13)	−0.0166 (14)	−0.0018 (13)
O2	0.082 (3)	0.163 (5)	0.117 (4)	−0.004 (3)	−0.034 (3)	−0.093 (4)
O3	0.0439 (17)	0.0378 (16)	0.072 (2)	−0.0054 (13)	−0.0129 (15)	−0.0161 (15)
O4	0.057 (2)	0.075 (2)	0.065 (2)	−0.0296 (18)	0.0016 (16)	−0.0298 (18)
O1w	0.0508 (19)	0.0473 (19)	0.073 (2)	−0.0053 (16)	−0.0256 (18)	−0.0204 (17)
O2w	0.111 (4)	0.100 (4)	0.079 (3)	−0.006 (3)	−0.029 (3)	−0.039 (3)
C1	0.061 (3)	0.048 (3)	0.074 (3)	0.005 (2)	−0.021 (3)	−0.030 (2)
C2	0.070 (13)	0.045 (10)	0.052 (12)	0.013 (6)	−0.009 (7)	−0.010 (7)
C3	0.070 (6)	0.054 (6)	0.056 (6)	0.013 (5)	−0.010 (5)	−0.015 (5)
C4	0.063 (6)	0.082 (7)	0.047 (5)	−0.008 (5)	−0.004 (4)	−0.001 (5)
C5	0.071 (6)	0.082 (7)	0.063 (6)	0.002 (6)	−0.001 (5)	0.021 (5)
C6	0.073 (7)	0.044 (6)	0.099 (8)	0.002 (5)	−0.003 (6)	−0.005 (6)
C7	0.071 (6)	0.077 (7)	0.084 (7)	−0.023 (6)	0.002 (6)	−0.009 (6)
C8	0.050 (5)	0.073 (6)	0.061 (6)	−0.001 (5)	−0.004 (4)	−0.009 (5)
C2'	0.087 (17)	0.077 (17)	0.071 (17)	−0.004 (10)	−0.004 (10)	−0.014 (10)
C3'	0.086 (8)	0.064 (7)	0.077 (8)	−0.013 (6)	−0.046 (7)	−0.007 (6)
C4'	0.083 (7)	0.105 (8)	0.074 (7)	−0.028 (7)	−0.006 (6)	0.026 (6)
C5'	0.102 (9)	0.146 (11)	0.127 (10)	−0.048 (9)	−0.006 (8)	0.020 (9)
C6'	0.112 (9)	0.104 (9)	0.126 (10)	−0.049 (8)	−0.045 (8)	0.028 (8)
C7'	0.080 (8)	0.050 (7)	0.114 (9)	−0.018 (6)	−0.016 (7)	0.002 (6)
C8'	0.077 (7)	0.063 (6)	0.094 (7)	−0.027 (5)	−0.021 (6)	−0.004 (6)
C9	0.055 (2)	0.034 (2)	0.039 (2)	−0.0187 (18)	−0.0078 (18)	0.0004 (16)
C10	0.072 (7)	0.071 (7)	0.041 (5)	−0.040 (6)	0.001 (5)	−0.004 (5)
C11	0.062 (5)	0.055 (5)	0.038 (4)	−0.005 (4)	−0.003 (4)	−0.016 (4)
C12	0.077 (6)	0.062 (6)	0.055 (5)	−0.027 (5)	0.005 (5)	−0.022 (4)
C13	0.118 (9)	0.082 (7)	0.067 (6)	−0.050 (7)	0.003 (6)	−0.028 (6)
C14	0.147 (10)	0.074 (7)	0.061 (6)	−0.027 (7)	−0.004 (7)	−0.016 (6)
C15	0.138 (10)	0.080 (8)	0.100 (9)	0.007 (8)	−0.024 (8)	−0.023 (7)
C16	0.097 (8)	0.090 (8)	0.100 (8)	−0.006 (7)	−0.012 (7)	−0.038 (7)
C10'	0.060 (6)	0.060 (6)	0.038 (5)	−0.022 (5)	−0.002 (5)	−0.011 (5)
C11'	0.051 (5)	0.047 (5)	0.051 (5)	−0.008 (4)	0.008 (4)	−0.020 (4)
C12'	0.078 (7)	0.086 (7)	0.058 (6)	0.000 (6)	0.009 (5)	−0.009 (5)
C13'	0.105 (9)	0.105 (9)	0.079 (7)	−0.016 (7)	0.025 (7)	−0.005 (7)
C14'	0.084 (8)	0.107 (9)	0.097 (8)	−0.025 (7)	0.028 (7)	−0.031 (7)
C15'	0.071 (7)	0.113 (9)	0.092 (8)	−0.014 (6)	0.005 (6)	−0.029 (7)
C16'	0.060 (6)	0.083 (7)	0.068 (6)	−0.010 (5)	0.002 (5)	−0.007 (5)
N1	0.053 (2)	0.0208 (14)	0.044 (2)	−0.0116 (14)	−0.0157 (17)	−0.0036 (13)
C17	0.052 (3)	0.026 (2)	0.048 (3)	−0.012 (2)	−0.007 (3)	−0.002 (2)
C18	0.056 (3)	0.029 (3)	0.048 (3)	−0.015 (2)	−0.008 (3)	−0.006 (2)
C19	0.040 (3)	0.0220 (17)	0.038 (2)	−0.0092 (16)	−0.0025 (18)	−0.0044 (14)
C20	0.043 (3)	0.025 (2)	0.047 (3)	−0.008 (2)	−0.011 (2)	−0.003 (2)
C21	0.047 (3)	0.025 (2)	0.052 (3)	−0.011 (2)	−0.014 (2)	−0.006 (2)
N1'	0.053 (2)	0.0208 (14)	0.044 (2)	−0.0116 (14)	−0.0157 (17)	−0.0036 (13)
C17'	0.052 (3)	0.026 (2)	0.048 (3)	−0.012 (2)	−0.007 (3)	−0.002 (2)
C18'	0.056 (3)	0.029 (3)	0.048 (3)	−0.015 (2)	−0.008 (3)	−0.006 (2)
C19'	0.040 (3)	0.0220 (17)	0.038 (2)	−0.0092 (16)	−0.0025 (18)	−0.0044 (14)
C20'	0.043 (3)	0.025 (2)	0.047 (3)	−0.008 (2)	−0.011 (2)	−0.003 (2)
C21'	0.047 (3)	0.025 (2)	0.052 (3)	−0.011 (2)	−0.014 (2)	−0.006 (2)
N2	0.0402 (18)	0.0214 (15)	0.065 (3)	−0.0084 (13)	−0.0030 (18)	−0.0102 (16)
C22	0.049 (4)	0.024 (2)	0.027 (4)	−0.008 (2)	−0.006 (3)	0.000 (2)
C23	0.058 (4)	0.030 (2)	0.050 (5)	−0.017 (3)	0.008 (4)	−0.003 (3)
C24	0.038 (3)	0.0227 (17)	0.033 (2)	−0.0083 (17)	−0.014 (2)	0.0000 (15)
C25	0.050 (3)	0.026 (2)	0.047 (3)	−0.012 (2)	0.006 (2)	−0.008 (2)
C26	0.050 (3)	0.030 (3)	0.053 (3)	−0.016 (2)	−0.002 (2)	−0.004 (3)
N2'	0.0402 (18)	0.0214 (15)	0.065 (3)	−0.0084 (13)	−0.0030 (18)	−0.0102 (16)
C22'	0.049 (4)	0.024 (2)	0.027 (4)	−0.008 (2)	−0.006 (3)	0.000 (2)
C23'	0.058 (4)	0.030 (2)	0.050 (5)	−0.017 (3)	0.008 (4)	−0.003 (3)
C24'	0.038 (3)	0.0227 (17)	0.033 (2)	−0.0083 (17)	−0.014 (2)	0.0000 (15)
C25'	0.050 (3)	0.026 (2)	0.047 (3)	−0.012 (2)	0.006 (2)	−0.008 (2)
C26'	0.050 (3)	0.030 (3)	0.053 (3)	−0.016 (2)	−0.002 (2)	−0.004 (3)
N3	0.039 (2)	0.039 (2)	0.055 (3)	−0.0154 (18)	−0.0182 (19)	0.012 (2)
C27	0.038 (2)	0.015 (5)	0.050 (2)	−0.015 (2)	−0.0113 (18)	0.000 (3)
C28	0.043 (2)	0.041 (3)	0.046 (2)	−0.020 (2)	−0.0105 (18)	0.0103 (19)
C29	0.032 (3)	0.035 (4)	0.035 (3)	−0.001 (3)	−0.003 (2)	0.001 (3)
C30	0.037 (3)	0.051 (3)	0.043 (3)	−0.015 (3)	−0.008 (2)	0.007 (2)
C31	0.044 (3)	0.042 (3)	0.042 (3)	−0.016 (3)	−0.010 (2)	0.005 (2)
N3'	0.039 (2)	0.039 (2)	0.055 (3)	−0.0154 (18)	−0.0182 (19)	0.012 (2)
C27'	0.038 (2)	0.015 (5)	0.050 (2)	−0.015 (2)	−0.0113 (18)	0.000 (3)
C28'	0.043 (2)	0.041 (3)	0.046 (2)	−0.020 (2)	−0.0105 (18)	0.0103 (19)
C29'	0.032 (3)	0.035 (4)	0.035 (3)	−0.001 (3)	−0.003 (2)	0.001 (3)
C30'	0.037 (3)	0.051 (3)	0.043 (3)	−0.015 (3)	−0.008 (2)	0.007 (2)
C31'	0.044 (3)	0.042 (3)	0.042 (3)	−0.016 (3)	−0.010 (2)	0.005 (2)

Geometric parameters (Å, º)

Ni1—O1	2.063 (3)	C14'—C15'	1.3900
Ni1—O3	2.054 (3)	C14'—H14'	0.9300
Ni1—O1w	2.087 (3)	C15'—C16'	1.3900
Ni1—N1	2.100 (3)	C15'—H15'	0.9300
Ni1—N2^i	2.117 (4)	C16'—H16'	0.9300
Ni1—N3	2.130 (4)	N1—C17	1.3900
Ni1—N1'	2.116 (3)	N1—C21	1.3900
Ni1—N2'^i	2.105 (4)	C17—C18	1.3900
Ni1—N3'^ii	2.153 (5)	C17—H17	0.9300
O1—C1	1.244 (6)	C18—C19	1.3900
O2—C1	1.235 (7)	C18—H18	0.9300
O3—C9	1.262 (5)	C19—C20	1.3900
O4—C9	1.226 (5)	C19—C24	1.512 (4)
O1w—H1w1	0.85 (1)	C20—C21	1.3900
O1w—H1w2	0.85 (1)	C20—H20	0.9300
O2w—H2w1	0.85 (1)	C21—H21	0.9300
O2w—H2w2	0.85 (1)	N1'—C17'	1.3900
C1—C2	1.523 (9)	N1'—C21'	1.3900
C1—C2'	1.524 (9)	C17'—C18'	1.3900
C2—C3	1.521 (11)	C17'—H17'	0.9300
C2—H2a	0.9700	C18'—C19'	1.3900
C2—H2b	0.9700	C18'—H18'	0.9300
C3—C4	1.3900	C19'—C20'	1.3900
C3—C8	1.3900	C19'—C24'	1.520 (4)
C4—C5	1.3900	C20'—C21'	1.3900
C4—H4	0.9300	C20'—H20'	0.9300
C5—C6	1.3900	C21'—H21'	0.9300
C5—H5	0.9300	N2—C22	1.3900
C6—C7	1.3900	N2—C26	1.3900
C6—H6	0.9300	N2—Ni1^iii	2.117 (4)
C7—C8	1.3900	C22—C23	1.3900
C7—H7	0.9300	C22—H22	0.9300
C8—H8	0.9300	C23—C24	1.3900
C2'—C3'	1.522 (11)	C23—H23	0.9300
C2'—H2'a	0.9700	C24—C25	1.3900
C2'—H2'b	0.9700	C25—C26	1.3900
C3'—C4'	1.3900	C25—H25	0.9300
C3'—C8'	1.3900	C26—H26	0.9300
C4'—C5'	1.3900	N2'—C22'	1.3900
C4'—H4'	0.9300	N2'—C26'	1.3900
C5'—C6'	1.3900	N2'—Ni1^iii	2.105 (4)
C5'—H5'	0.9300	C22'—C23'	1.3900
C6'—C7'	1.3900	C22'—H22'	0.9300
C6'—H6'	0.9300	C23'—C24'	1.3900
C7'—C8'	1.3900	C23'—H23'	0.9300
C7'—H7'	0.9300	C24'—C25'	1.3900
C8'—H8'	0.9300	C25'—C26'	1.3900
C9—C10	1.510 (8)	C25'—H25'	0.9300
C9—C10'	1.539 (8)	C26'—H26'	0.9300
C10—C11	1.521 (10)	N3—C27	1.3900
C10—H10a	0.9700	N3—C31	1.3900
C10—H10b	0.9700	C27—C28	1.3900
C11—C12	1.3900	C27—H27	0.9300
C11—C16	1.3900	C28—C29	1.3900
C12—C13	1.3900	C28—H28	0.9300
C12—H12	0.9300	C29—C30	1.3900
C13—C14	1.3900	C29—C29'	1.526 (4)
C13—H13	0.9300	C30—C31	1.3900
C14—C15	1.3900	C30—H30	0.9300
C14—H14	0.9300	C31—H31	0.9300
C15—C16	1.3900	N3'—C27'	1.3900
C15—H15	0.9300	N3'—C31'	1.3900
C16—H16	0.9300	N3'—Ni1^ii	2.153 (5)
C10'—C11'	1.515 (10)	C27'—C28'	1.3900
C10'—H10c	0.9700	C27'—H27'	0.9300
C10'—H10d	0.9700	C28'—C29'	1.3900
C11'—C12'	1.3900	C28'—H28'	0.9300
C11'—C16'	1.3900	C29'—C30'	1.3900
C12'—C13'	1.3900	C30'—C31'	1.3900
C12'—H12'	0.9300	C30'—H30'	0.9300
C13'—C14'	1.3900	C31'—H31'	0.9300
C13'—H13'	0.9300
O1—Ni1—O3	170.8 (1)	H10c—C10'—H10d	107.0
O1—Ni1—O1w	89.1 (2)	C12'—C11'—C16'	120.0
O1—Ni1—N1	88.7 (2)	C12'—C11'—C10'	119.4 (7)
O1—Ni1—N2^i	92.0 (2)	C16'—C11'—C10'	120.6 (7)
O1—Ni1—N3	85.5 (2)	C11'—C12'—C13'	120.0
O3—Ni1—O1w	95.6 (2)	C11'—C12'—H12'	120.0
O3—Ni1—N1	83.5 (2)	C13'—C12'—H12'	120.0
O3—Ni1—N2^i	96.1 (2)	C14'—C13'—C12'	120.0
O3—Ni1—N3	90.3 (2)	C14'—C13'—H13'	120.0
O1w—Ni1—N1	89.2 (2)	C12'—C13'—H13'	120.0
O1w—Ni1—N2^i	87.4 (2)	C15'—C14'—C13'	120.0
O1w—Ni1—N3	173.2 (2)	C15'—C14'—H14'	120.0
N1—Ni1—N2^i	176.5 (2)	C13'—C14'—H14'	120.0
N1—Ni1—N3	94.8 (3)	C14'—C15'—C16'	120.0
N2^i—Ni1—N3	88.7 (3)	C14'—C15'—H15'	120.0
O3—Ni1—N2'^i	93.6 (2)	C16'—C15'—H15'	120.0
O1—Ni1—N2'^i	94.2 (2)	C15'—C16'—C11'	120.0
O1w—Ni1—N2'^i	92.4 (2)	C15'—C16'—H16'	120.0
N1—Ni1—N2'^i	176.8 (2)	C11'—C16'—H16'	120.0
O3—Ni1—N1'	88.4 (2)	C17—N1—C21	120.0
O1—Ni1—N1'	83.7 (2)	C17—N1—Ni1	120.8 (3)
O1w—Ni1—N1'	89.6 (2)	C21—N1—Ni1	119.2 (3)
N2'^i—Ni1—N1'	177.0 (2)	N1—C17—C18	120.0
N2^i—Ni1—N1'	174.8 (2)	N1—C17—H17	120.0
N2'^i—Ni1—N3	83.9 (3)	C18—C17—H17	120.0
N1'—Ni1—N3	93.9 (3)	C17—C18—C19	120.0
O3—Ni1—N3'^ii	84.8 (2)	C17—C18—H18	120.0
O1—Ni1—N3'^ii	90.5 (2)	C19—C18—H18	120.0
O1w—Ni1—N3'^ii	179.6 (2)	C20—C19—C18	120.0
N1—Ni1—N3'^ii	90.8 (3)	C20—C19—C24	118.3 (4)
N2'^i—Ni1—N3'^ii	87.6 (3)	C18—C19—C24	121.7 (4)
N2^i—Ni1—N3'^ii	92.6 (3)	C21—C20—C19	120.0
N1'—Ni1—N3'^ii	90.4 (2)	C21—C20—H20	120.0
N3—Ni1—N3'^ii	6.5 (4)	C19—C20—H20	120.0
C1—O1—Ni1	131.9 (3)	C20—C21—N1	120.0
C9—O3—Ni1	145.2 (3)	C20—C21—H21	120.0
Ni1—O1w—H1w1	103 (4)	N1—C21—H21	120.0
Ni1—O1w—H1w2	116 (5)	C17'—N1'—C21'	120.0
H1w1—O1w—H1w2	110 (2)	C17'—N1'—Ni1	121.5 (2)
H2w1—O2w—H2w2	110 (2)	C21'—N1'—Ni1	118.4 (2)
O2—C1—O1	125.7 (5)	C18'—C17'—N1'	120.0
O2—C1—C2	118.1 (18)	C18'—C17'—H17'	120.0
O1—C1—C2	116.2 (18)	N1'—C17'—H17'	120.0
O2—C1—C2'	118 (2)	C19'—C18'—C17'	120.0
O1—C1—C2'	116 (2)	C19'—C18'—H18'	120.0
C1—C2—C3	103.3 (7)	C17'—C18'—H18'	120.0
C1—C2—H2a	111.1	C18'—C19'—C20'	120.0
C3—C2—H2a	111.1	C18'—C19'—C24'	119.7 (4)
C1—C2—H2b	111.1	C20'—C19'—C24'	119.9 (4)
C3—C2—H2b	111.1	C21'—C20'—C19'	120.0
H2a—C2—H2b	109.1	C21'—C20'—H20'	120.0
C4—C3—C8	120.0	C19'—C20'—H20'	120.0
C4—C3—C2	119.5 (17)	C20'—C21'—N1'	120.0
C8—C3—C2	120.5 (17)	C20'—C21'—H21'	120.0
C3—C4—C5	120.0	N1'—C21'—H21'	120.0
C3—C4—H4	120.0	C22—N2—C26	120.0
C5—C4—H4	120.0	C22—N2—Ni1^iii	119.1 (3)
C6—C5—C4	120.0	C26—N2—Ni1^iii	120.9 (3)
C6—C5—H5	120.0	C23—C22—N2	120.0
C4—C5—H5	120.0	C23—C22—H22	120.0
C7—C6—C5	120.0	N2—C22—H22	120.0
C7—C6—H6	120.0	C22—C23—C24	120.0
C5—C6—H6	120.0	C22—C23—H23	120.0
C6—C7—C8	120.0	C24—C23—H23	120.0
C6—C7—H7	120.0	C25—C24—C23	120.0
C8—C7—H7	120.0	C25—C24—C19	122.0 (5)
C7—C8—C3	120.0	C23—C24—C19	117.8 (4)
C7—C8—H8	120.0	C24—C25—C26	120.0
C3—C8—H8	120.0	C24—C25—H25	120.0
C1—C2'—C3'	122.7 (10)	C26—C25—H25	120.0
C1—C2'—H2'a	106.6	C25—C26—N2	120.0
C3'—C2'—H2'a	106.6	C25—C26—H26	120.0
C1—C2'—H2'b	106.6	N2—C26—H26	120.0
C3'—C2'—H2'b	106.6	C22'—N2'—C26'	120.0
H2'a—C2'—H2'b	106.6	C22'—N2'—Ni1^iii	122.5 (3)
C4'—C3'—C8'	120.0	C26'—N2'—Ni1^iii	117.3 (3)
C4'—C3'—C2'	120.9 (12)	C23'—C22'—N2'	120.0
C8'—C3'—C2'	118.9 (14)	C23'—C22'—H22'	120.0
C5'—C4'—C3'	120.0	N2'—C22'—H22'	120.0
C5'—C4'—H4'	120.0	C22'—C23'—C24'	120.0
C3'—C4'—H4'	120.0	C22'—C23'—H23'	120.0
C4'—C5'—C6'	120.0	C24'—C23'—H23'	120.0
C4'—C5'—H5'	120.0	C25'—C24'—C23'	120.0
C6'—C5'—H5'	120.0	C25'—C24'—C19'	118.9 (5)
C5'—C6'—C7'	120.0	C23'—C24'—C19'	120.8 (5)
C5'—C6'—H6'	120.0	C24'—C25'—C26'	120.0
C7'—C6'—H6'	120.0	C24'—C25'—H25'	120.0
C8'—C7'—C6'	120.0	C26'—C25'—H25'	120.0
C8'—C7'—H7'	120.0	C25'—C26'—N2'	120.0
C6'—C7'—H7'	120.0	C25'—C26'—H26'	120.0
C7'—C8'—C3'	120.0	N2'—C26'—H26'	120.0
C7'—C8'—H8'	120.0	C27—N3—C31	120.0
C3'—C8'—H8'	120.0	C27—N3—Ni1	118.3 (4)
O4—C9—O3	125.8 (4)	C31—N3—Ni1	121.5 (4)
O4—C9—C10	122.9 (7)	N3—C27—C28	120.0
O3—C9—C10	109.9 (7)	N3—C27—H27	120.0
O4—C9—C10'	116.7 (6)	C28—C27—H27	120.0
O3—C9—C10'	116.8 (5)	C29—C28—C27	120.0
C9—C10—C11	112.3 (7)	C29—C28—H28	120.0
C9—C10—H10a	109.2	C27—C28—H28	120.0
C11—C10—H10a	109.2	C28—C29—C30	120.0
C9—C10—H10b	109.2	C28—C29—C29'	119.4 (4)
C11—C10—H10b	109.2	C30—C29—C29'	120.5 (4)
H10a—C10—H10b	107.9	C31—C30—C29	120.0
C12—C11—C16	120.0	C31—C30—H30	120.0
C12—C11—C10	120.6 (7)	C29—C30—H30	120.0
C16—C11—C10	119.3 (7)	C30—C31—N3	120.0
C13—C12—C11	120.0	C30—C31—H31	120.0
C13—C12—H12	120.0	N3—C31—H31	120.0
C11—C12—H12	120.0	C27'—N3'—C31'	120.0
C12—C13—C14	120.0	C27'—N3'—Ni1^ii	119.8 (4)
C12—C13—H13	120.0	C31'—N3'—Ni1^ii	120.1 (4)
C14—C13—H13	120.0	C28'—C27'—N3'	120.0
C15—C14—C13	120.0	C28'—C27'—H27'	120.0
C15—C14—H14	120.0	N3'—C27'—H27'	120.0
C13—C14—H14	120.0	C27'—C28'—C29'	120.0
C14—C15—C16	120.0	C27'—C28'—H28'	120.0
C14—C15—H15	120.0	C29'—C28'—H28'	120.0
C16—C15—H15	120.0	C30'—C29'—C28'	120.0
C15—C16—C11	120.0	C30'—C29'—C29	119.7 (3)
C15—C16—H16	120.0	C28'—C29'—C29	120.2 (3)
C11—C16—H16	120.0	C31'—C30'—C29'	120.0
C11'—C10'—C9	119.4 (8)	C31'—C30'—H30'	120.0
C11'—C10'—H10c	107.5	C29'—C30'—H30'	120.0
C9—C10'—H10c	107.5	C30'—C31'—N3'	120.0
C11'—C10'—H10d	107.5	C30'—C31'—H31'	120.0
C9—C10'—H10d	107.5	N3'—C31'—H31'	120.0
O1w—Ni1—O1—C1	−10.6 (4)	C17—C18—C19—C24	−178.3 (6)
N1—Ni1—O1—C1	−99.8 (4)	C24—C19—C20—C21	178.3 (6)
N2'^i—Ni1—O1—C1	81.7 (4)	Ni1—N1—C21—C20	179.7 (4)
N2^i—Ni1—O1—C1	76.7 (4)	O3—Ni1—N1'—C17'	120.4 (3)
N1'—Ni1—O1—C1	−100.4 (4)	O1—Ni1—N1'—C17'	−54.8 (3)
N3—Ni1—O1—C1	165.2 (4)	O1w—Ni1—N1'—C17'	−144.0 (3)
N3'^ii—Ni1—O1—C1	169.3 (4)	N1—Ni1—N1'—C17'	131 (3)
O1w—Ni1—O3—C9	21.2 (5)	N3—Ni1—N1'—C17'	30.2 (4)
N1—Ni1—O3—C9	109.8 (5)	N3'^ii—Ni1—N1'—C17'	35.6 (4)
N2'^i—Ni1—O3—C9	−71.5 (5)	O3—Ni1—N1'—C21'	−55.5 (3)
N2^i—Ni1—O3—C9	−66.7 (5)	O1—Ni1—N1'—C21'	129.3 (3)
N1'—Ni1—O3—C9	110.7 (5)	O1w—Ni1—N1'—C21'	40.1 (3)
N3—Ni1—O3—C9	−155.4 (5)	N1—Ni1—N1'—C21'	−45 (3)
N3'^ii—Ni1—O3—C9	−158.8 (5)	N3—Ni1—N1'—C21'	−145.7 (3)
Ni1—O1—C1—O2	−12.0 (8)	N3'^ii—Ni1—N1'—C21'	−140.3 (3)
Ni1—O1—C1—C2	165.2 (5)	Ni1—N1'—C17'—C18'	−175.8 (4)
Ni1—O1—C1—C2'	162.1 (7)	C17'—C18'—C19'—C24'	172.6 (5)
O2—C1—C2—C3	87 (2)	C24'—C19'—C20'—C21'	−172.6 (5)
O1—C1—C2—C3	−90 (2)	Ni1—N1'—C21'—C20'	176.0 (4)
C2'—C1—C2—C3	−6 (78)	Ni1^iii—N2—C22—C23	179.5 (4)
C1—C2—C3—C4	−68 (3)	C22—C23—C24—C19	175.2 (6)
C1—C2—C3—C8	110.2 (19)	C20—C19—C24—C25	−34.2 (7)
C2—C3—C4—C5	178.2 (11)	C18—C19—C24—C25	144.1 (4)
C2—C3—C8—C7	−178.2 (11)	C20—C19—C24—C23	150.7 (4)
O2—C1—C2'—C3'	71 (5)	C18—C19—C24—C23	−31.0 (6)
O1—C1—C2'—C3'	−103 (4)	C19—C24—C25—C26	−175.0 (7)
C2—C1—C2'—C3'	159 (84)	Ni1^iii—N2—C26—C25	−179.4 (4)
C1—C2'—C3'—C4'	−150 (3)	Ni1^iii—N2'—C22'—C23'	174.9 (4)
C1—C2'—C3'—C8'	36 (5)	C22'—C23'—C24'—C19'	−174.7 (6)
C2'—C3'—C4'—C5'	−174 (3)	C18'—C19'—C24'—C25'	37.0 (6)
C2'—C3'—C8'—C7'	174 (2)	C20'—C19'—C24'—C25'	−150.4 (4)
Ni1—O3—C9—O4	21.9 (8)	C18'—C19'—C24'—C23'	−148.3 (4)
Ni1—O3—C9—C10	−171.5 (6)	C20'—C19'—C24'—C23'	24.4 (6)
Ni1—O3—C9—C10'	−147.9 (6)	C19'—C24'—C25'—C26'	174.8 (6)
O4—C9—C10—C11	−129.8 (8)	Ni1^iii—N2'—C26'—C25'	−175.2 (4)
O3—C9—C10—C11	63.1 (11)	O3—Ni1—N3—C27	10.2 (3)
C10'—C9—C10—C11	−48.9 (17)	O1—Ni1—N3—C27	−178.0 (3)
C9—C10—C11—C12	−74.4 (11)	N1—Ni1—N3—C27	93.7 (3)
C9—C10—C11—C16	107.4 (9)	N2'^i—Ni1—N3—C27	−83.3 (3)
C10—C11—C12—C13	−178.1 (7)	N2^i—Ni1—N3—C27	−85.9 (3)
C10—C11—C16—C15	178.2 (7)	N1'—Ni1—N3—C27	98.7 (3)
O4—C9—C10'—C11'	20.9 (12)	N3'^ii—Ni1—N3—C27	41 (3)
O3—C9—C10'—C11'	−168.4 (7)	O3—Ni1—N3—C31	−174.8 (4)
C10—C9—C10'—C11'	−91 (2)	O1—Ni1—N3—C31	−3.0 (4)
C9—C10'—C11'—C12'	111.3 (9)	N1—Ni1—N3—C31	−91.3 (4)
C9—C10'—C11'—C16'	−69.5 (11)	N2'^i—Ni1—N3—C31	91.7 (4)
C10'—C11'—C12'—C13'	179.2 (7)	N2^i—Ni1—N3—C31	89.1 (4)
C10'—C11'—C16'—C15'	−179.2 (7)	N1'—Ni1—N3—C31	−86.3 (4)
O3—Ni1—N1—C17	43.0 (3)	N3'^ii—Ni1—N3—C31	−144 (3)
O1—Ni1—N1—C17	−132.1 (3)	Ni1—N3—C27—C28	175.1 (5)
O1w—Ni1—N1—C17	138.8 (3)	C27—C28—C29—C29'	175.9 (5)
N1'—Ni1—N1—C17	−126 (3)	C29'—C29—C30—C31	−175.9 (5)
N3—Ni1—N1—C17	−46.8 (4)	Ni1—N3—C31—C30	−174.9 (5)
N3'^ii—Ni1—N1—C17	−41.6 (3)	Ni1^ii—N3'—C27'—C28'	−177.6 (5)
O3—Ni1—N1—C21	−136.7 (3)	C27'—C28'—C29'—C29	175.9 (6)
O1—Ni1—N1—C21	48.2 (3)	C28—C29—C29'—C30'	30.1 (6)
O1w—Ni1—N1—C21	−41.0 (3)	C30—C29—C29'—C30'	−154.0 (5)
N1'—Ni1—N1—C21	54 (3)	C28—C29—C29'—C28'	−145.9 (5)
N3—Ni1—N1—C21	133.5 (3)	C30—C29—C29'—C28'	30.0 (7)
N3'^ii—Ni1—N1—C21	138.7 (3)	C29—C29'—C30'—C31'	−175.9 (6)
Ni1—N1—C17—C18	−179.7 (4)	Ni1^ii—N3'—C31'—C30'	177.6 (5)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1w—H1w1···O2	0.85 (1)	1.87 (2)	2.682 (7)	160 (6)
O1w—H1w2···O2w	0.85 (1)	1.97 (2)	2.801 (7)	168 (6)
O2w—H2w1···O2^iv	0.85 (1)	2.10 (3)	2.896 (8)	155 (7)
O2w—H2w2···O4	0.85 (1)	1.87 (2)	2.716 (6)	173 (8)

Symmetry code: (iv) −x+1, −y+1, −z+1.