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The title compound, [Ni(C38H34N4O4)], is a four-coordinate nickel(II) complex of the 5,15-dihydro-7,16-bis(benzyloxycarbon­yl)-6,18,15,17-tetra­methyl­dibenzo[b,i]­[1,4,8,11]tetraazacyclo­tetra­decine ligand, which forms a saddle-shaped mol­ecule with divergent concave surfaces. The mol­ecules assemble in the crystal structure via C—H...O inter­actions with the ester carbonyl O atoms and C—H...π inter­actions with the propane­diiminate portion of the complex.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806038803/ng2105sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806038803/ng2105Isup2.hkl
Contains datablock I

CCDC reference: 624937

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.037
  • wR factor = 0.104
  • Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) ..... 20 Ang. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.22 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C37
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 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 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Siemens, 1995); cell refinement: SMART; data reduction: SAINT (Siemens, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: WinGX (Farrugia, 1999).

[7,16-Bis(benzyloxycarbonyl)-6,18,15,17- tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato-κ4N]nickel(II) top
Crystal data top
[Ni(C38H34N4O4)]Dx = 1.388 Mg m3
Mr = 669.40Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, PbcaCell parameters from 8192 reflections
a = 10.6079 (2) Åθ = 1–25.4°
b = 40.5916 (2) ŵ = 0.65 mm1
c = 14.8774 (2) ÅT = 150 K
V = 6406.08 (15) Å3Plate, red
Z = 80.36 × 0.32 × 0.16 mm
F(000) = 2800
Data collection top
Siemens SMART CCD area-detector
diffractometer
5855 independent reflections
Radiation source: fine-focus sealed tube4985 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.035
ω scansθmax = 25.4°, θmin = 1.0°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1112
Tmin = 0.799, Tmax = 0.903k = 4844
33114 measured reflectionsl = 1717
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.104H-atom parameters constrained
S = 0.85 w = 1/[σ2(Fo2) + (0.0548P)2 + 14.0271P]
where P = (Fo2 + 2Fc2)/3
5855 reflections(Δ/σ)max = 0.011
428 parametersΔρmax = 0.27 e Å3
0 restraintsΔρmin = 0.29 e Å3
Special details top

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 (Å2) top
xyzUiso*/Ueq
Ni0.40273 (3)0.127892 (7)0.578476 (19)0.01918 (10)
N10.44310 (19)0.17232 (5)0.58182 (13)0.0218 (4)
N20.26165 (18)0.13241 (5)0.65246 (13)0.0207 (4)
N30.36007 (18)0.08362 (5)0.57183 (13)0.0209 (4)
N40.54294 (19)0.12353 (5)0.50359 (13)0.0228 (4)
O10.06558 (17)0.22425 (4)0.57781 (13)0.0333 (4)
O20.18081 (19)0.24077 (4)0.69601 (13)0.0366 (5)
O30.5471 (2)0.02113 (5)0.38021 (13)0.0526 (6)
O40.47423 (17)0.05749 (4)0.28066 (11)0.0288 (4)
C10.3604 (2)0.19673 (6)0.59423 (16)0.0245 (5)
C20.2382 (2)0.19048 (6)0.62812 (16)0.0231 (5)
C30.1928 (2)0.15982 (6)0.66019 (15)0.0213 (5)
C40.2307 (2)0.10161 (6)0.69261 (16)0.0214 (5)
C50.2854 (2)0.07441 (6)0.64758 (15)0.0218 (5)
C60.3846 (2)0.06400 (6)0.50177 (15)0.0223 (5)
C70.4752 (2)0.07320 (6)0.43588 (16)0.0253 (5)
C80.5559 (2)0.10083 (6)0.43931 (16)0.0266 (5)
C90.6290 (2)0.14994 (6)0.51885 (16)0.0247 (5)
C100.5725 (2)0.17719 (6)0.56172 (16)0.0244 (5)
C110.3898 (3)0.23162 (7)0.5645 (2)0.0353 (6)
H11A0.41620.24470.61670.053*
H11B0.31440.24150.53770.053*
H11C0.45790.23120.52000.053*
C120.0617 (2)0.15907 (6)0.70074 (17)0.0267 (5)
H12A0.02390.13730.69080.040*
H12B0.00940.17600.67220.040*
H12C0.06720.16340.76540.040*
C130.1662 (2)0.09635 (6)0.77326 (16)0.0265 (5)
H130.13210.11450.80530.032*
C140.1516 (3)0.06457 (7)0.80684 (17)0.0309 (6)
H140.10430.06100.86020.037*
C150.2061 (3)0.03817 (6)0.76248 (17)0.0310 (6)
H150.19610.01650.78570.037*
C160.2754 (2)0.04304 (6)0.68414 (16)0.0266 (5)
H160.31580.02490.65570.032*
C170.3099 (3)0.03277 (6)0.48645 (17)0.0278 (5)
H17A0.35710.01390.51000.042*
H17B0.29550.02980.42190.042*
H17C0.22870.03440.51750.042*
C180.6557 (3)0.10448 (8)0.3669 (2)0.0431 (7)
H18A0.67960.12770.36150.065*
H18B0.62190.09670.30940.065*
H18C0.72990.09140.38310.065*
C190.7592 (2)0.14935 (7)0.50608 (18)0.0322 (6)
H190.79820.13070.47950.039*
C200.8317 (3)0.17624 (7)0.53247 (19)0.0360 (6)
H200.91980.17630.52100.043*
C210.7770 (3)0.20289 (7)0.57526 (18)0.0346 (6)
H210.82760.22100.59380.041*
C220.6482 (2)0.20318 (7)0.59112 (18)0.0310 (6)
H220.61120.22120.62220.037*
C230.1509 (2)0.21941 (6)0.63002 (17)0.0252 (5)
C240.1079 (3)0.27157 (7)0.6958 (2)0.0501 (9)
H24A0.02280.26780.72110.060*
H24B0.09860.27990.63370.060*
C250.1787 (3)0.29601 (6)0.75235 (19)0.0331 (6)
C260.2815 (3)0.31255 (8)0.7166 (2)0.0456 (8)
H260.30800.30790.65690.055*
C270.3459 (3)0.33584 (8)0.7672 (3)0.0557 (9)
H270.41730.34670.74270.067*
C280.3059 (3)0.34304 (8)0.8528 (2)0.0544 (9)
H280.34790.35960.88660.065*
C290.2063 (4)0.32656 (9)0.8895 (2)0.0527 (9)
H290.18070.33130.94930.063*
C300.1427 (3)0.30302 (7)0.8400 (2)0.0426 (7)
H300.07370.29160.86610.051*
C310.5029 (3)0.04782 (6)0.36521 (17)0.0293 (6)
C320.5251 (3)0.03588 (7)0.21084 (17)0.0344 (6)
H32A0.48690.01370.21580.041*
H32B0.61750.03370.21820.041*
C330.4956 (3)0.05056 (7)0.12025 (17)0.0307 (6)
C340.5530 (3)0.07934 (7)0.09062 (19)0.0362 (6)
H340.60810.09100.12960.043*
C350.5305 (3)0.09116 (7)0.0048 (2)0.0410 (7)
H350.57020.11090.01460.049*
C360.4514 (4)0.07456 (9)0.0522 (2)0.0528 (9)
H360.43670.08260.11130.063*
C370.3939 (4)0.04642 (10)0.0237 (2)0.0688 (12)
H370.33850.03490.06290.083*
C380.4155 (4)0.03434 (8)0.0625 (2)0.0536 (9)
H380.37460.01470.08160.064*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni0.02002 (17)0.01843 (16)0.01910 (16)0.00039 (12)0.00089 (12)0.00025 (11)
N10.0209 (10)0.0224 (10)0.0223 (10)0.0016 (8)0.0007 (8)0.0002 (8)
N20.0238 (10)0.0190 (10)0.0193 (9)0.0027 (8)0.0004 (8)0.0001 (8)
N30.0222 (10)0.0197 (10)0.0207 (10)0.0007 (8)0.0002 (8)0.0004 (8)
N40.0213 (10)0.0255 (11)0.0217 (10)0.0001 (8)0.0002 (8)0.0021 (8)
O10.0290 (10)0.0260 (10)0.0450 (11)0.0019 (8)0.0099 (9)0.0030 (8)
O20.0466 (11)0.0239 (10)0.0394 (11)0.0133 (8)0.0131 (9)0.0105 (8)
O30.0901 (18)0.0385 (12)0.0292 (11)0.0335 (12)0.0053 (11)0.0028 (9)
O40.0387 (10)0.0261 (9)0.0218 (9)0.0062 (8)0.0014 (8)0.0035 (7)
C10.0292 (13)0.0208 (12)0.0235 (12)0.0025 (10)0.0025 (10)0.0004 (9)
C20.0270 (13)0.0189 (12)0.0235 (12)0.0011 (10)0.0013 (10)0.0020 (9)
C30.0237 (12)0.0234 (12)0.0168 (11)0.0007 (9)0.0033 (9)0.0036 (9)
C40.0220 (12)0.0202 (12)0.0220 (11)0.0023 (9)0.0011 (10)0.0001 (9)
C50.0232 (12)0.0238 (12)0.0182 (11)0.0013 (9)0.0007 (10)0.0004 (9)
C60.0260 (12)0.0207 (12)0.0202 (11)0.0047 (9)0.0044 (10)0.0014 (9)
C70.0292 (14)0.0261 (13)0.0206 (12)0.0058 (10)0.0011 (10)0.0003 (10)
C80.0238 (12)0.0312 (14)0.0247 (13)0.0049 (10)0.0026 (10)0.0005 (10)
C90.0232 (12)0.0301 (13)0.0208 (12)0.0025 (10)0.0014 (10)0.0039 (10)
C100.0230 (12)0.0260 (13)0.0243 (12)0.0023 (10)0.0019 (10)0.0076 (10)
C110.0303 (14)0.0255 (14)0.0501 (17)0.0008 (11)0.0065 (13)0.0101 (12)
C120.0276 (13)0.0246 (13)0.0279 (13)0.0012 (10)0.0022 (11)0.0007 (10)
C130.0300 (13)0.0250 (12)0.0245 (12)0.0012 (10)0.0033 (11)0.0014 (10)
C140.0332 (14)0.0354 (15)0.0242 (13)0.0003 (12)0.0062 (11)0.0053 (11)
C150.0386 (15)0.0243 (13)0.0300 (14)0.0024 (11)0.0003 (12)0.0070 (11)
C160.0305 (13)0.0219 (12)0.0273 (13)0.0009 (10)0.0010 (11)0.0007 (10)
C170.0366 (14)0.0225 (12)0.0244 (12)0.0009 (11)0.0032 (11)0.0008 (10)
C180.0439 (17)0.0498 (18)0.0354 (16)0.0101 (14)0.0169 (14)0.0116 (13)
C190.0262 (13)0.0408 (16)0.0297 (14)0.0012 (11)0.0011 (11)0.0027 (11)
C200.0234 (13)0.0501 (18)0.0344 (15)0.0068 (12)0.0028 (11)0.0099 (13)
C210.0285 (14)0.0386 (16)0.0366 (15)0.0105 (12)0.0041 (12)0.0075 (12)
C220.0289 (13)0.0294 (14)0.0346 (15)0.0049 (11)0.0017 (11)0.0041 (11)
C230.0259 (13)0.0194 (12)0.0303 (13)0.0034 (10)0.0009 (11)0.0007 (10)
C240.055 (2)0.0298 (15)0.066 (2)0.0214 (14)0.0233 (17)0.0179 (14)
C250.0387 (15)0.0242 (13)0.0363 (14)0.0112 (11)0.0102 (12)0.0050 (11)
C260.061 (2)0.0402 (17)0.0357 (16)0.0108 (15)0.0064 (15)0.0039 (13)
C270.049 (2)0.0435 (18)0.074 (3)0.0056 (16)0.0022 (18)0.0094 (17)
C280.063 (2)0.0439 (19)0.057 (2)0.0071 (16)0.0303 (18)0.0051 (16)
C290.076 (2)0.051 (2)0.0311 (16)0.0002 (18)0.0082 (16)0.0077 (14)
C300.0474 (18)0.0382 (16)0.0423 (17)0.0016 (14)0.0067 (14)0.0021 (13)
C310.0358 (14)0.0288 (14)0.0235 (13)0.0044 (11)0.0014 (11)0.0015 (10)
C320.0504 (17)0.0292 (14)0.0236 (13)0.0072 (12)0.0036 (12)0.0053 (11)
C330.0370 (14)0.0291 (14)0.0260 (13)0.0015 (11)0.0042 (11)0.0034 (11)
C340.0375 (15)0.0374 (16)0.0338 (15)0.0017 (12)0.0017 (12)0.0016 (12)
C350.0439 (17)0.0378 (16)0.0414 (16)0.0054 (13)0.0119 (14)0.0107 (13)
C360.076 (2)0.055 (2)0.0268 (15)0.0079 (18)0.0015 (16)0.0078 (14)
C370.102 (3)0.061 (2)0.043 (2)0.022 (2)0.031 (2)0.0017 (17)
C380.078 (3)0.0433 (18)0.0392 (17)0.0236 (18)0.0109 (17)0.0036 (14)
Geometric parameters (Å, º) top
Ni—N11.854 (2)C15—C161.392 (4)
Ni—N31.856 (2)C15—H150.9500
Ni—N41.867 (2)C16—H160.9500
Ni—N21.867 (2)C17—H17A0.9800
N1—C11.336 (3)C17—H17B0.9800
N1—C101.419 (3)C17—H17C0.9800
N2—C31.336 (3)C18—H18A0.9800
N2—C41.424 (3)C18—H18B0.9800
N3—C61.337 (3)C18—H18C0.9800
N3—C51.427 (3)C19—C201.392 (4)
N4—C81.335 (3)C19—H190.9500
N4—C91.426 (3)C20—C211.383 (4)
O1—C231.209 (3)C20—H200.9500
O2—C231.348 (3)C21—C221.387 (4)
O2—C241.470 (3)C21—H210.9500
O3—C311.202 (3)C22—H220.9500
O4—C311.352 (3)C24—C251.502 (4)
O4—C321.463 (3)C24—H24A0.9900
C1—C21.414 (3)C24—H24B0.9900
C1—C111.516 (3)C25—C261.386 (4)
C2—C31.417 (3)C25—C301.388 (4)
C2—C231.496 (3)C26—C271.388 (5)
C3—C121.516 (3)C26—H260.9500
C4—C131.398 (3)C27—C281.374 (5)
C4—C51.416 (3)C27—H270.9500
C5—C161.389 (3)C28—C291.365 (5)
C6—C71.422 (3)C28—H280.9500
C6—C171.513 (3)C29—C301.383 (4)
C7—C81.412 (4)C29—H290.9500
C7—C311.501 (3)C30—H300.9500
C8—C181.517 (4)C32—C331.507 (4)
C9—C191.394 (4)C32—H32A0.9900
C9—C101.410 (4)C32—H32B0.9900
C10—C221.396 (4)C33—C381.376 (4)
C11—H11A0.9800C33—C341.389 (4)
C11—H11B0.9800C34—C351.384 (4)
C11—H11C0.9800C34—H340.9500
C12—H12A0.9800C35—C361.371 (5)
C12—H12B0.9800C35—H350.9500
C12—H12C0.9800C36—C371.363 (5)
C13—C141.392 (4)C36—H360.9500
C13—H130.9500C37—C381.391 (5)
C14—C151.385 (4)C37—H370.9500
C14—H140.9500C38—H380.9500
N1—Ni—N3178.30 (9)H17A—C17—H17B109.5
N1—Ni—N485.66 (9)C6—C17—H17C109.5
N3—Ni—N494.04 (9)H17A—C17—H17C109.5
N1—Ni—N294.23 (8)H17B—C17—H17C109.5
N3—Ni—N286.06 (8)C8—C18—H18A109.5
N4—Ni—N2179.47 (9)C8—C18—H18B109.5
C1—N1—C10124.1 (2)H18A—C18—H18B109.5
C1—N1—Ni125.00 (17)C8—C18—H18C109.5
C10—N1—Ni110.69 (16)H18A—C18—H18C109.5
C3—N2—C4124.7 (2)H18B—C18—H18C109.5
C3—N2—Ni124.82 (16)C20—C19—C9119.7 (3)
C4—N2—Ni110.22 (15)C20—C19—H19120.2
C6—N3—C5124.6 (2)C9—C19—H19120.2
C6—N3—Ni124.79 (16)C21—C20—C19120.8 (3)
C5—N3—Ni110.29 (15)C21—C20—H20119.6
C8—N4—C9124.5 (2)C19—C20—H20119.6
C8—N4—Ni125.10 (17)C20—C21—C22119.9 (3)
C9—N4—Ni110.10 (15)C20—C21—H21120.0
C23—O2—C24115.0 (2)C22—C21—H21120.0
C31—O4—C32113.80 (19)C21—C22—C10120.5 (3)
N1—C1—C2121.2 (2)C21—C22—H22119.8
N1—C1—C11121.2 (2)C10—C22—H22119.8
C2—C1—C11117.4 (2)O1—C23—O2122.6 (2)
C1—C2—C3126.1 (2)O1—C23—C2125.4 (2)
C1—C2—C23115.7 (2)O2—C23—C2111.9 (2)
C3—C2—C23118.2 (2)O2—C24—C25107.3 (2)
N2—C3—C2121.1 (2)O2—C24—H24A110.3
N2—C3—C12121.3 (2)C25—C24—H24A110.3
C2—C3—C12117.6 (2)O2—C24—H24B110.3
C13—C4—C5119.2 (2)C25—C24—H24B110.3
C13—C4—N2127.4 (2)H24A—C24—H24B108.5
C5—C4—N2113.1 (2)C26—C25—C30118.5 (3)
C16—C5—C4119.9 (2)C26—C25—C24119.9 (3)
C16—C5—N3126.3 (2)C30—C25—C24121.6 (3)
C4—C5—N3113.4 (2)C25—C26—C27120.6 (3)
N3—C6—C7120.8 (2)C25—C26—H26119.7
N3—C6—C17121.0 (2)C27—C26—H26119.7
C7—C6—C17118.0 (2)C28—C27—C26119.7 (3)
C8—C7—C6126.4 (2)C28—C27—H27120.1
C8—C7—C31116.9 (2)C26—C27—H27120.1
C6—C7—C31115.8 (2)C29—C28—C27120.4 (3)
N4—C8—C7120.8 (2)C29—C28—H28119.8
N4—C8—C18120.8 (2)C27—C28—H28119.8
C7—C8—C18118.4 (2)C28—C29—C30120.2 (3)
C19—C9—C10119.7 (2)C28—C29—H29119.9
C19—C9—N4126.8 (2)C30—C29—H29119.9
C10—C9—N4112.9 (2)C29—C30—C25120.5 (3)
C22—C10—C9119.4 (2)C29—C30—H30119.7
C22—C10—N1126.6 (2)C25—C30—H30119.7
C9—C10—N1113.4 (2)O3—C31—O4121.5 (2)
C1—C11—H11A109.5O3—C31—C7124.4 (2)
C1—C11—H11B109.5O4—C31—C7114.1 (2)
H11A—C11—H11B109.5O4—C32—C33108.7 (2)
C1—C11—H11C109.5O4—C32—H32A109.9
H11A—C11—H11C109.5C33—C32—H32A109.9
H11B—C11—H11C109.5O4—C32—H32B109.9
C3—C12—H12A109.5C33—C32—H32B109.9
C3—C12—H12B109.5H32A—C32—H32B108.3
H12A—C12—H12B109.5C38—C33—C34118.3 (3)
C3—C12—H12C109.5C38—C33—C32119.9 (3)
H12A—C12—H12C109.5C34—C33—C32121.7 (3)
H12B—C12—H12C109.5C35—C34—C33120.6 (3)
C14—C13—C4120.3 (2)C35—C34—H34119.7
C14—C13—H13119.9C33—C34—H34119.7
C4—C13—H13119.9C36—C35—C34120.4 (3)
C15—C14—C13120.0 (2)C36—C35—H35119.8
C15—C14—H14120.0C34—C35—H35119.8
C13—C14—H14120.0C37—C36—C35119.5 (3)
C14—C15—C16120.6 (2)C37—C36—H36120.2
C14—C15—H15119.7C35—C36—H36120.2
C16—C15—H15119.7C36—C37—C38120.6 (3)
C5—C16—C15119.9 (2)C36—C37—H37119.7
C5—C16—H16120.0C38—C37—H37119.7
C15—C16—H16120.0C33—C38—C37120.6 (3)
C6—C17—H17A109.5C33—C38—H38119.7
C6—C17—H17B109.5C37—C38—H38119.7
N4—Ni—N1—C1151.7 (2)C8—N4—C9—C10155.1 (2)
N2—Ni—N1—C127.8 (2)Ni—N4—C9—C1019.2 (2)
N4—Ni—N1—C1023.30 (16)C19—C9—C10—C220.2 (4)
N2—Ni—N1—C10157.22 (16)N4—C9—C10—C22172.0 (2)
N1—Ni—N2—C327.2 (2)C19—C9—C10—N1171.3 (2)
N3—Ni—N2—C3151.10 (19)N4—C9—C10—N11.0 (3)
N1—Ni—N2—C4158.46 (15)C1—N1—C10—C2232.6 (4)
N3—Ni—N2—C423.23 (15)Ni—N1—C10—C22152.4 (2)
N4—Ni—N3—C628.9 (2)C1—N1—C10—C9157.2 (2)
N2—Ni—N3—C6150.6 (2)Ni—N1—C10—C917.9 (2)
N4—Ni—N3—C5157.44 (15)C5—C4—C13—C142.5 (4)
N2—Ni—N3—C523.08 (16)N2—C4—C13—C14175.2 (2)
N3—Ni—N4—C827.8 (2)C4—C13—C14—C152.9 (4)
C10—N1—C1—C2169.7 (2)C13—C14—C15—C160.2 (4)
Ni—N1—C1—C215.9 (3)C4—C5—C16—C153.3 (4)
C10—N1—C1—C1116.0 (4)N3—C5—C16—C15175.2 (2)
Ni—N1—C1—C11158.34 (19)C14—C15—C16—C53.0 (4)
N1—C1—C2—C36.3 (4)C10—C9—C19—C202.6 (4)
C11—C1—C2—C3179.2 (2)N4—C9—C19—C20173.7 (2)
N1—C1—C2—C23174.1 (2)C9—C19—C20—C213.2 (4)
C11—C1—C2—C230.4 (3)C19—C20—C21—C220.9 (4)
C4—N2—C3—C2171.6 (2)C20—C21—C22—C102.0 (4)
Ni—N2—C3—C214.8 (3)C9—C10—C22—C212.5 (4)
C4—N2—C3—C1210.4 (3)N1—C10—C22—C21172.3 (2)
Ni—N2—C3—C12163.15 (17)C24—O2—C23—O14.3 (4)
C1—C2—C3—N26.8 (4)C24—O2—C23—C2173.6 (2)
C23—C2—C3—N2173.6 (2)C1—C2—C23—O1104.0 (3)
C1—C2—C3—C12175.1 (2)C3—C2—C23—O176.4 (3)
C23—C2—C3—C124.5 (3)C1—C2—C23—O273.8 (3)
C3—N2—C4—C1331.0 (4)C3—C2—C23—O2105.8 (2)
Ni—N2—C4—C13154.7 (2)C23—O2—C24—C25162.4 (2)
C3—N2—C4—C5156.0 (2)O2—C24—C25—C2679.6 (3)
Ni—N2—C4—C518.3 (2)O2—C24—C25—C30101.5 (3)
C13—C4—C5—C160.6 (3)C30—C25—C26—C270.6 (4)
N2—C4—C5—C16173.0 (2)C24—C25—C26—C27178.3 (3)
C13—C4—C5—N3173.4 (2)C25—C26—C27—C281.3 (5)
N2—C4—C5—N30.2 (3)C26—C27—C28—C292.5 (5)
C6—N3—C5—C1632.2 (4)C27—C28—C29—C301.7 (5)
Ni—N3—C5—C16154.2 (2)C28—C29—C30—C250.3 (5)
C6—N3—C5—C4155.5 (2)C26—C25—C30—C291.5 (4)
Ni—N3—C5—C418.1 (2)C24—C25—C30—C29177.5 (3)
C5—N3—C6—C7170.3 (2)C32—O4—C31—O311.9 (4)
Ni—N3—C6—C716.9 (3)C32—O4—C31—C7167.8 (2)
C5—N3—C6—C1714.6 (3)C8—C7—C31—O3107.2 (3)
Ni—N3—C6—C17158.23 (17)C6—C7—C31—O362.2 (4)
N3—C6—C7—C86.5 (4)C8—C7—C31—O472.4 (3)
C17—C6—C7—C8178.2 (2)C6—C7—C31—O4118.2 (2)
N3—C6—C7—C31174.7 (2)C31—O4—C32—C33175.7 (2)
C17—C6—C7—C3110.0 (3)O4—C32—C33—C38114.7 (3)
C9—N4—C8—C7172.0 (2)O4—C32—C33—C3469.2 (3)
Ni—N4—C8—C714.6 (3)C38—C33—C34—C350.5 (4)
C9—N4—C8—C189.4 (4)C32—C33—C34—C35175.7 (3)
Ni—N4—C8—C18164.0 (2)C33—C34—C35—C360.1 (5)
C6—C7—C8—N47.7 (4)C34—C35—C36—C370.5 (5)
C31—C7—C8—N4175.8 (2)C35—C36—C37—C380.4 (6)
C6—C7—C8—C18173.7 (2)C34—C33—C38—C370.6 (5)
C31—C7—C8—C185.6 (4)C32—C33—C38—C37175.7 (3)
C8—N4—C9—C1933.3 (4)C36—C37—C38—C330.2 (7)
Ni—N4—C9—C19152.4 (2)
 

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