Download citation
Download citation
link to html
The title compound, [Ni3(C17H20N2O2)2(C2H3O2)2(C3H7NO)2]·2C3H7NO, is a centrosymmetric trinuclear nickel(II) complex. The central and terminal nickel(II) atoms have distorted octa­hedral coordination, the central NiII atom by six O atoms, and the terminal NiII atoms by four O atoms and two N atoms each. The average Ni—O and Ni—N distances for the terminal Ni ions are 2.062 (17) and 2.082 (2) Å, respectively. The Ni...Ni distance is 3.035 (2) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806005976/cf2005sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806005976/cf2005Isup2.hkl
Contains datablock I

CCDC reference: 601131

Key indicators

  • Single-crystal X-ray study
  • T = 300 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.034
  • wR factor = 0.096
  • Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT355_ALERT_3_B Long O-H Bond (0.82A) O6 - H6A ... 1.11 Ang.
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 1 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.68 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.68 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N3 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N4 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C22 PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... O7^I^ H6A O7^I^ PLAT717_ALERT_1_C D...A Unknown or Inconsistent Label .......... O7^I^ O6 O7^I^ PLAT718_ALERT_1_C D-H..A Unknown or Inconsistent Label .......... O7^I^ O6 H6A O7^I^ PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C3 H7 N O
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 5 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 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1993); cell refinement: CAD-4 EXPRESS; data reduction: X-RED (Stoe & Cie, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Bis{[µ-N,N'-bis(2-hydroxybenzyl)-2-hydroxy-1,3 propandiaminato](acetato) (N,N'-dimethylformamide)nickel(II)}nickel(II) top
Crystal data top
[(C44H60N6Ni3O12)].2C3H7NOZ = 1
Mr = 1187.24F(000) = 626
Triclinic, P1Dx = 1.396 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.373 (3) ÅCell parameters from 25 reflections
b = 12.125 (1) Åθ = 1.8–26.0°
c = 12.863 (1) ŵ = 1.06 mm1
α = 107.99 (1)°T = 300 K
β = 107.99 (1)°Prism, blue
γ = 98.18 (1)°0.40 × 0.13 × 0.10 mm
V = 1412.1 (5) Å3
Data collection top
Enraf-Nonius CAD-4
diffractometer
4342 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tubeRint = 0.0
Graphite monochromatorθmax = 26.0°, θmin = 1.8°
ω/2θ scansh = 1211
Absorption correction: ψ scan
ψ scan (Fair, 1990)
k = 1414
Tmin = 0.848, Tmax = 0.900l = 015
5524 measured reflections3 standard reflections every 120 min
5524 independent reflections intensity decay: 1.5%
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.034H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.096 w = 1/[σ2(Fo2) + (0.0558P)2 + 0.5368P]
where P = (Fo2 + 2Fc2)/3
S = 1.02(Δ/σ)max < 0.001
5524 reflectionsΔρmax = 0.52 e Å3
356 parametersΔρmin = 0.42 e Å3
0 restraintsExtinction correction: SHELXL97
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.2252 (2)0.1753 (2)0.4682 (2)0.0342 (5)
C20.3260 (3)0.1106 (3)0.4832 (3)0.0461 (6)
H20.30590.03940.49530.055*
C30.4562 (3)0.1519 (3)0.4801 (3)0.0589 (8)
H30.52240.10790.49040.071*
C40.4886 (3)0.2560 (3)0.4623 (3)0.0630 (9)
H40.57510.28170.45820.076*
C50.3918 (3)0.3224 (3)0.4504 (3)0.0546 (7)
H50.41430.39400.43950.066*
C60.2607 (3)0.2845 (2)0.4544 (2)0.0397 (6)
C70.1600 (3)0.3625 (2)0.4521 (3)0.0459 (6)
H7A0.14030.37980.52360.055*
H7B0.20470.43820.45160.055*
C80.0569 (3)0.3958 (2)0.3421 (3)0.0513 (7)
H8A0.00020.46600.34100.062*
H8B0.07960.42110.41210.062*
C90.1926 (3)0.3468 (3)0.2334 (3)0.0490 (7)
H90.23200.41430.22680.059*
C100.3015 (3)0.2552 (3)0.2392 (2)0.0458 (6)
H10A0.31020.28570.31520.055*
H10B0.39160.24300.17890.055*
C110.3831 (3)0.0472 (3)0.2142 (2)0.0454 (6)
H11A0.46940.04670.15620.054*
H11B0.39380.06930.28960.054*
C120.3631 (3)0.0765 (2)0.1808 (2)0.0407 (6)
C130.4583 (3)0.1684 (3)0.0788 (3)0.0579 (8)
H130.53070.15060.02830.069*
C140.4485 (4)0.2846 (3)0.0507 (3)0.0704 (10)
H140.51250.34480.01870.084*
C150.3424 (3)0.3109 (3)0.1269 (3)0.0647 (9)
H150.33580.38980.10920.078*
C160.2455 (3)0.2214 (2)0.2295 (3)0.0504 (7)
H160.17580.24100.28070.061*
C170.2517 (2)0.1022 (2)0.2567 (2)0.0362 (5)
C180.1170 (2)0.2176 (2)0.5754 (2)0.0336 (5)
C190.1459 (4)0.3059 (3)0.6718 (3)0.0555 (8)
H19A0.22820.26820.67990.083*
H19B0.16100.37440.65200.083*
H19C0.06700.33140.74480.083*
C200.0522 (3)0.0066 (3)0.2061 (2)0.0434 (6)
H200.042 (3)0.063 (3)0.239 (3)0.052*
C210.1896 (4)0.0686 (4)0.1101 (4)0.0752 (10)
H21A0.22610.14760.17060.090*
H21B0.10960.06740.04710.090*
H21C0.26080.04750.08050.090*
C220.2276 (5)0.1048 (4)0.1663 (4)0.0904 (13)
H22A0.32430.06440.21510.136*
H22B0.22090.15250.08880.136*
H22C0.19040.15590.20000.136*
C230.2527 (7)0.4419 (6)0.0712 (6)0.121 (2)
H230.32470.37130.11180.145*
C240.3784 (11)0.4995 (10)0.2248 (7)0.242 (6)
H24A0.46320.49150.20900.291*
H24B0.38500.42740.28670.291*
H24C0.36550.56650.24870.291*
C250.1574 (9)0.6274 (8)0.0699 (10)0.224 (6)
H25C0.17890.67410.11800.269*
H25B0.06800.61140.06460.269*
H25A0.15380.67120.00760.269*
N10.2663 (2)0.1395 (2)0.22258 (19)0.0375 (5)
N20.0254 (2)0.30725 (19)0.3489 (2)0.0386 (5)
N30.1482 (2)0.0169 (2)0.1586 (2)0.0492 (6)
N40.2611 (6)0.5190 (5)0.1203 (4)0.1183 (18)
O10.09779 (16)0.13624 (15)0.46627 (15)0.0335 (4)
O20.15778 (16)0.01314 (15)0.35182 (14)0.0348 (4)
O30.07922 (17)0.12989 (15)0.59423 (15)0.0363 (4)
O40.13317 (18)0.24065 (16)0.48391 (15)0.0393 (4)
O50.01479 (19)0.06959 (17)0.20482 (16)0.0452 (4)
O60.1650 (3)0.2953 (2)0.1308 (2)0.0698 (6)
H6A0.169 (4)0.365 (3)0.092 (3)0.084*
O70.1694 (4)0.4448 (4)0.0165 (4)0.1244 (14)
Ni10.07870 (3)0.14768 (3)0.34931 (3)0.03056 (10)
Ni20.00000.00000.50000.02874 (11)
H1'0.252 (3)0.120 (2)0.162 (3)0.037 (7)*
H2'0.041 (3)0.287 (2)0.289 (3)0.040 (8)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0246 (11)0.0415 (13)0.0345 (12)0.0058 (10)0.0102 (10)0.0139 (10)
C20.0309 (13)0.0522 (16)0.0616 (18)0.0161 (12)0.0192 (12)0.0256 (14)
C30.0299 (14)0.072 (2)0.078 (2)0.0180 (14)0.0233 (14)0.0272 (18)
C40.0308 (15)0.087 (2)0.077 (2)0.0075 (15)0.0266 (15)0.0348 (19)
C50.0393 (15)0.0611 (18)0.0612 (19)0.0022 (13)0.0160 (14)0.0297 (15)
C60.0305 (12)0.0443 (14)0.0423 (14)0.0045 (11)0.0118 (11)0.0177 (12)
C70.0434 (15)0.0365 (14)0.0541 (16)0.0066 (11)0.0121 (13)0.0201 (12)
C80.0558 (17)0.0423 (15)0.0604 (18)0.0185 (13)0.0176 (14)0.0268 (14)
C90.0592 (17)0.0577 (17)0.0483 (16)0.0331 (14)0.0225 (14)0.0334 (14)
C100.0449 (15)0.0594 (17)0.0419 (14)0.0304 (13)0.0149 (12)0.0244 (13)
C110.0251 (12)0.0666 (18)0.0481 (15)0.0177 (12)0.0109 (11)0.0266 (14)
C120.0272 (12)0.0540 (16)0.0374 (13)0.0076 (11)0.0096 (10)0.0162 (12)
C130.0366 (15)0.072 (2)0.0454 (16)0.0067 (14)0.0010 (12)0.0139 (15)
C140.054 (2)0.071 (2)0.0493 (18)0.0001 (17)0.0001 (15)0.0012 (16)
C150.058 (2)0.0467 (17)0.069 (2)0.0085 (15)0.0154 (17)0.0060 (15)
C160.0377 (14)0.0469 (16)0.0568 (17)0.0094 (12)0.0106 (13)0.0142 (13)
C170.0269 (12)0.0430 (14)0.0344 (13)0.0051 (10)0.0101 (10)0.0120 (11)
C180.0260 (11)0.0400 (13)0.0374 (13)0.0097 (10)0.0135 (10)0.0162 (11)
C190.074 (2)0.0586 (18)0.0533 (17)0.0313 (16)0.0386 (16)0.0247 (15)
C200.0497 (16)0.0479 (15)0.0417 (15)0.0172 (13)0.0252 (13)0.0188 (12)
C210.067 (2)0.101 (3)0.090 (3)0.028 (2)0.050 (2)0.054 (2)
C220.101 (3)0.097 (3)0.129 (4)0.067 (3)0.082 (3)0.061 (3)
C230.170 (6)0.158 (5)0.138 (5)0.115 (5)0.116 (5)0.101 (4)
C240.330 (13)0.406 (14)0.135 (6)0.295 (12)0.136 (8)0.154 (8)
C250.211 (9)0.252 (10)0.438 (17)0.143 (8)0.238 (11)0.278 (12)
N10.0350 (11)0.0516 (13)0.0337 (11)0.0190 (10)0.0149 (9)0.0209 (10)
N20.0421 (12)0.0409 (12)0.0396 (12)0.0149 (10)0.0162 (10)0.0213 (10)
N30.0505 (14)0.0594 (15)0.0540 (14)0.0242 (12)0.0335 (12)0.0243 (12)
N40.176 (4)0.175 (4)0.132 (3)0.134 (4)0.120 (4)0.124 (4)
O10.0227 (8)0.0408 (9)0.0430 (9)0.0093 (7)0.0129 (7)0.0228 (8)
O20.0278 (8)0.0379 (9)0.0345 (9)0.0068 (7)0.0046 (7)0.0157 (7)
O30.0364 (9)0.0424 (10)0.0380 (9)0.0149 (8)0.0177 (7)0.0197 (8)
O40.0423 (10)0.0477 (10)0.0405 (10)0.0238 (8)0.0202 (8)0.0229 (8)
O50.0474 (11)0.0566 (11)0.0434 (10)0.0257 (9)0.0238 (9)0.0221 (9)
O60.0927 (18)0.0818 (16)0.0644 (14)0.0410 (14)0.0414 (13)0.0461 (13)
O70.151 (3)0.164 (3)0.159 (3)0.090 (3)0.098 (3)0.132 (3)
Ni10.02683 (16)0.03788 (18)0.03269 (17)0.01335 (13)0.01192 (13)0.01779 (13)
Ni20.0234 (2)0.0350 (2)0.0318 (2)0.00978 (17)0.01017 (17)0.01697 (18)
Geometric parameters (Å, º) top
C1—O11.329 (3)C18—C191.509 (4)
C1—C21.396 (3)C19—H19A0.960
C1—C61.402 (3)C19—H19B0.960
C2—C31.388 (4)C19—H19C0.960
C2—H20.930C20—O51.234 (3)
C3—C41.366 (4)C20—N31.320 (3)
C3—H30.930C20—H200.92 (3)
C4—C51.375 (5)C21—N31.444 (4)
C4—H40.930C21—H21A0.960
C5—C61.395 (4)C21—H21B0.960
C5—H50.930C21—H21C0.960
C6—C71.504 (4)C22—N31.445 (4)
C7—N21.484 (3)C22—H22A0.960
C7—H7A0.970C22—H22B0.960
C7—H7B0.970C22—H22C0.960
C8—N21.471 (3)C23—O71.177 (7)
C8—C91.525 (4)C23—N41.279 (6)
C8—H8A0.970C23—H230.930
C8—H8B0.970C24—N41.435 (9)
C9—O61.411 (4)C24—H24A0.960
C9—C101.504 (4)C24—H24B0.960
C9—H90.980C24—H24C0.960
C10—N11.468 (3)C25—N41.395 (9)
C10—H10A0.970C25—H25C0.960
C10—H10B0.970C25—H25B0.960
C11—N11.480 (3)C25—H25A0.960
C11—C121.491 (4)N1—Ni12.084 (2)
C11—H11A0.970N1—H1'0.81 (3)
C11—H11B0.970N2—Ni12.080 (2)
C12—C131.387 (4)N2—H2'0.81 (3)
C12—C171.408 (3)O1—Ni12.0339 (16)
C13—C141.369 (5)O1—Ni22.0453 (15)
C13—H130.930O2—Ni12.0189 (16)
C14—C151.380 (5)O2—Ni22.0374 (16)
C14—H140.930O3—Ni22.1044 (16)
C15—C161.384 (4)O4—Ni12.0412 (17)
C15—H150.930O5—Ni12.1545 (18)
C16—C171.394 (4)O6—H6A1.11 (4)
C16—H160.930Ni2—O2i2.0374 (16)
C17—O21.327 (3)Ni2—O1i2.0453 (15)
C18—O31.250 (3)Ni2—O3i2.1044 (16)
C18—O41.259 (3)
O1—C1—C2122.0 (2)H21A—C21—H21C109.5
O1—C1—C6119.6 (2)H21B—C21—H21C109.5
C2—C1—C6118.4 (2)N3—C22—H22A109.5
C3—C2—C1120.4 (3)N3—C22—H22B109.5
C3—C2—H2119.8H22A—C22—H22B109.5
C1—C2—H2119.8N3—C22—H22C109.5
C4—C3—C2121.1 (3)H22A—C22—H22C109.5
C4—C3—H3119.5H22B—C22—H22C109.5
C2—C3—H3119.5O7—C23—N4131.1 (7)
C3—C4—C5119.2 (3)O7—C23—H23114.5
C3—C4—H4120.4N4—C23—H23114.5
C5—C4—H4120.4N4—C24—H24A109.5
C4—C5—C6121.3 (3)N4—C24—H24B109.5
C4—C5—H5119.3H24A—C24—H24B109.5
C6—C5—H5119.3N4—C24—H24C109.5
C5—C6—C1119.5 (3)H24A—C24—H24C109.5
C5—C6—C7121.1 (3)H24B—C24—H24C109.5
C1—C6—C7119.3 (2)N4—C25—H25C109.5
N2—C7—C6113.6 (2)N4—C25—H25B109.5
N2—C7—H7A108.8H25C—C25—H25B109.5
C6—C7—H7A108.8N4—C25—H25A109.5
N2—C7—H7B108.8H25C—C25—H25A109.5
C6—C7—H7B108.8H25B—C25—H25A109.5
H7A—C7—H7B107.7C10—N1—C11111.0 (2)
N2—C8—C9112.8 (2)C10—N1—Ni1114.39 (17)
N2—C8—H8A109.0C11—N1—Ni1110.44 (15)
C9—C8—H8A109.0C10—N1—H1'106.9 (19)
N2—C8—H8B109.0C11—N1—H1'110.0 (19)
C9—C8—H8B109.0Ni1—N1—H1'104 (2)
H8A—C8—H8B107.8C8—N2—C7110.3 (2)
O6—C9—C10108.9 (2)C8—N2—Ni1115.29 (17)
O6—C9—C8110.4 (2)C7—N2—Ni1110.42 (16)
C10—C9—C8113.3 (2)C8—N2—H2'107 (2)
O6—C9—H9108.0C7—N2—H2'110 (2)
C10—C9—H9108.0Ni1—N2—H2'104 (2)
C8—C9—H9108.0C20—N3—C21121.0 (3)
N1—C10—C9112.3 (2)C20—N3—C22121.1 (3)
N1—C10—H10A109.1C21—N3—C22117.4 (3)
C9—C10—H10A109.1C23—N4—C25120.1 (6)
N1—C10—H10B109.1C23—N4—C24121.6 (8)
C9—C10—H10B109.1C25—N4—C24118.2 (6)
H10A—C10—H10B107.9C1—O1—Ni1122.38 (14)
N1—C11—C12113.9 (2)C1—O1—Ni2135.92 (15)
N1—C11—H11A108.8Ni1—O1—Ni296.17 (7)
C12—C11—H11A108.8C17—O2—Ni1122.60 (15)
N1—C11—H11B108.8C17—O2—Ni2135.79 (15)
C12—C11—H11B108.8Ni1—O2—Ni296.89 (7)
H11A—C11—H11B107.7C18—O3—Ni2130.82 (15)
C13—C12—C17119.5 (3)C18—O4—Ni1123.88 (16)
C13—C12—C11120.5 (2)C20—O5—Ni1120.68 (17)
C17—C12—C11119.9 (2)C9—O6—H6A103.1 (19)
C14—C13—C12121.7 (3)O2—Ni1—O181.90 (6)
C14—C13—H13119.1O2—Ni1—O493.19 (7)
C12—C13—H13119.1O1—Ni1—O490.77 (7)
C13—C14—C15119.0 (3)O2—Ni1—N2173.05 (8)
C13—C14—H14120.5O1—Ni1—N292.44 (8)
C15—C14—H14120.5O4—Ni1—N290.90 (8)
C14—C15—C16120.9 (3)O2—Ni1—N192.57 (8)
C14—C15—H15119.6O1—Ni1—N1173.91 (8)
C16—C15—H15119.6O4—Ni1—N192.09 (8)
C15—C16—C17120.5 (3)N2—Ni1—N192.90 (9)
C15—C16—H16119.7O2—Ni1—O593.57 (7)
C17—C16—H16119.7O1—Ni1—O591.17 (7)
O2—C17—C16122.5 (2)O4—Ni1—O5173.17 (7)
O2—C17—C12119.2 (2)N2—Ni1—O582.47 (9)
C16—C17—C12118.3 (2)N1—Ni1—O586.61 (8)
O3—C18—O4126.8 (2)O2i—Ni2—O2180.0
O3—C18—C19117.2 (2)O2i—Ni2—O198.83 (7)
O4—C18—C19116.1 (2)O2—Ni2—O181.17 (6)
C18—C19—H19A109.5O2i—Ni2—O1i81.17 (6)
C18—C19—H19B109.5O2—Ni2—O1i98.83 (7)
H19A—C19—H19B109.5O1—Ni2—O1i180.00 (6)
C18—C19—H19C109.5O2i—Ni2—O3i86.69 (7)
H19A—C19—H19C109.5O2—Ni2—O3i93.31 (7)
H19B—C19—H19C109.5O1—Ni2—O3i94.15 (7)
O5—C20—N3123.3 (3)O1i—Ni2—O3i85.85 (7)
O5—C20—H20125.3 (19)O2i—Ni2—O393.31 (7)
N3—C20—H20111.4 (19)O2—Ni2—O386.69 (7)
N3—C21—H21A109.5O1—Ni2—O385.85 (7)
N3—C21—H21B109.5O1i—Ni2—O394.15 (7)
H21A—C21—H21B109.5O3i—Ni2—O3180.00 (9)
N3—C21—H21C109.5
O1—C1—C2—C3177.5 (3)Ni2—O2—Ni1—O475.36 (7)
C6—C1—C2—C32.3 (4)C17—O2—Ni1—N133.29 (18)
C1—C2—C3—C40.1 (5)Ni2—O2—Ni1—N1167.59 (8)
C2—C3—C4—C51.8 (5)C17—O2—Ni1—O553.47 (18)
C3—C4—C5—C61.0 (5)Ni2—O2—Ni1—O5105.65 (7)
C4—C5—C6—C11.4 (4)C1—O1—Ni1—O2142.66 (18)
C4—C5—C6—C7174.6 (3)Ni2—O1—Ni1—O214.89 (7)
O1—C1—C6—C5176.8 (2)C1—O1—Ni1—O4124.23 (18)
C2—C1—C6—C53.0 (4)Ni2—O1—Ni1—O478.22 (7)
O1—C1—C6—C77.1 (4)C1—O1—Ni1—N233.29 (19)
C2—C1—C6—C7173.1 (3)Ni2—O1—Ni1—N2169.16 (8)
C5—C6—C7—N2118.6 (3)C1—O1—Ni1—O549.22 (18)
C1—C6—C7—N265.3 (3)Ni2—O1—Ni1—O5108.33 (7)
N2—C8—C9—O651.2 (3)C18—O4—Ni1—O242.82 (19)
N2—C8—C9—C1071.3 (3)C18—O4—Ni1—O139.10 (19)
O6—C9—C10—N150.1 (3)C18—O4—Ni1—N2131.55 (19)
C8—C9—C10—N173.3 (3)C18—O4—Ni1—N1135.51 (19)
N1—C11—C12—C13119.7 (3)C8—N2—Ni1—O1142.47 (19)
N1—C11—C12—C1764.3 (3)C7—N2—Ni1—O116.68 (18)
C17—C12—C13—C141.2 (5)C8—N2—Ni1—O451.7 (2)
C11—C12—C13—C14174.9 (3)C7—N2—Ni1—O474.13 (18)
C12—C13—C14—C151.0 (6)C8—N2—Ni1—N140.5 (2)
C13—C14—C15—C161.0 (6)C7—N2—Ni1—N1166.27 (18)
C14—C15—C16—C171.3 (5)C8—N2—Ni1—O5126.7 (2)
C15—C16—C17—O2177.4 (3)C7—N2—Ni1—O5107.54 (18)
C15—C16—C17—C123.5 (4)C10—N1—Ni1—O2142.47 (17)
C13—C12—C17—O2177.4 (2)C11—N1—Ni1—O216.41 (18)
C11—C12—C17—O26.5 (4)C10—N1—Ni1—O449.18 (18)
C13—C12—C17—C163.4 (4)C11—N1—Ni1—O476.87 (17)
C11—C12—C17—C16172.7 (2)C10—N1—Ni1—N241.83 (19)
C9—C10—N1—C11173.0 (2)C11—N1—Ni1—N2167.88 (18)
C9—C10—N1—Ni161.2 (3)C10—N1—Ni1—O5124.11 (18)
C12—C11—N1—C10172.0 (2)C11—N1—Ni1—O5109.84 (17)
C12—C11—N1—Ni160.0 (2)C20—O5—Ni1—O248.7 (2)
C9—C8—N2—C7176.4 (2)C20—O5—Ni1—O133.3 (2)
C9—C8—N2—Ni157.7 (3)C20—O5—Ni1—N2125.6 (2)
C6—C7—N2—C8170.6 (2)C20—O5—Ni1—N1141.1 (2)
C6—C7—N2—Ni160.8 (3)C17—O2—Ni2—O1139.6 (2)
O5—C20—N3—C215.4 (5)Ni1—O2—Ni2—O114.91 (6)
O5—C20—N3—C22177.7 (3)C17—O2—Ni2—O1i40.4 (2)
O7—C23—N4—C251.7 (8)Ni1—O2—Ni2—O1i165.09 (6)
O7—C23—N4—C24175.8 (5)C17—O2—Ni2—O3i45.9 (2)
C2—C1—O1—Ni1138.0 (2)Ni1—O2—Ni2—O3i108.60 (7)
C6—C1—O1—Ni141.8 (3)C17—O2—Ni2—O3134.1 (2)
C2—C1—O1—Ni28.9 (4)Ni1—O2—Ni2—O371.40 (7)
C6—C1—O1—Ni2171.28 (17)C1—O1—Ni2—O2i42.4 (2)
C16—C17—O2—Ni1138.8 (2)Ni1—O1—Ni2—O2i165.22 (6)
C12—C17—O2—Ni142.1 (3)C1—O1—Ni2—O2137.6 (2)
C16—C17—O2—Ni210.7 (4)Ni1—O1—Ni2—O214.78 (6)
C12—C17—O2—Ni2168.41 (17)C1—O1—Ni2—O3i44.9 (2)
O4—C18—O3—Ni29.9 (4)Ni1—O1—Ni2—O3i107.49 (7)
C19—C18—O3—Ni2169.85 (18)C1—O1—Ni2—O3135.1 (2)
O3—C18—O4—Ni17.4 (4)Ni1—O1—Ni2—O372.51 (7)
C19—C18—O4—Ni1172.35 (18)C18—O3—Ni2—O2i134.1 (2)
N3—C20—O5—Ni1146.7 (2)C18—O3—Ni2—O245.9 (2)
C17—O2—Ni1—O1144.15 (18)C18—O3—Ni2—O135.5 (2)
Ni2—O2—Ni1—O114.97 (7)C18—O3—Ni2—O1i144.5 (2)
C17—O2—Ni1—O4125.53 (17)
Symmetry code: (i) x, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1···O60.81 (3)2.39 (3)2.765 (3)109 (2)
N2—H2···O60.81 (3)2.49 (3)2.836 (3)107 (2)
O6—H6A···O7i1.11 (4)1.57 (4)2.660 (4)168 (3)
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds