Download citation
Download citation
link to html
In the crystal structure of the title compound, K2[Ni(C16H14N2O2)]6[Ni(CN)4]·6CH3OH·2H2O, at 180 K, the nickel(II)-Schiff base units form dimeric associations across inversion centres. The K+ cations occupy distorted octahedral sites surrounded by O atoms of the nickel(II)-Schiff base units, and the centrosymmetric [Ni(CN)4]2- anions participate in a two-dimensional hydrogen-bond network that includes the uncoordinated methanol and water molecules.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680403154X/hb6126sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680403154X/hb6126Isup2.hkl
Contains datablock I

CCDC reference: 262267

Key indicators

  • Single-crystal X-ray study
  • T = 180 K
  • Mean [sigma](C-C) = 0.010 Å
  • R factor = 0.055
  • wR factor = 0.145
  • Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............ 24.71 Deg.
Author Response: a combination of a relatively small crystal and a relatively large unit cell gave weak diffraction. The shell 0.90-0.85 /%A has mean I/\s(I) ca. 1 and R(sigma) 0.99. A resolution cut-off of 0.85 \%A has been applied - even this is perhaps a little optimistic... A note to this effect is placed in the Experimental Section.

Alert level B PLAT413_ALERT_2_B Short Inter XH3 .. XHn H2S3 .. H3S1 .. 2.02 Ang.
Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.149 THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5882 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.15 PLAT023_ALERT_3_C Resolution (too) Low [sin(th)/Lambda < 0.6]..... 24.71 Deg. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 7 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.60 Ratio PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 10 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 9 PLAT731_ALERT_1_C Bond Calc 1.383(19), Rep 1.382(9) ...... 2.11 su-Rat O3S -C3S 1.555 1.555
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 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 7 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: APEX2 (Bruker-Nonius, 2004); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Dipotassium hexakis({2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) tetracyanonickel(II) methanol hexasolvate dihydrate top
Crystal data top
K2[Ni(C16H14N2O2)]6[Ni(CN)4]·6CH4O·2H2OF(000) = 5016
Mr = 2419.29Dx = 1.520 Mg m3
Orthorhombic, PbcaMo Kα radiation, λ = 0.7107 Å
Hall symbol: -P 2ac 2abCell parameters from 3789 reflections
a = 14.3214 (14) Åθ = 2.7–19.7°
b = 24.855 (2) ŵ = 1.38 mm1
c = 29.709 (3) ÅT = 180 K
V = 10575.3 (16) Å3Lath, orange
Z = 40.25 × 0.06 × 0.02 mm
Data collection top
Bruker-Nonius X8 APEXII CCD
diffractometer
8982 independent reflections
Radiation source: fine-focus sealed tube4508 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.149
thin–slice ω and φ scansθmax = 24.7°, θmin = 3.6°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
h = 1616
Tmin = 0.718, Tmax = 0.973k = 2927
67154 measured reflectionsl = 3434
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)] = 0.055Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.145H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.0539P)2 + 17.6992P]
where P = (Fo2 + 2Fc2)/3
8982 reflections(Δ/σ)max < 0.001
647 parametersΔρmax = 1.03 e Å3
3 restraintsΔρmin = 0.63 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
K10.04691 (9)0.01172 (6)0.15097 (4)0.0336 (4)
Ni10.05630 (5)0.01433 (3)0.04774 (3)0.0290 (2)
Ni20.07869 (5)0.02058 (3)0.25484 (3)0.0304 (2)
Ni30.20086 (5)0.02070 (3)0.24059 (3)0.0345 (2)
Ni40.00000.00000.50000.0481 (4)
O10.0675 (3)0.02337 (15)0.06400 (13)0.0324 (10)
O20.0470 (3)0.05040 (15)0.07833 (13)0.0310 (10)
O30.0375 (3)0.04314 (16)0.22947 (13)0.0338 (11)
O40.0840 (3)0.04543 (16)0.19618 (13)0.0327 (11)
O50.2055 (3)0.05522 (18)0.18514 (13)0.0362 (11)
O60.1631 (3)0.03845 (17)0.20747 (14)0.0365 (11)
N20.1818 (4)0.0072 (2)0.03556 (16)0.0330 (13)
N10.0629 (4)0.0785 (2)0.01686 (16)0.0302 (13)
N30.0790 (3)0.0059 (2)0.31277 (17)0.0333 (13)
N40.1136 (3)0.0851 (2)0.28007 (17)0.0300 (13)
N50.2449 (4)0.0788 (2)0.27213 (17)0.0356 (14)
N60.1854 (4)0.0125 (2)0.29566 (17)0.0386 (14)
N70.0560 (5)0.0659 (3)0.5807 (3)0.073 (2)
N80.0181 (5)0.0987 (3)0.4428 (2)0.079 (2)
C10.1214 (5)0.0659 (3)0.0563 (2)0.0327 (16)
C20.2154 (5)0.0631 (3)0.0696 (2)0.0385 (17)
H2A0.23870.03120.08320.046*
C30.2739 (5)0.1062 (3)0.0630 (2)0.0461 (19)
H3A0.33730.10350.07210.055*
C40.2428 (5)0.1532 (3)0.0435 (2)0.050 (2)
H4A0.28360.18310.04010.060*
C50.1518 (5)0.1561 (3)0.0292 (2)0.0420 (18)
H5A0.13030.18810.01520.050*
C60.0895 (5)0.1127 (2)0.0348 (2)0.0313 (16)
C70.0009 (5)0.1158 (3)0.01513 (19)0.0339 (16)
H7A0.01660.14790.00050.041*
C80.1495 (5)0.0839 (3)0.0104 (2)0.0385 (17)
H8A0.16530.12230.01480.046*
H8B0.14120.06700.04030.046*
C90.2250 (5)0.0559 (3)0.0155 (2)0.0426 (18)
H9A0.27700.04570.00480.051*
H9B0.24980.07970.03940.051*
C100.2341 (5)0.0335 (3)0.0442 (2)0.0371 (17)
H10A0.29810.03100.03610.045*
C110.2032 (4)0.0829 (2)0.0652 (2)0.0318 (16)
C120.2670 (5)0.1251 (3)0.0700 (2)0.0434 (18)
H12A0.32960.12000.06030.052*
C130.2417 (6)0.1733 (3)0.0882 (2)0.051 (2)
H13A0.28560.20170.09110.062*
C140.1497 (5)0.1798 (3)0.1025 (2)0.048 (2)
H14A0.13080.21310.11520.057*
C150.0858 (5)0.1387 (3)0.0985 (2)0.0408 (18)
H15A0.02350.14440.10840.049*
C160.1104 (5)0.0888 (2)0.0803 (2)0.0298 (16)
C170.0133 (4)0.0874 (3)0.2500 (2)0.0339 (16)
C180.0139 (4)0.1321 (3)0.2247 (2)0.0394 (18)
H18A0.01230.13010.19280.047*
C190.0429 (5)0.1790 (3)0.2451 (3)0.050 (2)
H19A0.06160.20850.22680.060*
C200.0455 (5)0.1843 (3)0.2921 (3)0.059 (2)
H20A0.06670.21650.30600.070*
C210.0163 (5)0.1414 (3)0.3172 (3)0.052 (2)
H21A0.01630.14420.34910.063*
C220.0135 (5)0.0937 (3)0.2971 (2)0.0412 (18)
C230.0494 (4)0.0521 (3)0.3263 (2)0.0395 (18)
H23A0.05130.05930.35770.047*
C240.1256 (5)0.0299 (3)0.3454 (2)0.0378 (17)
H24A0.19360.02270.34600.045*
H24B0.10020.02420.37600.045*
C250.1070 (5)0.0866 (3)0.3300 (2)0.0431 (19)
H25A0.04400.09840.33960.052*
H25B0.15380.11160.34270.052*
C260.1374 (4)0.1281 (3)0.2597 (2)0.0371 (17)
H26A0.15360.15820.27780.045*
C270.1417 (4)0.1349 (2)0.2117 (2)0.0308 (16)
C280.1739 (5)0.1830 (3)0.1939 (3)0.0465 (19)
H28A0.19200.21100.21380.056*
C290.1803 (5)0.1914 (3)0.1483 (3)0.053 (2)
H29A0.20190.22480.13680.064*
C300.1546 (5)0.1502 (3)0.1196 (3)0.055 (2)
H30A0.15940.15530.08800.066*
C310.1225 (5)0.1025 (3)0.1359 (2)0.0455 (19)
H31A0.10450.07510.11540.055*
C320.1153 (5)0.0925 (3)0.1828 (2)0.0355 (17)
C330.2230 (5)0.1069 (3)0.1782 (2)0.0384 (17)
C340.2098 (6)0.1269 (3)0.1338 (3)0.062 (2)
H34A0.19080.10300.11050.074*
C350.2241 (6)0.1802 (4)0.1241 (3)0.078 (3)
H35A0.21310.19300.09440.094*
C360.2547 (6)0.2162 (3)0.1572 (3)0.072 (3)
H36A0.26580.25290.15040.086*
C370.2681 (5)0.1968 (3)0.1996 (3)0.055 (2)
H37A0.28840.22090.22230.066*
C380.2532 (4)0.1431 (3)0.2109 (2)0.0380 (17)
C390.2640 (4)0.1263 (3)0.2567 (2)0.0415 (17)
H39A0.28710.15220.27750.050*
C400.2662 (5)0.0667 (3)0.3198 (2)0.054 (2)
H40A0.25640.09920.33850.065*
H40B0.33220.05540.32290.065*
C410.2032 (5)0.0229 (3)0.3348 (2)0.051 (2)
H41A0.23270.00220.35950.062*
H41B0.14370.03820.34610.062*
C420.1582 (5)0.0609 (3)0.3029 (2)0.0427 (18)
H42A0.15290.07200.33340.051*
C430.1349 (4)0.1002 (3)0.2689 (2)0.0400 (18)
C440.1078 (5)0.1522 (3)0.2820 (3)0.050 (2)
H44A0.10450.16110.31310.060*
C450.0863 (5)0.1900 (3)0.2503 (3)0.054 (2)
H45A0.06740.22510.25920.065*
C460.0923 (5)0.1769 (3)0.2049 (3)0.053 (2)
H46A0.07780.20360.18300.064*
C470.1187 (5)0.1265 (3)0.1908 (3)0.0455 (19)
H47A0.12300.11900.15950.055*
C480.1396 (4)0.0855 (3)0.2227 (2)0.0364 (17)
C490.0338 (5)0.0402 (3)0.5502 (3)0.053 (2)
C500.0114 (6)0.0605 (3)0.4638 (3)0.056 (2)
O1W0.1292 (4)0.2279 (2)0.0017 (2)0.104 (2)*
H1W0.09870.24660.01660.156*
H2W0.18130.21860.00910.156*
O1S0.4256 (5)0.1772 (3)0.1002 (2)0.111 (2)*
H1S0.43050.14420.09440.166*
C1S0.5156 (7)0.2043 (5)0.0906 (4)0.149 (5)*
H1S10.50300.24040.07900.223*
H1S20.55060.18370.06810.223*
H1S30.55250.20690.11830.223*
O2S0.0287 (6)0.2894 (3)0.0592 (3)0.162 (3)*
H2S0.01480.32220.05860.242*
C2S0.0261 (6)0.2614 (3)0.0907 (3)0.082 (3)*
H2S10.00820.27180.12140.123*
H2S20.01550.22280.08660.123*
H2S30.09230.26960.08590.123*
O3S0.2879 (8)0.2001 (4)0.0315 (4)0.187 (4)*
H3S0.32820.19320.05120.281*
C3S0.3509 (11)0.1897 (6)0.0027 (5)0.211 (7)*
H3S10.34080.21530.02730.317*
H3S20.34120.15300.01380.317*
H3S30.41480.19330.00860.317*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
K10.0346 (8)0.0429 (9)0.0232 (7)0.0027 (7)0.0006 (6)0.0039 (7)
Ni10.0343 (5)0.0302 (5)0.0226 (4)0.0013 (4)0.0010 (4)0.0030 (4)
Ni20.0302 (4)0.0365 (5)0.0245 (4)0.0002 (4)0.0027 (4)0.0003 (4)
Ni30.0310 (5)0.0436 (5)0.0288 (5)0.0009 (4)0.0042 (4)0.0064 (4)
Ni40.0381 (8)0.0612 (9)0.0449 (8)0.0038 (6)0.0058 (7)0.0118 (7)
O10.038 (3)0.031 (2)0.029 (2)0.003 (2)0.004 (2)0.008 (2)
O20.036 (3)0.031 (2)0.027 (3)0.003 (2)0.002 (2)0.006 (2)
O30.042 (3)0.034 (3)0.025 (2)0.004 (2)0.007 (2)0.004 (2)
O40.038 (3)0.035 (3)0.025 (2)0.005 (2)0.000 (2)0.000 (2)
O50.039 (3)0.048 (3)0.022 (2)0.005 (2)0.003 (2)0.005 (2)
O60.042 (3)0.040 (3)0.027 (3)0.001 (2)0.007 (2)0.009 (2)
N20.036 (3)0.038 (3)0.025 (3)0.001 (3)0.003 (2)0.002 (3)
N10.032 (3)0.035 (3)0.023 (3)0.003 (3)0.001 (3)0.002 (3)
N30.022 (3)0.049 (4)0.029 (3)0.003 (3)0.005 (2)0.000 (3)
N40.029 (3)0.035 (3)0.026 (3)0.001 (2)0.004 (3)0.003 (3)
N50.031 (3)0.046 (4)0.030 (3)0.001 (3)0.004 (3)0.005 (3)
N60.034 (3)0.048 (4)0.034 (3)0.000 (3)0.006 (3)0.002 (3)
N70.063 (5)0.100 (6)0.055 (5)0.019 (4)0.014 (4)0.002 (5)
N80.079 (6)0.082 (6)0.076 (6)0.009 (4)0.002 (4)0.025 (5)
C10.046 (4)0.036 (4)0.016 (4)0.005 (3)0.001 (3)0.002 (3)
C20.036 (4)0.051 (5)0.028 (4)0.005 (3)0.005 (3)0.008 (3)
C30.047 (5)0.060 (5)0.032 (4)0.011 (4)0.005 (4)0.007 (4)
C40.050 (5)0.055 (5)0.046 (5)0.023 (4)0.001 (4)0.001 (4)
C50.059 (5)0.033 (4)0.034 (4)0.003 (4)0.010 (4)0.004 (3)
C60.039 (4)0.031 (4)0.024 (4)0.001 (3)0.005 (3)0.002 (3)
C70.045 (5)0.035 (4)0.022 (4)0.010 (4)0.007 (3)0.006 (3)
C80.046 (5)0.037 (4)0.033 (4)0.002 (3)0.002 (4)0.007 (3)
C90.036 (4)0.052 (5)0.040 (4)0.008 (3)0.009 (4)0.004 (4)
C100.031 (4)0.050 (5)0.030 (4)0.001 (3)0.001 (3)0.007 (3)
C110.036 (4)0.033 (4)0.026 (4)0.003 (3)0.007 (3)0.004 (3)
C120.042 (4)0.047 (5)0.041 (4)0.010 (4)0.000 (4)0.002 (4)
C130.062 (6)0.036 (4)0.056 (5)0.005 (4)0.006 (4)0.001 (4)
C140.061 (6)0.033 (4)0.049 (5)0.001 (4)0.013 (4)0.008 (4)
C150.048 (5)0.039 (4)0.035 (4)0.001 (4)0.006 (4)0.003 (3)
C160.042 (4)0.030 (4)0.017 (4)0.004 (3)0.001 (3)0.001 (3)
C170.028 (4)0.037 (4)0.037 (4)0.002 (3)0.002 (3)0.007 (4)
C180.036 (4)0.036 (4)0.047 (4)0.005 (3)0.008 (4)0.004 (4)
C190.049 (5)0.034 (4)0.068 (6)0.001 (3)0.015 (4)0.006 (4)
C200.064 (6)0.047 (5)0.064 (6)0.007 (4)0.011 (5)0.015 (5)
C210.057 (5)0.045 (5)0.054 (5)0.004 (4)0.001 (4)0.021 (4)
C220.038 (4)0.037 (4)0.048 (5)0.001 (3)0.004 (4)0.014 (4)
C230.038 (4)0.047 (5)0.033 (4)0.005 (4)0.007 (3)0.010 (4)
C240.035 (4)0.057 (5)0.021 (4)0.001 (3)0.003 (3)0.003 (4)
C250.049 (5)0.054 (5)0.026 (4)0.002 (4)0.001 (3)0.012 (4)
C260.031 (4)0.038 (4)0.042 (5)0.007 (3)0.010 (3)0.005 (4)
C270.026 (4)0.026 (4)0.040 (4)0.004 (3)0.003 (3)0.002 (3)
C280.048 (5)0.034 (4)0.057 (5)0.002 (4)0.013 (4)0.002 (4)
C290.060 (5)0.043 (5)0.056 (5)0.011 (4)0.004 (4)0.025 (4)
C300.063 (6)0.053 (5)0.049 (5)0.011 (4)0.002 (4)0.004 (4)
C310.064 (5)0.036 (4)0.036 (5)0.009 (4)0.001 (4)0.003 (4)
C320.038 (4)0.037 (4)0.032 (4)0.001 (3)0.003 (3)0.003 (4)
C330.037 (4)0.043 (5)0.035 (4)0.003 (3)0.001 (3)0.003 (4)
C340.083 (7)0.060 (6)0.041 (5)0.023 (5)0.000 (5)0.002 (4)
C350.105 (8)0.074 (7)0.056 (6)0.027 (6)0.006 (6)0.017 (5)
C360.091 (7)0.052 (6)0.072 (7)0.029 (5)0.006 (6)0.007 (5)
C370.060 (5)0.057 (6)0.049 (5)0.024 (4)0.002 (4)0.007 (4)
C380.028 (4)0.050 (5)0.036 (4)0.011 (3)0.004 (3)0.007 (4)
C390.032 (4)0.050 (5)0.042 (5)0.004 (3)0.006 (4)0.012 (4)
C400.055 (5)0.073 (6)0.035 (5)0.005 (4)0.013 (4)0.008 (4)
C410.059 (5)0.070 (6)0.025 (4)0.005 (4)0.003 (4)0.003 (4)
C420.035 (4)0.059 (5)0.034 (4)0.011 (4)0.002 (3)0.011 (4)
C430.026 (4)0.043 (5)0.050 (5)0.009 (3)0.001 (3)0.003 (4)
C440.038 (5)0.048 (5)0.064 (6)0.005 (4)0.003 (4)0.015 (5)
C450.040 (4)0.040 (5)0.083 (7)0.003 (3)0.006 (5)0.002 (5)
C460.056 (5)0.041 (5)0.062 (6)0.015 (4)0.006 (4)0.012 (4)
C470.044 (5)0.034 (4)0.059 (5)0.004 (4)0.000 (4)0.007 (4)
C480.027 (4)0.035 (4)0.047 (5)0.008 (3)0.008 (3)0.004 (4)
C490.039 (5)0.065 (6)0.054 (6)0.001 (4)0.013 (4)0.011 (5)
C500.054 (5)0.065 (6)0.050 (5)0.002 (4)0.002 (4)0.011 (5)
Geometric parameters (Å, º) top
K1—O62.672 (4)C18—C191.377 (8)
K1—O42.708 (4)C18—H18A0.950
K1—O52.713 (4)C19—C201.404 (10)
K1—O22.719 (4)C19—H19A0.950
K1—O32.741 (4)C20—C211.365 (10)
K1—O12.743 (4)C20—H20A0.950
Ni1—N21.842 (5)C21—C221.395 (9)
Ni1—N11.842 (5)C21—H21A0.950
Ni1—O11.851 (4)C22—C231.446 (9)
Ni1—O21.852 (4)C23—H23A0.950
Ni2—N41.840 (5)C24—C251.505 (8)
Ni2—N31.843 (5)C24—H24A0.990
Ni2—O41.850 (4)C24—H24B0.990
Ni2—O31.851 (4)C25—H25A0.990
Ni3—N51.833 (5)C25—H25B0.990
Ni3—N61.846 (5)C26—C271.437 (9)
Ni3—O61.850 (4)C26—H26A0.950
Ni3—O51.859 (4)C27—C281.387 (8)
Ni4—C501.855 (8)C27—C321.411 (8)
Ni4—C50i1.855 (9)C28—C291.372 (9)
Ni4—C49i1.858 (9)C28—H28A0.950
Ni4—C491.858 (9)C29—C301.383 (9)
O1—C11.328 (7)C29—H29A0.950
O2—C161.318 (7)C30—C311.361 (9)
O3—C171.305 (7)C30—H30A0.950
O4—C321.314 (7)C31—C321.418 (9)
O5—C331.324 (7)C31—H31A0.950
O6—C481.299 (7)C33—C381.393 (8)
N2—C101.284 (7)C33—C341.424 (10)
N2—C91.485 (7)C34—C351.372 (10)
N1—C71.285 (7)C34—H34A0.950
N1—C81.488 (8)C35—C361.399 (10)
N3—C231.287 (7)C35—H35A0.950
N3—C241.476 (7)C36—C371.360 (10)
N4—C261.274 (7)C36—H36A0.950
N4—C251.486 (8)C37—C381.394 (9)
N5—C391.298 (8)C37—H37A0.950
N5—C401.479 (8)C38—C391.429 (9)
N6—C421.283 (8)C39—H39A0.950
N6—C411.482 (8)C40—C411.484 (9)
N7—C491.155 (9)C40—H40A0.990
N8—C501.141 (8)C40—H40B0.990
C1—C61.403 (8)C41—H41A0.990
C1—C21.405 (8)C41—H41B0.990
C2—C31.374 (8)C42—C431.443 (9)
C2—H2A0.950C42—H42A0.950
C3—C41.377 (9)C43—C441.405 (9)
C3—H3A0.950C43—C481.422 (9)
C4—C51.373 (9)C44—C451.366 (10)
C4—H4A0.950C44—H44A0.950
C5—C61.410 (9)C45—C461.391 (10)
C5—H5A0.950C45—H45A0.950
C6—C71.422 (9)C46—C471.374 (9)
C7—H7A0.950C46—H46A0.950
C8—C91.499 (8)C47—C481.423 (9)
C8—H8A0.990C47—H47A0.950
C8—H8B0.990O1W—H1W0.84
C9—H9A0.990O1W—H2W0.84
C9—H9B0.990O1S—C1S1.483 (8)
C10—C111.446 (8)O1S—H1S0.84
C10—H10A0.950C1S—H1S10.980
C11—C121.398 (8)C1S—H1S20.980
C11—C161.410 (8)C1S—H1S30.980
C12—C131.365 (9)O2S—C2S1.405 (7)
C12—H12A0.950O2S—H2S0.84
C13—C141.392 (9)C2S—H2S10.980
C13—H13A0.950C2S—H2S20.980
C14—C151.376 (9)C2S—H2S30.980
C14—H14A0.950O3S—C3S1.382 (9)
C15—C161.401 (8)O3S—H3S0.84
C15—H15A0.950C3S—H3S10.980
C17—C181.397 (8)C3S—H3S20.980
C17—C221.407 (9)C3S—H3S30.980
O6—K1—O482.80 (13)C18—C17—C22116.6 (6)
O6—K1—O555.23 (14)C19—C18—C17121.4 (7)
O4—K1—O5127.09 (13)C19—C18—H18A119.3
O6—K1—O2166.34 (13)C17—C18—H18A119.3
O4—K1—O2103.69 (13)C18—C19—C20121.6 (7)
O5—K1—O2124.78 (13)C18—C19—H19A119.2
O6—K1—O382.71 (13)C20—C19—H19A119.2
O4—K1—O354.70 (12)C21—C20—C19117.5 (7)
O5—K1—O386.41 (13)C21—C20—H20A121.3
O2—K1—O3110.89 (13)C19—C20—H20A121.3
O6—K1—O1112.12 (13)C20—C21—C22121.6 (8)
O4—K1—O1112.00 (13)C20—C21—H21A119.2
O5—K1—O1112.92 (13)C22—C21—H21A119.2
O2—K1—O154.38 (12)C21—C22—C17121.3 (7)
O3—K1—O1159.98 (13)C21—C22—C23117.4 (7)
N2—Ni1—N186.3 (2)C17—C22—C23121.2 (6)
N2—Ni1—O1175.9 (2)N3—C23—C22124.5 (6)
N1—Ni1—O194.2 (2)N3—C23—H23A117.7
N2—Ni1—O294.7 (2)C22—C23—H23A117.7
N1—Ni1—O2178.7 (2)N3—C24—C25106.5 (5)
O1—Ni1—O284.76 (17)N3—C24—H24A110.4
N4—Ni2—N386.0 (2)C25—C24—H24A110.4
N4—Ni2—O494.7 (2)N3—C24—H24B110.4
N3—Ni2—O4177.1 (2)C25—C24—H24B110.4
N4—Ni2—O3177.2 (2)H24A—C24—H24B108.6
N3—Ni2—O394.3 (2)N4—C25—C24105.6 (5)
O4—Ni2—O385.14 (18)N4—C25—H25A110.6
N5—Ni3—N686.6 (2)C24—C25—H25A110.6
N5—Ni3—O6176.8 (2)N4—C25—H25B110.6
N6—Ni3—O694.6 (2)C24—C25—H25B110.6
N5—Ni3—O594.4 (2)H25A—C25—H25B108.7
N6—Ni3—O5175.1 (2)N4—C26—C27125.5 (6)
O6—Ni3—O584.60 (19)N4—C26—H26A117.2
C50—Ni4—C50i180.0C27—C26—H26A117.2
C50—Ni4—C49i89.6 (3)C28—C27—C32120.0 (6)
C50i—Ni4—C49i90.4 (3)C28—C27—C26119.6 (6)
C50—Ni4—C4990.4 (3)C32—C27—C26120.3 (6)
C50i—Ni4—C4989.6 (3)C29—C28—C27122.0 (7)
C49i—Ni4—C49180.0C29—C28—H28A119.0
C1—O1—Ni1127.5 (4)C27—C28—H28A119.0
C1—O1—K1118.5 (3)C28—C29—C30118.5 (7)
Ni1—O1—K196.00 (16)C28—C29—H29A120.7
C16—O2—Ni1126.9 (4)C30—C29—H29A120.7
C16—O2—K1124.2 (3)C31—C30—C29121.1 (7)
Ni1—O2—K196.77 (16)C31—C30—H30A119.5
C17—O3—Ni2128.0 (4)C29—C30—H30A119.5
C17—O3—K1121.4 (4)C30—C31—C32121.8 (7)
Ni2—O3—K1104.07 (17)C30—C31—H31A119.1
C32—O4—Ni2126.6 (4)C32—C31—H31A119.1
C32—O4—K1123.6 (4)O4—C32—C27124.9 (6)
Ni2—O4—K1105.28 (17)O4—C32—C31118.5 (6)
C33—O5—Ni3126.3 (4)C27—C32—C31116.6 (6)
C33—O5—K1119.1 (4)O5—C33—C38125.2 (6)
Ni3—O5—K196.75 (17)O5—C33—C34117.2 (6)
C48—O6—Ni3127.3 (4)C38—C33—C34117.5 (6)
C48—O6—K1118.6 (4)C35—C34—C33120.8 (7)
Ni3—O6—K198.36 (18)C35—C34—H34A119.6
C10—N2—C9118.7 (5)C33—C34—H34A119.6
C10—N2—Ni1127.3 (5)C34—C35—C36121.1 (8)
C9—N2—Ni1114.0 (4)C34—C35—H35A119.5
C7—N1—C8119.3 (5)C36—C35—H35A119.5
C7—N1—Ni1127.5 (5)C37—C36—C35118.0 (7)
C8—N1—Ni1113.1 (4)C37—C36—H36A121.0
C23—N3—C24118.8 (5)C35—C36—H36A121.0
C23—N3—Ni2127.6 (5)C36—C37—C38122.8 (7)
C24—N3—Ni2113.5 (4)C36—C37—H37A118.6
C26—N4—C25118.1 (5)C38—C37—H37A118.6
C26—N4—Ni2127.6 (5)C33—C38—C37119.8 (6)
C25—N4—Ni2114.2 (4)C33—C38—C39120.5 (6)
C39—N5—C40118.6 (6)C37—C38—C39119.5 (6)
C39—N5—Ni3127.5 (5)N5—C39—C38125.4 (6)
C40—N5—Ni3113.7 (4)N5—C39—H39A117.3
C42—N6—C41118.6 (6)C38—C39—H39A117.3
C42—N6—Ni3127.2 (5)N5—C40—C41108.1 (6)
C41—N6—Ni3114.2 (4)N5—C40—H40A110.1
O1—C1—C6123.3 (6)C41—C40—H40A110.1
O1—C1—C2118.0 (6)N5—C40—H40B110.1
C6—C1—C2118.7 (6)C41—C40—H40B110.1
C3—C2—C1120.4 (6)H40A—C40—H40B108.4
C3—C2—H2A119.8N6—C41—C40107.7 (5)
C1—C2—H2A119.8N6—C41—H41A110.2
C2—C3—C4121.6 (7)C40—C41—H41A110.2
C2—C3—H3A119.2N6—C41—H41B110.2
C4—C3—H3A119.2C40—C41—H41B110.2
C5—C4—C3118.7 (6)H41A—C41—H41B108.5
C5—C4—H4A120.6N6—C42—C43125.9 (6)
C3—C4—H4A120.6N6—C42—H42A117.1
C4—C5—C6121.7 (6)C43—C42—H42A117.1
C4—C5—H5A119.2C44—C43—C48121.0 (7)
C6—C5—H5A119.2C44—C43—C42119.5 (7)
C1—C6—C5118.8 (6)C48—C43—C42119.5 (6)
C1—C6—C7121.9 (6)C45—C44—C43120.3 (7)
C5—C6—C7119.1 (6)C45—C44—H44A119.8
N1—C7—C6125.0 (6)C43—C44—H44A119.8
N1—C7—H7A117.5C44—C45—C46119.6 (7)
C6—C7—H7A117.5C44—C45—H45A120.2
N1—C8—C9106.3 (5)C46—C45—H45A120.2
N1—C8—H8A110.5C47—C46—C45121.7 (7)
C9—C8—H8A110.5C47—C46—H46A119.2
N1—C8—H8B110.5C45—C46—H46A119.2
C9—C8—H8B110.5C46—C47—C48120.6 (7)
H8A—C8—H8B108.7C46—C47—H47A119.7
N2—C9—C8106.5 (5)C48—C47—H47A119.7
N2—C9—H9A110.4O6—C48—C43125.4 (6)
C8—C9—H9A110.4O6—C48—C47117.9 (6)
N2—C9—H9B110.4C43—C48—C47116.7 (6)
C8—C9—H9B110.4N7—C49—Ni4178.4 (7)
H9A—C9—H9B108.6N8—C50—Ni4177.7 (8)
N2—C10—C11125.2 (6)H1W—O1W—H2W111.6
N2—C10—H10A117.4C1S—O1S—H1S109.3
C11—C10—H10A117.4O1S—C1S—H1S1108.9
C12—C11—C16120.4 (6)O1S—C1S—H1S2109.8
C12—C11—C10118.7 (6)H1S1—C1S—H1S2109.5
C16—C11—C10120.9 (6)O1S—C1S—H1S3109.7
C13—C12—C11121.7 (7)H1S1—C1S—H1S3109.5
C13—C12—H12A119.2H1S2—C1S—H1S3109.5
C11—C12—H12A119.2C2S—O2S—H2S111.2
C12—C13—C14118.3 (7)O2S—C2S—H2S1110.2
C12—C13—H13A120.9O2S—C2S—H2S2108.3
C14—C13—H13A120.9H2S1—C2S—H2S2109.5
C15—C14—C13121.2 (7)O2S—C2S—H2S3109.9
C15—C14—H14A119.4H2S1—C2S—H2S3109.5
C13—C14—H14A119.4H2S2—C2S—H2S3109.5
C14—C15—C16121.5 (7)C3S—O3S—H3S91.6
C14—C15—H15A119.3O3S—C3S—H3S1109.3
C16—C15—H15A119.3O3S—C3S—H3S2109.3
O2—C16—C15119.0 (6)H3S1—C3S—H3S2109.5
O2—C16—C11124.1 (6)O3S—C3S—H3S3109.9
C15—C16—C11116.9 (6)H3S1—C3S—H3S3109.5
O3—C17—C18119.5 (6)H3S2—C3S—H3S3109.5
O3—C17—C22123.9 (6)
O6—K1—Ni1—N2129.7 (2)K1—Ni3—O6—C48136.0 (5)
O4—K1—Ni1—N247.5 (2)N6—Ni3—O6—K1133.54 (19)
O5—K1—Ni1—N2141.6 (2)O5—Ni3—O6—K141.64 (17)
O2—K1—Ni1—N264.4 (2)O4—K1—O6—C4828.7 (4)
O3—K1—Ni1—N21.9 (2)O5—K1—O6—C48174.5 (5)
O1—K1—Ni1—N2176.8 (2)O2—K1—O6—C4890.7 (7)
Ni3—K1—Ni1—N2168.5 (2)O3—K1—O6—C4883.9 (4)
C48—K1—Ni1—N2110.0 (2)O1—K1—O6—C4882.2 (4)
Ni2—K1—Ni1—N236.0 (2)Ni3—K1—O6—C48141.1 (5)
O6—K1—Ni1—N112.5 (3)Ni1—K1—O6—C4857.4 (5)
O4—K1—Ni1—N169.7 (2)Ni2—K1—O6—C4856.1 (4)
O5—K1—Ni1—N1101.2 (3)O4—K1—O6—Ni3112.38 (18)
O2—K1—Ni1—N1178.4 (3)O5—K1—O6—Ni333.48 (15)
O3—K1—Ni1—N1115.3 (2)O2—K1—O6—Ni3128.3 (5)
O1—K1—Ni1—N159.6 (3)O3—K1—O6—Ni357.20 (17)
Ni3—K1—Ni1—N151.3 (3)O1—K1—O6—Ni3136.75 (16)
C48—K1—Ni1—N17.1 (3)Ni1—K1—O6—Ni3161.57 (9)
Ni2—K1—Ni1—N181.1 (2)C48—K1—O6—Ni3141.1 (5)
O6—K1—Ni1—O147.1 (2)Ni2—K1—O6—Ni384.91 (15)
O4—K1—Ni1—O1129.29 (18)N1—Ni1—N2—C10174.4 (6)
O5—K1—Ni1—O141.6 (2)O2—Ni1—N2—C104.9 (5)
O2—K1—Ni1—O1118.8 (2)K1—Ni1—N2—C1049.8 (6)
O3—K1—Ni1—O1174.9 (2)N1—Ni1—N2—C98.7 (4)
Ni3—K1—Ni1—O18.3 (2)O2—Ni1—N2—C9172.0 (4)
C48—K1—Ni1—O166.7 (2)K1—Ni1—N2—C9127.2 (4)
Ni2—K1—Ni1—O1140.75 (16)N2—Ni1—N1—C7168.4 (5)
O6—K1—Ni1—O2165.9 (2)O1—Ni1—N1—C77.5 (5)
O4—K1—Ni1—O2111.93 (19)K1—Ni1—N1—C735.4 (6)
O5—K1—Ni1—O277.2 (2)N2—Ni1—N1—C815.0 (4)
O3—K1—Ni1—O266.3 (2)O1—Ni1—N1—C8169.1 (4)
O1—K1—Ni1—O2118.8 (2)K1—Ni1—N1—C8148.0 (3)
Ni3—K1—Ni1—O2127.1 (2)N4—Ni2—N3—C23171.1 (5)
C48—K1—Ni1—O2174.5 (2)O3—Ni2—N3—C236.0 (5)
Ni2—K1—Ni1—O2100.47 (17)K1—Ni2—N3—C2319.4 (6)
O6—K1—Ni2—N466.9 (2)N4—Ni2—N3—C2413.7 (4)
O4—K1—Ni2—N443.3 (3)O3—Ni2—N3—C24169.1 (4)
O5—K1—Ni2—N4114.2 (2)K1—Ni2—N3—C24165.5 (3)
O2—K1—Ni2—N4104.5 (2)N3—Ni2—N4—C26173.3 (6)
O3—K1—Ni2—N4176.7 (3)O4—Ni2—N4—C263.9 (6)
O1—K1—Ni2—N435.0 (3)K1—Ni2—N4—C2633.3 (6)
Ni3—K1—Ni2—N4100.7 (2)N3—Ni2—N4—C2510.5 (4)
Ni1—K1—Ni2—N467.3 (2)O4—Ni2—N4—C25172.2 (4)
C48—K1—Ni2—N448.9 (2)K1—Ni2—N4—C25142.8 (4)
O6—K1—Ni2—N373.7 (2)N6—Ni3—N5—C39171.5 (6)
O4—K1—Ni2—N3176.1 (3)O5—Ni3—N5—C393.7 (6)
O5—K1—Ni2—N326.4 (2)K1—Ni3—N5—C3935.6 (6)
O2—K1—Ni2—N3114.9 (2)N6—Ni3—N5—C4013.2 (5)
O3—K1—Ni2—N336.1 (3)O5—Ni3—N5—C40171.6 (5)
O1—K1—Ni2—N3175.6 (3)K1—Ni3—N5—C40149.1 (4)
Ni3—K1—Ni2—N339.9 (2)N5—Ni3—N6—C42176.3 (6)
Ni1—K1—Ni2—N3152.1 (2)O6—Ni3—N6—C420.8 (6)
C48—K1—Ni2—N391.7 (3)K1—Ni3—N6—C4243.3 (6)
O6—K1—Ni2—O4110.2 (2)N5—Ni3—N6—C416.7 (5)
O5—K1—Ni2—O4157.5 (2)O6—Ni3—N6—C41176.3 (4)
O2—K1—Ni2—O461.2 (2)K1—Ni3—N6—C41133.7 (4)
O3—K1—Ni2—O4140.0 (3)Ni1—O1—C1—C61.9 (8)
O1—K1—Ni2—O48.2 (2)K1—O1—C1—C6122.6 (5)
Ni3—K1—Ni2—O4143.96 (18)Ni1—O1—C1—C2176.7 (4)
Ni1—K1—Ni2—O424.02 (18)K1—O1—C1—C258.8 (7)
C48—K1—Ni2—O492.1 (2)O1—C1—C2—C3179.1 (6)
O6—K1—Ni2—O3109.8 (2)C6—C1—C2—C32.2 (9)
O4—K1—Ni2—O3140.0 (3)C1—C2—C3—C40.3 (10)
O5—K1—Ni2—O362.5 (2)C2—C3—C4—C52.1 (10)
O2—K1—Ni2—O378.8 (2)C3—C4—C5—C61.2 (10)
O1—K1—Ni2—O3148.2 (2)O1—C1—C6—C5178.4 (6)
Ni3—K1—Ni2—O376.06 (18)C2—C1—C6—C53.0 (9)
Ni1—K1—Ni2—O3115.95 (18)O1—C1—C6—C77.0 (9)
C48—K1—Ni2—O3127.9 (2)C2—C1—C6—C7171.6 (6)
O6—K1—Ni3—N5176.1 (3)C4—C5—C6—C11.3 (10)
O4—K1—Ni3—N5116.8 (2)C4—C5—C6—C7173.5 (6)
O5—K1—Ni3—N554.4 (3)C8—N1—C7—C6171.6 (6)
O2—K1—Ni3—N521.6 (3)Ni1—N1—C7—C64.7 (9)
O3—K1—Ni3—N568.9 (2)C1—C6—C7—N13.7 (10)
O1—K1—Ni3—N5116.6 (3)C5—C6—C7—N1178.2 (6)
Ni1—K1—Ni3—N5122.6 (3)C7—N1—C8—C9149.0 (6)
C48—K1—Ni3—N5167.9 (3)Ni1—N1—C8—C934.1 (6)
Ni2—K1—Ni3—N5100.0 (2)C10—N2—C9—C8153.5 (6)
O6—K1—Ni3—N662.1 (3)Ni1—N2—C9—C829.3 (6)
O4—K1—Ni3—N65.0 (2)N1—C8—C9—N238.5 (6)
O5—K1—Ni3—N6176.1 (3)C9—N2—C10—C11177.6 (5)
O2—K1—Ni3—N6143.3 (3)Ni1—N2—C10—C110.7 (9)
O3—K1—Ni3—N652.9 (2)N2—C10—C11—C12176.2 (6)
O1—K1—Ni3—N6121.6 (2)N2—C10—C11—C163.3 (10)
Ni1—K1—Ni3—N6115.6 (3)C16—C11—C12—C131.6 (10)
C48—K1—Ni3—N646.1 (3)C10—C11—C12—C13177.9 (6)
Ni2—K1—Ni3—N621.7 (2)C11—C12—C13—C140.4 (10)
O4—K1—Ni3—O667.1 (2)C12—C13—C14—C150.2 (11)
O5—K1—Ni3—O6121.7 (2)C13—C14—C15—C160.3 (10)
O2—K1—Ni3—O6154.5 (3)Ni1—O2—C16—C15169.2 (4)
O3—K1—Ni3—O6115.0 (2)K1—O2—C16—C1557.3 (7)
O1—K1—Ni3—O659.5 (2)Ni1—O2—C16—C1111.1 (8)
Ni1—K1—Ni3—O653.5 (2)K1—O2—C16—C11122.4 (5)
C48—K1—Ni3—O616.0 (2)C14—C15—C16—O2178.3 (6)
Ni2—K1—Ni3—O683.88 (18)C14—C15—C16—C111.4 (9)
O6—K1—Ni3—O5121.7 (2)C12—C11—C16—O2177.7 (6)
O4—K1—Ni3—O5171.1 (2)C10—C11—C16—O22.8 (9)
O2—K1—Ni3—O532.8 (3)C12—C11—C16—C152.0 (9)
O3—K1—Ni3—O5123.25 (19)C10—C11—C16—C15177.5 (5)
O1—K1—Ni3—O562.2 (2)Ni2—O3—C17—C18178.4 (4)
Ni1—K1—Ni3—O568.2 (2)K1—O3—C17—C1834.7 (7)
C48—K1—Ni3—O5137.8 (2)Ni2—O3—C17—C221.0 (9)
Ni2—K1—Ni3—O5154.39 (17)K1—O3—C17—C22146.0 (5)
N1—Ni1—O1—C14.2 (5)O3—C17—C18—C19177.8 (6)
O2—Ni1—O1—C1176.6 (5)C22—C17—C18—C192.8 (9)
K1—Ni1—O1—C1133.3 (5)C17—C18—C19—C200.7 (10)
N1—Ni1—O1—K1137.50 (18)C18—C19—C20—C211.3 (11)
O2—Ni1—O1—K143.28 (15)C19—C20—C21—C221.1 (11)
O6—K1—O1—C18.7 (5)C20—C21—C22—C171.0 (11)
O4—K1—O1—C182.4 (4)C20—C21—C22—C23175.6 (7)
O5—K1—O1—C168.9 (4)O3—C17—C22—C21177.7 (6)
O2—K1—O1—C1173.8 (5)C18—C17—C22—C212.9 (10)
O3—K1—O1—C1127.0 (5)O3—C17—C22—C235.8 (10)
Ni3—K1—O1—C138.1 (5)C18—C17—C22—C23173.6 (6)
Ni1—K1—O1—C1138.9 (5)C24—N3—C23—C22171.7 (6)
C48—K1—O1—C111.3 (4)Ni2—N3—C23—C223.2 (9)
Ni2—K1—O1—C178.0 (4)C21—C22—C23—N3179.7 (6)
O6—K1—O1—Ni1147.55 (15)C17—C22—C23—N33.7 (10)
O4—K1—O1—Ni156.50 (18)C23—N3—C24—C25150.8 (6)
O5—K1—O1—Ni1152.22 (15)Ni2—N3—C24—C2533.6 (6)
O2—K1—O1—Ni134.91 (14)C26—N4—C25—C24152.7 (6)
O3—K1—O1—Ni111.9 (5)Ni2—N4—C25—C2430.8 (6)
Ni3—K1—O1—Ni1176.99 (8)N3—C24—C25—N439.0 (7)
C48—K1—O1—Ni1127.57 (17)C25—N4—C26—C27176.0 (6)
Ni2—K1—O1—Ni160.8 (2)Ni2—N4—C26—C270.0 (9)
N2—Ni1—O2—C1610.7 (5)N4—C26—C27—C28176.4 (6)
O1—Ni1—O2—C16173.3 (5)N4—C26—C27—C322.3 (10)
K1—Ni1—O2—C16142.8 (5)C32—C27—C28—C290.6 (10)
N2—Ni1—O2—K1132.06 (18)C26—C27—C28—C29179.4 (6)
O1—Ni1—O2—K143.85 (16)C27—C28—C29—C300.6 (11)
O6—K1—O2—C16171.1 (6)C28—C29—C30—C310.8 (11)
O4—K1—O2—C1671.7 (4)C29—C30—C31—C321.0 (12)
O5—K1—O2—C1685.9 (5)Ni2—O4—C32—C277.0 (9)
O3—K1—O2—C1614.7 (5)K1—O4—C32—C27145.4 (5)
O1—K1—O2—C16179.2 (5)Ni2—O4—C32—C31173.9 (5)
Ni3—K1—O2—C1665.3 (5)K1—O4—C32—C3133.7 (8)
Ni1—K1—O2—C16144.2 (5)C28—C27—C32—O4179.9 (6)
C48—K1—O2—C16132.7 (5)C26—C27—C32—O41.4 (10)
Ni2—K1—O2—C1645.6 (5)C28—C27—C32—C310.8 (9)
O6—K1—O2—Ni144.6 (6)C26—C27—C32—C31179.5 (6)
O4—K1—O2—Ni172.52 (17)C30—C31—C32—O4179.9 (6)
O5—K1—O2—Ni1129.85 (16)C30—C31—C32—C271.0 (10)
O3—K1—O2—Ni1129.59 (15)Ni3—O5—C33—C389.1 (9)
O1—K1—O2—Ni134.93 (14)K1—O5—C33—C38134.2 (6)
Ni3—K1—O2—Ni1150.41 (14)Ni3—O5—C33—C34171.0 (5)
C48—K1—O2—Ni111.6 (4)K1—O5—C33—C3445.8 (7)
Ni2—K1—O2—Ni198.60 (14)O5—C33—C34—C35178.3 (7)
N3—Ni2—O3—C174.0 (5)C38—C33—C34—C351.7 (11)
O4—Ni2—O3—C17178.8 (5)C33—C34—C35—C361.9 (13)
K1—Ni2—O3—C17151.4 (6)C34—C35—C36—C371.3 (14)
N3—Ni2—O3—K1155.39 (19)C35—C36—C37—C380.5 (13)
O4—Ni2—O3—K127.43 (17)O5—C33—C38—C37179.1 (6)
O6—K1—O3—C1790.0 (4)C34—C33—C38—C370.9 (10)
O4—K1—O3—C17176.3 (5)O5—C33—C38—C392.8 (10)
O5—K1—O3—C1734.6 (4)C34—C33—C38—C39177.2 (6)
O2—K1—O3—C1791.4 (4)C36—C37—C38—C330.3 (11)
O1—K1—O3—C17130.7 (5)C36—C37—C38—C39176.7 (7)
Ni3—K1—O3—C1761.1 (4)C40—N5—C39—C38175.8 (6)
Ni1—K1—O3—C17122.7 (4)Ni3—N5—C39—C380.6 (10)
C48—K1—O3—C17109.2 (4)C33—C38—C39—N52.3 (10)
Ni2—K1—O3—C17153.7 (5)C37—C38—C39—N5174.0 (6)
O6—K1—O3—Ni263.72 (18)C39—N5—C40—C41154.8 (6)
O4—K1—O3—Ni222.60 (15)Ni3—N5—C40—C4129.4 (7)
O5—K1—O3—Ni2119.10 (18)C42—N6—C41—C40158.5 (6)
O2—K1—O3—Ni2114.90 (17)Ni3—N6—C41—C4024.2 (7)
O1—K1—O3—Ni275.6 (4)N5—C40—C41—N632.7 (8)
Ni3—K1—O3—Ni292.58 (16)C41—N6—C42—C43177.8 (6)
Ni1—K1—O3—Ni283.54 (18)Ni3—N6—C42—C430.9 (10)
C48—K1—O3—Ni244.48 (18)N6—C42—C43—C44178.7 (6)
N4—Ni2—O4—C327.3 (5)N6—C42—C43—C481.3 (10)
O3—Ni2—O4—C32175.6 (5)C48—C43—C44—C450.6 (10)
K1—Ni2—O4—C32156.5 (6)C42—C43—C44—C45179.4 (6)
N4—Ni2—O4—K1149.21 (19)C43—C44—C45—C460.7 (10)
O3—Ni2—O4—K127.95 (18)C44—C45—C46—C470.6 (11)
O6—K1—O4—C3293.9 (4)C45—C46—C47—C480.9 (11)
O5—K1—O4—C32129.2 (4)Ni3—O6—C48—C432.7 (9)
O2—K1—O4—C3273.8 (4)K1—O6—C48—C43125.8 (6)
O3—K1—O4—C32179.9 (5)Ni3—O6—C48—C47175.8 (4)
O1—K1—O4—C3217.1 (5)K1—O6—C48—C4755.6 (7)
Ni3—K1—O4—C32123.3 (4)Ni3—O6—C48—K1128.6 (6)
Ni1—K1—O4—C3243.4 (4)C44—C43—C48—O6179.5 (6)
C48—K1—O4—C3284.1 (5)C42—C43—C48—O60.6 (10)
Ni2—K1—O4—C32157.4 (5)C44—C43—C48—C472.0 (9)
O6—K1—O4—Ni263.42 (17)C42—C43—C48—C47178.0 (6)
O5—K1—O4—Ni228.1 (3)C44—C43—C48—K1123.9 (7)
O2—K1—O4—Ni2128.82 (17)C42—C43—C48—K156.1 (9)
O3—K1—O4—Ni222.73 (15)C46—C47—C48—O6179.2 (6)
O1—K1—O4—Ni2174.42 (16)C46—C47—C48—C432.1 (10)
Ni3—K1—O4—Ni234.03 (17)C46—C47—C48—K1145.4 (6)
Ni1—K1—O4—Ni2159.27 (15)O4—K1—C48—O6148.6 (5)
C48—K1—O4—Ni273.30 (19)O5—K1—C48—O64.7 (4)
N5—Ni3—O5—C338.4 (5)O2—K1—C48—O6143.2 (4)
O6—Ni3—O5—C33174.7 (5)O3—K1—C48—O693.4 (4)
K1—Ni3—O5—C33134.0 (5)O1—K1—C48—O6104.8 (4)
N5—Ni3—O5—K1142.38 (19)Ni3—K1—C48—O626.5 (4)
O6—Ni3—O5—K140.69 (17)Ni1—K1—C48—O6135.7 (4)
O6—K1—O5—C33171.6 (5)Ni2—K1—C48—O6116.5 (5)
O4—K1—O5—C33127.3 (4)O6—K1—C48—C4393.2 (8)
O2—K1—O5—C3325.1 (5)O4—K1—C48—C4355.5 (7)
O3—K1—O5—C3388.0 (4)O5—K1—C48—C4388.5 (7)
O1—K1—O5—C3386.6 (4)O2—K1—C48—C43123.6 (7)
Ni3—K1—O5—C33138.4 (5)O3—K1—C48—C430.2 (7)
Ni1—K1—O5—C3364.1 (5)O1—K1—C48—C43162.0 (7)
C48—K1—O5—C33169.7 (4)Ni3—K1—C48—C4366.7 (7)
Ni2—K1—O5—C33113.8 (4)Ni1—K1—C48—C43131.1 (7)
O6—K1—O5—Ni333.17 (15)Ni2—K1—C48—C4323.3 (7)
O4—K1—O5—Ni311.1 (2)O6—K1—C48—C47133.2 (7)
O2—K1—O5—Ni3163.48 (14)O4—K1—C48—C4778.2 (4)
O3—K1—O5—Ni350.45 (16)O5—K1—C48—C47137.8 (4)
O1—K1—O5—Ni3134.95 (15)O2—K1—C48—C4710.0 (6)
Ni1—K1—O5—Ni3157.46 (9)O3—K1—C48—C47133.4 (4)
C48—K1—O5—Ni331.31 (17)O1—K1—C48—C4728.4 (4)
Ni2—K1—O5—Ni324.61 (16)Ni3—K1—C48—C47159.7 (5)
N6—Ni3—O6—C482.5 (5)Ni1—K1—C48—C472.5 (4)
O5—Ni3—O6—C48177.7 (5)Ni2—K1—C48—C47110.4 (4)
Symmetry code: (i) x, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W···O2S0.841.932.770 (11)180
O1W—H2W···O3S0.841.732.571 (12)179
O1S—H1S···N7ii0.842.002.838 (10)179
O2S—H2S···N8iii0.842.022.861 (11)180
O3S—H3S···O1S0.842.052.895 (12)179
Symmetry codes: (ii) x+1/2, y, z1/2; (iii) x, y+1/2, z+1/2.
 

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