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The complex cation of the title compound, [Co2(C2H3O2)3(OH)2(C10H9N3)2](C2H3O2)·4H2O, has a [Co2(μ-OH)2(μ-OAc)(OAc)2(bpa)2]+ dimeric core [bpa is bis(2-pyridyl)amine and OAc is acetate], in which two CoIII centers are linked by two OH and one OAc bridges with a Co...Co separation of 2.8276 (10) Å. Each CoIII ion has an approximate octahedral geometry, coordinated by two pyridyl N atoms of the terminal bpa ligand, and four O-atom donors derived from two OH bridges, one OAc bridge and a monodentate coordinated OAc anion. Intramolecular and intermolecular hydrogen-bonding interactions stabilize this structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680401133X/su6101sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680401133X/su6101Isup2.hkl
Contains datablock I

CCDC reference: 223523

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.008 Å
  • H-atom completeness 81%
  • R factor = 0.048
  • wR factor = 0.142
  • Data-to-parameter ratio = 14.5

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O11 PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O12 PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O13 PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O14
Alert level B PLAT430_ALERT_2_B Short Inter D...A Contact O6 .. O13 .. 2.81 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O9 .. O13 .. 2.71 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O10 .. O12 .. 2.67 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O11 .. O12 .. 2.64 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O11 .. O14 .. 2.78 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O13 .. O14 .. 2.59 Ang.
Alert level C CHEMW03_ALERT_2_C The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.99 <> 1.01 From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_weight 802.52 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 28.00 336.31 H 1.01 32.00 32.26 N 14.01 6.00 84.04 O 16.00 14.00 223.99 Co 58.93 2.00 117.87 Calculated formula weight 794.46 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT043_ALERT_1_C Check Reported Molecular Weight ................ 802.52 PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C23 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C25 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... C27 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 8 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C28 PLAT430_ALERT_2_C Short Inter D...A Contact O8 .. O12 .. 2.85 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 62.00 A   3 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C2 H3 O2 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3 O PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 4 O
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C28 H40 Co2 N6 O14 Atom count from the _atom_site data: C28 H32 Co2 N6 O14 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum C28 H40 Co2 N6 O14 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 56.00 56.00 0.00 H 80.00 64.00 16.00 Co 4.00 4.00 0.00 N 12.00 12.00 0.00 O 28.00 28.00 0.00
4 ALERT level A = In general: serious problem 6 ALERT level B = Potentially serious problem 15 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 16 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXL97.

Di-µ-acetato-µ-hydroxo-bis{acetato[bis(2-pyridyl)amine]cobalt(II)} acetate tetrahydrate top
Crystal data top
[Co2(C2H3O2)3(OH)2(C10H9N3)2](C2H3O2)·4H2OZ = 2
Mr = 802.52F(000) = 832
Triclinic, P1Dx = 1.436 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.285 (3) ÅCell parameters from 957 reflections
b = 11.862 (3) Åθ = 1.6–22.4°
c = 16.449 (4) ŵ = 0.96 mm1
α = 80.970 (4)°T = 298 K
β = 71.818 (4)°Block, red
γ = 62.518 (4)°0.38 × 0.30 × 0.24 mm
V = 1855.7 (8) Å3
Data collection top
Bruker SMART 1000
diffractometer
6534 independent reflections
Radiation source: fine-focus sealed tube4413 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
ω scansθmax = 25.0°, θmin = 1.3°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1997)
h = 713
Tmin = 0.711, Tmax = 0.802k = 1314
7796 measured reflectionsl = 1719
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)] = 0.048Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.142H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.0765P)2]
where P = (Fo2 + 2Fc2)/3
6534 reflections(Δ/σ)max = 0.001
451 parametersΔρmax = 0.65 e Å3
2 restraintsΔρmin = 0.32 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
Co10.18256 (5)0.27512 (5)0.65589 (3)0.03275 (17)
Co20.12052 (5)0.21686 (5)0.83298 (3)0.03289 (17)
N10.1210 (3)0.4320 (3)0.5904 (2)0.0367 (8)
N20.2951 (4)0.3407 (4)0.4637 (2)0.0447 (9)
H2B0.35580.35430.42200.054*
N30.2618 (3)0.1754 (3)0.5535 (2)0.0365 (8)
N40.0054 (3)0.3187 (3)0.9318 (2)0.0364 (8)
N50.0972 (4)0.1614 (4)1.0273 (2)0.0465 (9)
H5A0.12760.15111.07110.056*
N60.1475 (3)0.0627 (3)0.8998 (2)0.0368 (8)
O10.0988 (3)0.3613 (2)0.76129 (15)0.0339 (6)
H10.13630.40560.76700.051*
O20.2330 (3)0.1305 (2)0.72888 (16)0.0351 (6)
H20.31610.10700.72940.053*
O30.0150 (3)0.2630 (3)0.66836 (17)0.0380 (7)
O40.0345 (3)0.2148 (3)0.81002 (17)0.0397 (7)
O50.3569 (3)0.2769 (3)0.63487 (17)0.0397 (7)
O60.2938 (4)0.4433 (3)0.7138 (2)0.0616 (9)
O70.2662 (3)0.2239 (3)0.86408 (17)0.0395 (7)
O80.4477 (3)0.0537 (3)0.7954 (2)0.0638 (10)
C10.0113 (4)0.5369 (4)0.6308 (3)0.0432 (11)
H1A0.04230.52700.68480.052*
C20.0233 (5)0.6559 (4)0.5956 (3)0.0501 (12)
H2A0.09780.72620.62520.060*
C30.0555 (5)0.6696 (5)0.5142 (3)0.0580 (13)
H3A0.03570.74990.48910.070*
C40.1613 (5)0.5655 (5)0.4716 (3)0.0529 (12)
H4A0.21330.57410.41680.063*
C50.1930 (4)0.4445 (4)0.5099 (3)0.0388 (10)
C60.3132 (4)0.2176 (4)0.4753 (3)0.0391 (10)
C70.3837 (5)0.1359 (5)0.4051 (3)0.0521 (12)
H7A0.42190.16430.35220.063*
C80.3960 (5)0.0155 (5)0.4145 (3)0.0597 (14)
H8A0.44260.03910.36830.072*
C90.3380 (5)0.0248 (5)0.4940 (3)0.0596 (13)
H9A0.34320.10620.50160.072*
C100.2739 (5)0.0564 (4)0.5603 (3)0.0476 (11)
H10A0.23610.02820.61340.057*
C110.1062 (4)0.4360 (4)0.9201 (3)0.0439 (11)
H11A0.11900.45900.86570.053*
C120.1891 (5)0.5213 (5)0.9842 (3)0.0552 (12)
H12A0.25720.60020.97370.066*
C130.1698 (5)0.4880 (5)1.0661 (3)0.0573 (13)
H13A0.22290.54521.11080.069*
C140.0713 (5)0.3698 (5)1.0793 (3)0.0513 (12)
H14A0.05670.34591.13330.062*
C150.0079 (4)0.2841 (4)1.0113 (3)0.0397 (10)
C160.1444 (4)0.0530 (4)0.9829 (3)0.0421 (10)
C170.1865 (5)0.0634 (5)1.0250 (3)0.0519 (12)
H17A0.18540.06791.08220.062*
C180.2295 (5)0.1714 (5)0.9831 (3)0.0583 (13)
H18A0.25970.25011.01070.070*
C190.2276 (5)0.1619 (5)0.8977 (3)0.0548 (13)
H19A0.25440.23380.86770.066*
C200.1860 (5)0.0457 (4)0.8598 (3)0.0449 (11)
H20A0.18350.03950.80330.054*
C210.0563 (4)0.2336 (4)0.7368 (3)0.0381 (10)
C220.1772 (5)0.2186 (5)0.7297 (3)0.0591 (14)
H22A0.18280.23490.67160.089*
H22B0.26120.27770.76670.089*
H22C0.16520.13350.74610.089*
C230.3800 (5)0.3605 (5)0.6608 (3)0.0451 (11)
C240.5242 (6)0.3509 (6)0.6207 (4)0.088 (2)
H24A0.53310.41560.64330.133*
H24B0.53970.36230.55980.133*
H24C0.59140.26880.63330.133*
C250.3933 (5)0.1425 (5)0.8457 (3)0.0461 (11)
C260.4803 (6)0.1585 (6)0.8926 (4)0.084 (2)
H26A0.57420.09410.87490.126*
H26B0.44320.15070.95310.126*
H26C0.47870.24090.87950.126*
C270.3827 (6)0.4160 (5)1.2359 (4)0.0703 (16)
C280.4501 (7)0.4698 (7)1.1559 (4)0.108 (3)
H28A0.52090.48461.16630.161*
H28B0.38130.54861.14020.161*
H28C0.49110.41061.11020.161*
O90.4255 (5)0.3996 (5)1.3002 (3)0.0906 (14)
O100.2883 (5)0.3914 (5)1.2337 (3)0.1084 (16)
O110.1136 (6)0.1061 (5)1.1973 (3)0.1103 (17)
O120.3096 (6)0.1719 (5)1.1931 (5)0.162 (3)
O130.3041 (6)0.6766 (5)0.7084 (4)0.135 (2)
O140.8948 (8)0.1347 (8)0.3422 (5)0.195 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0336 (3)0.0343 (3)0.0279 (3)0.0146 (3)0.0046 (2)0.0031 (2)
Co20.0342 (3)0.0334 (3)0.0279 (3)0.0141 (3)0.0042 (2)0.0032 (2)
N10.0377 (19)0.038 (2)0.0335 (19)0.0171 (17)0.0080 (16)0.0015 (16)
N20.048 (2)0.052 (2)0.0327 (19)0.027 (2)0.0009 (17)0.0006 (18)
N30.0367 (19)0.039 (2)0.0316 (18)0.0154 (17)0.0076 (15)0.0035 (16)
N40.0386 (19)0.040 (2)0.0289 (18)0.0174 (17)0.0048 (15)0.0037 (15)
N50.056 (2)0.053 (3)0.0296 (19)0.022 (2)0.0147 (17)0.0020 (17)
N60.0381 (19)0.037 (2)0.0339 (19)0.0176 (16)0.0057 (15)0.0027 (16)
O10.0389 (15)0.0316 (16)0.0293 (14)0.0160 (13)0.0051 (12)0.0025 (12)
O20.0358 (15)0.0323 (16)0.0329 (15)0.0112 (13)0.0089 (12)0.0020 (12)
O30.0350 (15)0.0441 (18)0.0338 (16)0.0187 (14)0.0067 (13)0.0012 (13)
O40.0396 (16)0.0432 (18)0.0355 (16)0.0208 (14)0.0074 (13)0.0036 (13)
O50.0359 (16)0.0437 (18)0.0397 (16)0.0180 (14)0.0071 (13)0.0062 (14)
O60.067 (2)0.064 (2)0.063 (2)0.043 (2)0.0052 (18)0.0249 (19)
O70.0400 (16)0.0374 (17)0.0379 (16)0.0151 (14)0.0079 (13)0.0044 (13)
O80.0431 (19)0.066 (2)0.063 (2)0.0008 (17)0.0136 (17)0.0269 (19)
C10.037 (2)0.048 (3)0.039 (2)0.015 (2)0.007 (2)0.004 (2)
C20.050 (3)0.041 (3)0.053 (3)0.012 (2)0.020 (2)0.001 (2)
C30.072 (3)0.044 (3)0.057 (3)0.022 (3)0.025 (3)0.009 (3)
C40.062 (3)0.061 (3)0.035 (3)0.032 (3)0.009 (2)0.007 (2)
C50.042 (2)0.046 (3)0.034 (2)0.024 (2)0.012 (2)0.004 (2)
C60.032 (2)0.048 (3)0.036 (2)0.017 (2)0.0084 (19)0.004 (2)
C70.050 (3)0.064 (3)0.034 (2)0.020 (3)0.003 (2)0.008 (2)
C80.059 (3)0.058 (4)0.048 (3)0.013 (3)0.007 (2)0.020 (3)
C90.069 (3)0.044 (3)0.057 (3)0.018 (3)0.010 (3)0.015 (3)
C100.058 (3)0.045 (3)0.039 (3)0.023 (2)0.011 (2)0.002 (2)
C110.042 (2)0.039 (3)0.038 (2)0.013 (2)0.001 (2)0.006 (2)
C120.051 (3)0.043 (3)0.055 (3)0.013 (2)0.002 (2)0.010 (2)
C130.057 (3)0.056 (3)0.053 (3)0.024 (3)0.004 (2)0.025 (3)
C140.058 (3)0.064 (3)0.035 (2)0.032 (3)0.002 (2)0.013 (2)
C150.039 (2)0.046 (3)0.037 (2)0.022 (2)0.007 (2)0.003 (2)
C160.042 (2)0.048 (3)0.037 (2)0.022 (2)0.008 (2)0.002 (2)
C170.057 (3)0.055 (3)0.042 (3)0.024 (3)0.017 (2)0.012 (2)
C180.058 (3)0.042 (3)0.065 (3)0.020 (3)0.016 (3)0.015 (3)
C190.062 (3)0.042 (3)0.057 (3)0.025 (3)0.009 (3)0.002 (2)
C200.051 (3)0.042 (3)0.040 (2)0.022 (2)0.007 (2)0.001 (2)
C210.033 (2)0.037 (2)0.042 (3)0.0144 (19)0.010 (2)0.000 (2)
C220.052 (3)0.086 (4)0.054 (3)0.043 (3)0.019 (2)0.014 (3)
C230.044 (3)0.051 (3)0.047 (3)0.027 (2)0.011 (2)0.002 (2)
C240.053 (3)0.106 (5)0.118 (5)0.048 (4)0.004 (3)0.047 (4)
C250.039 (3)0.054 (3)0.040 (3)0.018 (2)0.007 (2)0.005 (2)
C260.052 (3)0.090 (5)0.115 (5)0.017 (3)0.036 (4)0.030 (4)
C270.060 (4)0.057 (4)0.068 (4)0.019 (3)0.009 (3)0.009 (3)
C280.103 (5)0.113 (6)0.061 (4)0.034 (5)0.004 (4)0.022 (4)
O90.106 (3)0.127 (4)0.054 (2)0.077 (3)0.003 (2)0.005 (3)
O100.072 (3)0.120 (4)0.123 (4)0.039 (3)0.019 (3)0.002 (3)
O110.178 (5)0.108 (4)0.071 (3)0.069 (4)0.067 (3)0.016 (3)
O120.117 (4)0.103 (4)0.274 (8)0.004 (3)0.112 (5)0.046 (5)
O130.133 (5)0.103 (4)0.182 (5)0.071 (4)0.012 (4)0.036 (4)
O140.183 (7)0.233 (8)0.189 (7)0.127 (7)0.034 (6)0.027 (6)
Geometric parameters (Å, º) top
Co1—O21.894 (3)C6—C71.404 (6)
Co1—O11.894 (3)C7—C81.358 (7)
Co1—O51.898 (3)C7—H7A0.9300
Co1—O31.907 (3)C8—C91.388 (7)
Co1—N31.934 (3)C8—H8A0.9300
Co1—N11.937 (3)C9—C101.354 (6)
Co1—Co22.8276 (10)C9—H9A0.9300
Co2—O11.883 (3)C10—H10A0.9300
Co2—O21.894 (3)C11—C121.362 (6)
Co2—O71.907 (3)C11—H11A0.9300
Co2—O41.913 (3)C12—C131.399 (7)
Co2—N61.925 (3)C12—H12A0.9300
Co2—N41.926 (3)C13—C141.365 (7)
N1—C51.348 (5)C13—H13A0.9300
N1—C11.359 (5)C14—C151.406 (6)
N2—C51.364 (5)C14—H14A0.9300
N2—C61.368 (5)C16—C171.383 (6)
N2—H2B0.8600C17—C181.358 (7)
N3—C101.345 (5)C17—H17A0.9300
N3—C61.358 (5)C18—C191.397 (7)
N4—C151.341 (5)C18—H18A0.9300
N4—C111.363 (5)C19—C201.351 (6)
N5—C161.374 (5)C19—H19A0.9300
N5—C151.377 (5)C20—H20A0.9300
N5—H5A0.8600C21—C221.497 (6)
N6—C161.346 (5)C22—H22A0.9600
N6—C201.359 (5)C22—H22B0.9600
O1—H10.8419C22—H22C0.9600
O2—H20.8482C23—C241.510 (6)
O3—C211.268 (5)C24—H24A0.9600
O4—C211.269 (5)C24—H24B0.9600
O5—C231.293 (5)C24—H24C0.9600
O6—C231.237 (5)C25—C261.512 (6)
O7—C251.274 (5)C26—H26A0.9600
O8—C251.238 (5)C26—H26B0.9600
C1—C21.363 (6)C26—H26C0.9600
C1—H1A0.9300C27—O101.240 (7)
C2—C31.390 (6)C27—O91.247 (7)
C2—H2A0.9300C27—C281.510 (8)
C3—C41.352 (7)C28—H28A0.9600
C3—H3A0.9300C28—H28B0.9600
C4—C51.402 (6)C28—H28C0.9600
C4—H4A0.9300
O2—Co1—O182.21 (11)N1—C5—C4120.0 (4)
O2—Co1—O591.74 (12)N2—C5—C4119.0 (4)
O1—Co1—O596.43 (11)N3—C6—N2120.3 (4)
O2—Co1—O388.09 (12)N3—C6—C7120.4 (4)
O1—Co1—O388.78 (11)N2—C6—C7119.3 (4)
O5—Co1—O3174.72 (12)C8—C7—C6120.0 (4)
O2—Co1—N393.70 (13)C8—C7—H7A120.0
O1—Co1—N3174.61 (12)C6—C7—H7A120.0
O5—Co1—N387.18 (13)C7—C8—C9119.1 (5)
O3—Co1—N387.56 (13)C7—C8—H8A120.5
O2—Co1—N1174.86 (12)C9—C8—H8A120.5
O1—Co1—N192.68 (13)C10—C9—C8118.8 (5)
O5—Co1—N189.44 (13)C10—C9—H9A120.6
O3—Co1—N191.19 (13)C8—C9—H9A120.6
N3—Co1—N191.35 (14)N3—C10—C9123.7 (4)
O2—Co1—Co241.71 (8)N3—C10—H10A118.2
O1—Co1—Co241.38 (8)C9—C10—H10A118.2
O5—Co1—Co2102.07 (9)C12—C11—N4123.3 (4)
O3—Co1—Co281.27 (8)C12—C11—H11A118.3
N3—Co1—Co2133.92 (10)N4—C11—H11A118.3
N1—Co1—Co2133.15 (10)C11—C12—C13118.7 (5)
O1—Co2—O282.50 (11)C11—C12—H12A120.6
O1—Co2—O791.51 (12)C13—C12—H12A120.6
O2—Co2—O796.08 (12)C14—C13—C12118.7 (5)
O1—Co2—O489.55 (12)C14—C13—H13A120.7
O2—Co2—O488.18 (12)C12—C13—H13A120.7
O7—Co2—O4175.71 (12)C13—C14—C15120.0 (4)
O1—Co2—N6176.31 (12)C13—C14—H14A120.0
O2—Co2—N693.92 (13)C15—C14—H14A120.0
O7—Co2—N689.77 (13)N4—C15—N5119.5 (4)
O4—Co2—N689.43 (13)N4—C15—C14121.2 (4)
O1—Co2—N492.29 (13)N5—C15—C14119.2 (4)
O2—Co2—N4173.92 (13)N6—C16—N5119.3 (4)
O7—Co2—N487.16 (13)N6—C16—C17121.5 (4)
O4—Co2—N488.65 (13)N5—C16—C17119.2 (4)
N6—Co2—N491.23 (14)C18—C17—C16120.2 (4)
O1—Co2—Co141.67 (8)C18—C17—H17A119.9
O2—Co2—Co141.71 (8)C16—C17—H17A119.9
O7—Co2—Co1101.72 (8)C17—C18—C19118.8 (5)
O4—Co2—Co181.81 (8)C17—C18—H18A120.6
N6—Co2—Co1134.65 (10)C19—C18—H18A120.6
N4—Co2—Co1132.58 (10)C20—C19—C18118.4 (5)
C5—N1—C1118.8 (4)C20—C19—H19A120.8
C5—N1—Co1122.2 (3)C18—C19—H19A120.8
C1—N1—Co1118.4 (3)C19—C20—N6123.7 (4)
C5—N2—C6128.2 (4)C19—C20—H20A118.2
C5—N2—H2B115.9N6—C20—H20A118.2
C6—N2—H2B115.9O3—C21—O4126.6 (4)
C10—N3—C6118.0 (4)O3—C21—C22116.2 (4)
C10—N3—Co1119.0 (3)O4—C21—C22117.2 (4)
C6—N3—Co1122.9 (3)C21—C22—H22A109.5
C15—N4—C11117.9 (4)C21—C22—H22B109.5
C15—N4—Co2123.0 (3)H22A—C22—H22B109.5
C11—N4—Co2118.9 (3)C21—C22—H22C109.5
C16—N5—C15128.8 (4)H22A—C22—H22C109.5
C16—N5—H5A115.6H22B—C22—H22C109.5
C15—N5—H5A115.6O6—C23—O5124.6 (4)
C16—N6—C20117.4 (4)O6—C23—C24120.8 (4)
C16—N6—Co2123.3 (3)O5—C23—C24114.6 (4)
C20—N6—Co2119.0 (3)C23—C24—H24A109.5
Co2—O1—Co196.94 (12)C23—C24—H24B109.5
Co2—O1—H1117.2H24A—C24—H24B109.5
Co1—O1—H1113.2C23—C24—H24C109.5
Co1—O2—Co296.58 (12)H24A—C24—H24C109.5
Co1—O2—H2108.3H24B—C24—H24C109.5
Co2—O2—H2105.6O8—C25—O7125.9 (4)
C21—O3—Co1125.6 (3)O8—C25—C26119.4 (4)
C21—O4—Co2124.7 (3)O7—C25—C26114.7 (4)
C23—O5—Co1126.8 (3)C25—C26—H26A109.5
C25—O7—Co2126.3 (3)C25—C26—H26B109.5
N1—C1—C2122.7 (4)H26A—C26—H26B109.5
N1—C1—H1A118.7C25—C26—H26C109.5
C2—C1—H1A118.7H26A—C26—H26C109.5
C1—C2—C3118.4 (4)H26B—C26—H26C109.5
C1—C2—H2A120.8O10—C27—O9124.3 (6)
C3—C2—H2A120.8O10—C27—C28118.0 (7)
C4—C3—C2119.6 (5)O9—C27—C28117.7 (6)
C4—C3—H3A120.2C27—C28—H28A109.5
C2—C3—H3A120.2C27—C28—H28B109.5
C3—C4—C5120.3 (4)H28A—C28—H28B109.5
C3—C4—H4A119.8C27—C28—H28C109.5
C5—C4—H4A119.8H28A—C28—H28C109.5
N1—C5—N2121.0 (4)H28B—C28—H28C109.5
O2—Co1—Co2—O1164.87 (17)O1—Co2—O2—Co110.08 (11)
O5—Co1—Co2—O186.01 (15)O7—Co2—O2—Co1100.81 (12)
O3—Co1—Co2—O198.15 (15)N6—Co2—O2—Co1169.00 (13)
N3—Co1—Co2—O1176.17 (18)O2—Co1—O3—C2138.9 (3)
N1—Co1—Co2—O114.76 (17)O1—Co1—O3—C2143.4 (3)
O1—Co1—Co2—O2164.87 (17)N3—Co1—O3—C21132.6 (3)
O5—Co1—Co2—O278.86 (15)N1—Co1—O3—C21136.1 (3)
O3—Co1—Co2—O296.98 (15)Co2—Co1—O3—C212.5 (3)
N3—Co1—Co2—O218.96 (18)O1—Co2—O4—C2142.5 (3)
N1—Co1—Co2—O2179.63 (18)O2—Co2—O4—C2140.0 (3)
O2—Co1—Co2—O785.97 (15)N6—Co2—O4—C21134.0 (3)
O1—Co1—Co2—O778.90 (15)N4—Co2—O4—C21134.8 (3)
O5—Co1—Co2—O77.11 (12)Co1—Co2—O4—C211.4 (3)
O3—Co1—Co2—O7177.05 (12)O2—Co1—O5—C23110.8 (3)
N3—Co1—Co2—O7104.93 (16)O1—Co1—O5—C2328.4 (3)
N1—Co1—Co2—O793.66 (16)N3—Co1—O5—C23155.6 (4)
O2—Co1—Co2—O496.51 (15)N1—Co1—O5—C2364.2 (3)
O1—Co1—Co2—O498.61 (15)Co2—Co1—O5—C2370.0 (3)
O5—Co1—Co2—O4175.38 (12)O1—Co2—O7—C25113.7 (3)
O3—Co1—Co2—O40.47 (12)O2—Co2—O7—C2531.0 (4)
N3—Co1—Co2—O477.55 (16)N6—Co2—O7—C2562.9 (4)
N1—Co1—Co2—O483.86 (16)N4—Co2—O7—C25154.1 (4)
O2—Co1—Co2—N615.51 (18)Co1—Co2—O7—C2572.9 (3)
O1—Co1—Co2—N6179.61 (18)C5—N1—C1—C24.6 (6)
O5—Co1—Co2—N694.38 (17)Co1—N1—C1—C2167.3 (3)
O3—Co1—Co2—N681.47 (16)N1—C1—C2—C31.3 (7)
N3—Co1—Co2—N63.4 (2)C1—C2—C3—C41.5 (7)
N1—Co1—Co2—N6164.85 (18)C2—C3—C4—C51.1 (7)
O2—Co1—Co2—N4177.03 (18)C1—N1—C5—N2173.6 (4)
O1—Co1—Co2—N418.09 (18)Co1—N1—C5—N214.9 (5)
O5—Co1—Co2—N4104.10 (16)C1—N1—C5—C45.0 (6)
O3—Co1—Co2—N480.05 (16)Co1—N1—C5—C4166.6 (3)
N3—Co1—Co2—N4158.07 (18)C6—N2—C5—N121.8 (6)
N1—Co1—Co2—N43.34 (19)C6—N2—C5—C4156.8 (4)
O1—Co1—N1—C5150.2 (3)C3—C4—C5—N12.2 (7)
O5—Co1—N1—C553.8 (3)C3—C4—C5—N2176.3 (4)
O3—Co1—N1—C5120.9 (3)C10—N3—C6—N2175.4 (4)
N3—Co1—N1—C533.3 (3)Co1—N3—C6—N28.3 (5)
Co2—Co1—N1—C5159.9 (3)C10—N3—C6—C73.6 (6)
O1—Co1—N1—C121.4 (3)Co1—N3—C6—C7172.7 (3)
O5—Co1—N1—C1117.8 (3)C5—N2—C6—N325.4 (6)
O3—Co1—N1—C167.5 (3)C5—N2—C6—C7153.6 (4)
N3—Co1—N1—C1155.1 (3)N3—C6—C7—C82.6 (7)
Co2—Co1—N1—C111.6 (4)N2—C6—C7—C8176.4 (4)
O5—Co1—N3—C10117.0 (3)C6—C7—C8—C90.1 (7)
O3—Co1—N3—C1062.5 (3)C7—C8—C9—C101.6 (8)
N1—Co1—N3—C10153.7 (3)C6—N3—C10—C92.1 (7)
Co2—Co1—N3—C1012.9 (4)Co1—N3—C10—C9174.4 (4)
O5—Co1—N3—C659.3 (3)C8—C9—C10—N30.5 (8)
O3—Co1—N3—C6121.2 (3)C15—N4—C11—C123.1 (6)
N1—Co1—N3—C630.1 (3)Co2—N4—C11—C12171.7 (3)
Co2—Co1—N3—C6163.4 (2)N4—C11—C12—C130.6 (7)
O1—Co2—N4—C15147.8 (3)C11—C12—C13—C142.0 (7)
O7—Co2—N4—C1556.4 (3)C12—C13—C14—C150.2 (7)
O4—Co2—N4—C15122.7 (3)C11—N4—C15—N5172.5 (4)
N6—Co2—N4—C1533.3 (3)Co2—N4—C15—N512.9 (5)
Co1—Co2—N4—C15159.7 (3)C11—N4—C15—C145.3 (6)
O1—Co2—N4—C1126.7 (3)Co2—N4—C15—C14169.2 (3)
O7—Co2—N4—C11118.1 (3)C16—N5—C15—N424.0 (6)
O4—Co2—N4—C1162.8 (3)C16—N5—C15—C14153.9 (4)
N6—Co2—N4—C11152.2 (3)C13—C14—C15—N44.0 (7)
Co1—Co2—N4—C1114.8 (4)C13—C14—C15—N5173.8 (4)
O2—Co2—N6—C16150.7 (3)C20—N6—C16—N5175.7 (4)
O7—Co2—N6—C1654.6 (3)Co2—N6—C16—N511.3 (5)
O4—Co2—N6—C16121.2 (3)C20—N6—C16—C173.8 (6)
N4—Co2—N6—C1632.6 (3)Co2—N6—C16—C17169.2 (3)
Co1—Co2—N6—C16161.0 (3)C15—N5—C16—N624.9 (7)
O2—Co2—N6—C2022.2 (3)C15—N5—C16—C17154.6 (4)
O7—Co2—N6—C20118.3 (3)N6—C16—C17—C181.5 (7)
O4—Co2—N6—C2065.9 (3)N5—C16—C17—C18178.0 (4)
N4—Co2—N6—C20154.6 (3)C16—C17—C18—C191.3 (7)
Co1—Co2—N6—C2011.9 (4)C17—C18—C19—C201.5 (7)
O2—Co2—O1—Co110.09 (11)C18—C19—C20—N61.0 (7)
O7—Co2—O1—Co1106.02 (12)C16—N6—C20—C193.6 (6)
O4—Co2—O1—Co178.14 (12)Co2—N6—C20—C19169.7 (4)
N4—Co2—O1—Co1166.77 (13)Co1—O3—C21—O44.7 (6)
O2—Co1—O1—Co210.09 (11)Co1—O3—C21—C22174.7 (3)
O5—Co1—O1—Co2100.98 (12)Co2—O4—C21—O33.9 (6)
O3—Co1—O1—Co278.14 (12)Co2—O4—C21—C22175.4 (3)
N1—Co1—O1—Co2169.28 (13)Co1—O5—C23—O610.7 (7)
O1—Co1—O2—Co210.03 (11)Co1—O5—C23—C24169.1 (4)
O5—Co1—O2—Co2106.28 (12)Co2—O7—C25—O810.0 (7)
O3—Co1—O2—Co279.00 (12)Co2—O7—C25—C26168.7 (3)
N3—Co1—O2—Co2166.43 (13)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2B···O9i0.862.002.789 (5)153
N5—H5A···O110.862.042.814 (6)150
O1—H1···O60.841.942.657 (6)142
O2—H2···O80.851.932.683 (6)148
Symmetry code: (i) x, y, z1.
 

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