Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
The title complex, [Co3(C2H3O2)2(C14H8O4)2(C5H6N2)4(H2O)2]·4C3H7NO, is a linear trinuclear cobalt complex crystallizing with the central Co atom on a centre of symmetry and with with four dimethyl­formamide solvent mol­ecules per complex. The crystal packing is stabilized by N—H...O and O—H...O hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680700983X/bt2269sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680700983X/bt2269Isup2.hkl
Contains datablock I

CCDC reference: 646746

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.063
  • wR factor = 0.158
  • Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C17 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N7 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N9 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 8 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C26 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 13 C25 -O5 -CO1 -O5 14.00 0.00 1.555 1.555 1.555 3.577 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 26 C14 -O4 -CO1 -O4 62.20 1.00 1.555 1.555 1.555 3.577 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 27 CO2 -O4 -CO1 -O4 -159.20 1.00 1.555 1.555 1.555 3.577 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 30 C25 -O6 -CO2 -O7 -132.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 35 C14 -O4 -CO2 -N1 103.50 1.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 36 CO1 -O4 -CO2 -N1 -32.40 1.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 45 O1 -CO1 -O1 -C1 10.00 0.00 3.577 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 50 O1 -CO1 -O1 -CO2 4.00 0.00 3.577 1.555 1.555 3.577 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 56 O1 -CO2 -N3 -C24 -64.30 1.10 3.577 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 61 O1 -CO2 -N3 -C20 117.30 0.90 3.577 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 67 O4 -CO2 -N1 -C15 -45.50 1.30 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 72 O4 -CO2 -N1 -C19 132.40 1.00 1.555 1.555 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.851(10) ...... 4.00 su-Ra O7 -H7A 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 109(4), Rep 109.2(18) ...... 2.22 su-Ra H7B -O7 -H7A 1.555 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C3 H7 N O PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3 C3 H7 N O
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 25 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 6 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 1 ALERT type 3 Indicator that the structure quality may be low 18 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT and SHELXTL (Bruker, 1997); program(s) used to solve structure: SHELXS86 (Sheldrick, 1985); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Di-µ2-acetato-tetrakis(4-aminopyridine)diaquabis(µ3-biphenyl-2,2'- dicarboxylato)tricobalt(II) N,N'-dimethylformamide tetrasolvate top
Crystal data top
[Co3(C2H3O2)2(C14H8O4)2(C5H6N2)4(H2O)2]·4C3H7NOF(000) = 1542
Mr = 1480.17Dx = 1.394 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 12.2379 (17) ÅCell parameters from 24864 reflections
b = 11.1660 (15) Åθ = 1.6–25°
c = 25.985 (4) ŵ = 0.77 mm1
β = 96.571 (2)°T = 293 K
V = 3527.5 (8) Å3Block, pink
Z = 20.11 × 0.10 × 0.10 mm
Data collection top
Bruker CCD
diffractometer
6218 independent reflections
Radiation source: fine-focus sealed tube3850 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.100
φ and ω scansθmax = 25.0°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS; Bruker, 1997)
h = 1414
Tmin = 0.920, Tmax = 0.927k = 1313
24864 measured reflectionsl = 3030
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)] = 0.063Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.158H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.0554P)2 + 1.7438P]
where P = (Fo2 + 2Fc2)/3
6218 reflections(Δ/σ)max = 0.001
452 parametersΔρmax = 0.40 e Å3
3 restraintsΔρmin = 0.41 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
O30.0987 (3)0.9826 (3)0.85572 (13)0.0595 (10)
C140.1213 (4)0.9965 (4)0.9031 (2)0.0456 (13)
O50.0011 (3)1.1648 (3)1.03089 (12)0.0441 (8)
O40.0650 (2)1.0647 (3)0.93058 (11)0.0386 (8)
C250.0283 (4)1.2630 (4)1.01076 (19)0.0408 (12)
O60.0597 (3)1.2810 (3)0.96409 (12)0.0501 (9)
O70.1049 (4)1.0516 (3)0.83508 (13)0.0491 (9)
C260.0178 (5)1.3718 (5)1.0453 (2)0.0647 (17)
H26A0.00691.34781.08020.097*
H26B0.08801.41061.04440.097*
H26C0.03451.42631.03330.097*
N70.7795 (6)1.1907 (5)0.7311 (2)0.0874 (17)
C270.6760 (8)1.2354 (9)0.7158 (4)0.152 (4)
H27A0.63311.26990.74540.229*
H27B0.69081.29530.68950.229*
H27C0.63591.17050.70260.229*
O80.6964 (5)1.1892 (5)0.8149 (2)0.1168 (19)
C290.7796 (7)1.1710 (7)0.7815 (3)0.095 (2)
H290.84381.14250.79310.114*
C280.8777 (7)1.1762 (8)0.6955 (4)0.125 (3)
H28A0.93841.15790.71450.187*
H28B0.86751.11210.67200.187*
H28C0.89271.24910.67640.187*
O90.6180 (4)1.6368 (4)0.8238 (2)0.1047 (18)
N90.5889 (5)1.8354 (6)0.8201 (3)0.097 (2)
C320.5288 (9)1.9341 (8)0.8428 (6)0.222 (7)
H32A0.47541.90630.87010.333*
H32B0.57821.98900.85670.333*
H32C0.49191.97400.81690.333*
C310.6804 (9)1.8518 (8)0.7821 (4)0.145 (4)
H31A0.69951.77670.76550.217*
H31B0.66191.90870.75680.217*
H31C0.74181.88110.79840.217*
C300.5692 (6)1.7278 (9)0.8381 (4)0.106 (3)
H300.51191.71970.86460.127*
H7B0.0377 (12)1.030 (4)0.840 (2)0.08 (2)*
H7A0.145 (3)0.997 (3)0.846 (2)0.08 (2)*
Co10.00001.00001.00000.0365 (3)
Co20.08412 (5)1.16622 (6)0.90246 (2)0.0395 (2)
O10.1487 (2)0.9760 (3)1.05239 (11)0.0390 (8)
N30.0006 (3)1.2900 (3)0.85925 (14)0.0424 (10)
N10.2393 (3)1.2447 (4)0.88040 (15)0.0474 (11)
O20.2302 (3)1.0907 (3)1.11647 (13)0.0569 (10)
C90.2153 (4)0.9280 (5)0.93075 (19)0.0450 (13)
C200.0337 (4)1.3179 (5)0.80958 (19)0.0488 (13)
H200.09621.28020.79340.059*
C240.0886 (4)1.3481 (5)0.88063 (19)0.0477 (13)
H240.11301.33200.91510.057*
C70.2849 (4)1.1063 (5)0.9847 (2)0.0449 (13)
C80.2855 (4)0.9770 (5)0.97102 (19)0.0465 (13)
C10.2088 (4)1.0666 (4)1.0698 (2)0.0434 (12)
C20.2548 (4)1.1467 (4)1.03178 (19)0.0443 (13)
C220.1123 (4)1.4567 (5)0.8039 (2)0.0485 (13)
C210.0194 (4)1.3988 (5)0.7812 (2)0.0529 (14)
H210.00721.41440.74690.064*
N40.1661 (4)1.5384 (4)0.77767 (17)0.0704 (15)
H4A0.14261.55530.74600.084*
H4B0.22391.57340.79260.084*
C30.2663 (5)1.2678 (5)1.0443 (2)0.0579 (15)
H30.24651.29541.07570.069*
C40.3077 (5)1.3481 (5)1.0099 (2)0.0693 (18)
H40.31611.42851.01880.083*
C60.3248 (4)1.1888 (5)0.9510 (2)0.0560 (15)
H60.34461.16240.91950.067*
C230.1463 (4)1.4294 (5)0.85537 (19)0.0510 (14)
H230.20811.46640.87250.061*
C130.3658 (5)0.9028 (6)0.9969 (2)0.0603 (15)
H130.41470.93481.02340.072*
C190.2592 (5)1.3602 (5)0.8871 (2)0.0678 (17)
H190.20071.40750.90110.081*
C50.3355 (5)1.3086 (6)0.9636 (2)0.0644 (17)
H50.36171.36220.94050.077*
C180.3586 (5)1.4153 (6)0.8749 (3)0.0747 (19)
H180.36581.49700.88070.090*
C170.4474 (5)1.3496 (6)0.8542 (3)0.0667 (17)
C100.2276 (5)0.8093 (5)0.9166 (2)0.0590 (15)
H100.18310.77800.88840.071*
N20.5489 (4)1.3966 (5)0.8409 (2)0.103 (2)
H2A0.60191.35130.82800.123*
H2B0.56021.47170.84540.123*
C110.3052 (5)0.7374 (6)0.9439 (3)0.0729 (18)
H110.31080.65720.93500.087*
C120.3744 (5)0.7839 (6)0.9844 (3)0.0757 (19)
H120.42660.73551.00310.091*
C150.3257 (5)1.1845 (5)0.8604 (3)0.078 (2)
H150.31621.10310.85470.093*
C160.4281 (5)1.2303 (6)0.8473 (3)0.089 (2)
H160.48511.18050.83360.106*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O30.061 (2)0.083 (3)0.034 (2)0.015 (2)0.0041 (18)0.0050 (19)
C140.051 (3)0.047 (3)0.039 (3)0.002 (3)0.005 (3)0.001 (3)
O50.060 (2)0.0350 (19)0.0370 (18)0.0008 (17)0.0039 (16)0.0006 (16)
O40.044 (2)0.043 (2)0.0293 (17)0.0023 (16)0.0045 (15)0.0017 (15)
C250.053 (3)0.033 (3)0.037 (3)0.004 (2)0.008 (2)0.001 (2)
O60.072 (3)0.043 (2)0.035 (2)0.0008 (18)0.0011 (18)0.0009 (16)
O70.057 (3)0.053 (2)0.036 (2)0.004 (2)0.0013 (19)0.0031 (17)
C260.098 (5)0.043 (3)0.051 (3)0.001 (3)0.000 (3)0.005 (3)
N70.105 (5)0.086 (4)0.074 (4)0.011 (4)0.022 (4)0.009 (3)
C270.142 (9)0.177 (10)0.151 (9)0.022 (7)0.072 (7)0.063 (8)
O80.113 (5)0.135 (5)0.100 (4)0.012 (4)0.002 (4)0.016 (4)
C290.105 (7)0.099 (6)0.084 (6)0.026 (5)0.020 (5)0.019 (5)
C280.116 (7)0.129 (8)0.131 (8)0.029 (6)0.020 (6)0.023 (6)
O90.083 (4)0.057 (3)0.168 (5)0.004 (3)0.010 (3)0.018 (3)
N90.081 (4)0.062 (4)0.150 (7)0.002 (4)0.022 (4)0.011 (4)
C320.140 (9)0.093 (7)0.44 (2)0.056 (7)0.062 (11)0.106 (11)
C310.179 (11)0.117 (8)0.136 (9)0.018 (7)0.010 (8)0.018 (6)
C300.072 (5)0.106 (7)0.141 (8)0.005 (5)0.023 (5)0.020 (7)
Co10.0463 (6)0.0351 (5)0.0279 (5)0.0007 (4)0.0032 (4)0.0002 (4)
Co20.0463 (4)0.0402 (4)0.0314 (4)0.0011 (3)0.0023 (3)0.0021 (3)
O10.0414 (19)0.042 (2)0.0337 (18)0.0036 (16)0.0028 (15)0.0022 (15)
N30.049 (3)0.043 (2)0.035 (2)0.003 (2)0.000 (2)0.0065 (19)
N10.047 (3)0.045 (3)0.049 (3)0.002 (2)0.000 (2)0.009 (2)
O20.078 (3)0.059 (2)0.032 (2)0.016 (2)0.0021 (18)0.0028 (18)
C90.042 (3)0.056 (4)0.038 (3)0.004 (3)0.012 (2)0.001 (3)
C200.050 (3)0.055 (3)0.038 (3)0.011 (3)0.008 (2)0.011 (3)
C240.052 (3)0.053 (3)0.036 (3)0.002 (3)0.004 (3)0.005 (3)
C70.034 (3)0.052 (3)0.047 (3)0.001 (2)0.005 (2)0.005 (3)
C80.041 (3)0.059 (4)0.041 (3)0.008 (3)0.014 (3)0.006 (3)
C10.040 (3)0.041 (3)0.049 (3)0.002 (2)0.005 (3)0.001 (3)
C20.043 (3)0.048 (3)0.040 (3)0.012 (2)0.002 (2)0.003 (2)
C220.054 (3)0.043 (3)0.047 (3)0.004 (3)0.000 (3)0.003 (3)
C210.058 (4)0.059 (4)0.040 (3)0.009 (3)0.002 (3)0.013 (3)
N40.084 (4)0.078 (3)0.046 (3)0.035 (3)0.008 (3)0.017 (3)
C30.065 (4)0.059 (4)0.048 (3)0.016 (3)0.004 (3)0.001 (3)
C40.076 (4)0.060 (4)0.069 (4)0.019 (3)0.005 (4)0.012 (3)
C60.054 (3)0.071 (4)0.044 (3)0.003 (3)0.008 (3)0.009 (3)
C230.054 (3)0.056 (3)0.040 (3)0.010 (3)0.004 (3)0.001 (3)
C130.050 (4)0.075 (4)0.055 (4)0.005 (3)0.003 (3)0.003 (3)
C190.068 (4)0.054 (4)0.078 (4)0.008 (3)0.006 (3)0.005 (3)
C50.061 (4)0.071 (5)0.058 (4)0.018 (3)0.008 (3)0.019 (3)
C180.072 (5)0.059 (4)0.090 (5)0.021 (4)0.005 (4)0.008 (4)
C170.049 (4)0.063 (4)0.086 (5)0.013 (3)0.001 (3)0.015 (4)
C100.063 (4)0.061 (4)0.054 (4)0.012 (3)0.013 (3)0.008 (3)
N20.066 (4)0.070 (4)0.165 (6)0.016 (3)0.018 (4)0.002 (4)
C110.071 (4)0.059 (4)0.087 (5)0.018 (4)0.003 (4)0.008 (4)
C120.064 (4)0.070 (4)0.092 (5)0.028 (4)0.000 (4)0.005 (4)
C150.052 (4)0.044 (4)0.131 (6)0.001 (3)0.019 (4)0.011 (4)
C160.059 (4)0.057 (4)0.142 (7)0.002 (3)0.024 (4)0.002 (4)
Geometric parameters (Å, º) top
O3—C141.239 (6)N3—C201.344 (6)
C14—O41.296 (5)N1—C151.309 (7)
C14—C91.496 (7)N1—C191.328 (7)
O5—C251.243 (5)O2—C11.240 (6)
O5—Co12.009 (3)C9—C81.388 (7)
O4—Co12.176 (3)C9—C101.389 (7)
O4—Co22.201 (3)C20—C211.375 (7)
C25—O61.246 (5)C20—H200.9300
C25—C261.507 (7)C24—C231.364 (7)
O6—Co22.046 (3)C24—H240.9300
O7—Co22.160 (4)C7—C21.393 (7)
O7—H7B0.851 (10)C7—C61.395 (7)
O7—H7A0.851 (10)C7—C81.487 (7)
C26—H26A0.9600C8—C131.397 (7)
C26—H26B0.9600C1—C21.490 (7)
C26—H26C0.9600C2—C31.395 (7)
N7—C291.329 (9)C22—N41.355 (6)
N7—C281.438 (9)C22—C211.381 (7)
N7—C271.458 (9)C22—C231.387 (7)
C27—H27A0.9600C21—H210.9300
C27—H27B0.9600N4—H4A0.8600
C27—H27C0.9600N4—H4B0.8600
O8—C291.275 (9)C3—C41.401 (7)
C29—H290.9300C3—H30.9300
C28—H28A0.9600C4—C51.360 (8)
C28—H28B0.9600C4—H40.9300
C28—H28C0.9600C6—C51.380 (7)
O9—C301.214 (9)C6—H60.9300
N9—C301.302 (10)C23—H230.9300
N9—C321.416 (10)C13—C121.373 (8)
N9—C311.418 (10)C13—H130.9300
C32—H32A0.9600C19—C181.368 (8)
C32—H32B0.9600C19—H190.9300
C32—H32C0.9600C5—H50.9300
C31—H31A0.9600C18—C171.370 (8)
C31—H31B0.9600C18—H180.9300
C31—H31C0.9600C17—N21.357 (7)
C30—H300.9300C17—C161.368 (8)
Co1—O5i2.009 (3)C10—C111.376 (7)
Co1—O1i2.161 (3)C10—H100.9300
Co1—O12.161 (3)N2—H2A0.8600
Co1—O4i2.176 (3)N2—H2B0.8600
Co2—N12.110 (4)C11—C121.375 (8)
Co2—N32.116 (4)C11—H110.9300
Co2—O1i2.176 (3)C12—H120.9300
O1—C11.302 (6)C15—C161.361 (8)
O1—Co2i2.176 (3)C15—H150.9300
N3—C241.335 (6)C16—H160.9300
O3—C14—O4123.3 (5)O1i—Co2—O477.48 (11)
O3—C14—C9119.0 (5)C1—O1—Co1121.6 (3)
O4—C14—C9117.6 (4)C1—O1—Co2i127.3 (3)
C25—O5—Co1130.8 (3)Co1—O1—Co2i95.67 (12)
C14—O4—Co1122.0 (3)C24—N3—C20115.4 (4)
C14—O4—Co2126.3 (3)C24—N3—Co2121.2 (3)
Co1—O4—Co294.51 (12)C20—N3—Co2123.4 (3)
O5—C25—O6126.2 (4)C15—N1—C19113.5 (5)
O5—C25—C26117.4 (4)C15—N1—Co2123.7 (4)
O6—C25—C26116.4 (4)C19—N1—Co2122.7 (4)
C25—O6—Co2131.4 (3)C8—C9—C10119.9 (5)
Co2—O7—H7B91 (4)C8—C9—C14122.5 (5)
Co2—O7—H7A100 (4)C10—C9—C14117.5 (5)
H7B—O7—H7A109.2 (18)N3—C20—C21124.0 (5)
C25—C26—H26A109.5N3—C20—H20118.0
C25—C26—H26B109.5C21—C20—H20118.0
H26A—C26—H26B109.5N3—C24—C23124.5 (5)
C25—C26—H26C109.5N3—C24—H24117.7
H26A—C26—H26C109.5C23—C24—H24117.7
H26B—C26—H26C109.5C2—C7—C6119.0 (5)
C29—N7—C28121.3 (7)C2—C7—C8122.2 (5)
C29—N7—C27115.0 (8)C6—C7—C8118.6 (5)
C28—N7—C27123.5 (7)C9—C8—C13118.0 (5)
N7—C27—H27A109.5C9—C8—C7122.9 (5)
N7—C27—H27B109.5C13—C8—C7118.9 (5)
H27A—C27—H27B109.5O2—C1—O1123.8 (5)
N7—C27—H27C109.5O2—C1—C2117.7 (4)
H27A—C27—H27C109.5O1—C1—C2118.5 (4)
H27B—C27—H27C109.5C7—C2—C3119.3 (5)
O8—C29—N7123.6 (8)C7—C2—C1123.2 (5)
O8—C29—H29118.2C3—C2—C1117.6 (5)
N7—C29—H29118.2N4—C22—C21121.6 (5)
N7—C28—H28A109.5N4—C22—C23121.6 (5)
N7—C28—H28B109.5C21—C22—C23116.8 (5)
H28A—C28—H28B109.5C20—C21—C22119.6 (5)
N7—C28—H28C109.5C20—C21—H21120.2
H28A—C28—H28C109.5C22—C21—H21120.2
H28B—C28—H28C109.5C22—N4—H4A120.0
C30—N9—C32120.2 (10)C22—N4—H4B120.0
C30—N9—C31118.0 (7)H4A—N4—H4B120.0
C32—N9—C31121.4 (8)C2—C3—C4120.4 (5)
N9—C32—H32A109.5C2—C3—H3119.8
N9—C32—H32B109.5C4—C3—H3119.8
H32A—C32—H32B109.5C5—C4—C3120.2 (6)
N9—C32—H32C109.5C5—C4—H4119.9
H32A—C32—H32C109.5C3—C4—H4119.9
H32B—C32—H32C109.5C5—C6—C7121.4 (5)
N9—C31—H31A109.5C5—C6—H6119.3
N9—C31—H31B109.5C7—C6—H6119.3
H31A—C31—H31B109.5C24—C23—C22119.7 (5)
N9—C31—H31C109.5C24—C23—H23120.2
H31A—C31—H31C109.5C22—C23—H23120.2
H31B—C31—H31C109.5C12—C13—C8121.9 (6)
O9—C30—N9126.8 (9)C12—C13—H13119.1
O9—C30—H30116.6C8—C13—H13119.1
N9—C30—H30116.6N1—C19—C18125.4 (6)
O5—Co1—O5i180.000 (1)N1—C19—H19117.3
O5—Co1—O1i95.43 (12)C18—C19—H19117.3
O5i—Co1—O1i84.57 (12)C4—C5—C6119.8 (6)
O5—Co1—O184.57 (12)C4—C5—H5120.1
O5i—Co1—O195.43 (12)C6—C5—H5120.1
O1i—Co1—O1180.000 (1)C19—C18—C17119.6 (6)
O5—Co1—O4i87.32 (12)C19—C18—H18120.2
O5i—Co1—O4i92.68 (12)C17—C18—H18120.2
O1i—Co1—O4i101.67 (11)N2—C17—C16120.7 (6)
O1—Co1—O4i78.33 (11)N2—C17—C18123.7 (6)
O5—Co1—O492.68 (12)C16—C17—C18115.7 (6)
O5i—Co1—O487.32 (12)C11—C10—C9120.6 (6)
O1i—Co1—O478.33 (11)C11—C10—H10119.7
O1—Co1—O4101.67 (11)C9—C10—H10119.7
O4i—Co1—O4180.000 (1)C17—N2—H2A120.0
O6—Co2—N189.94 (16)C17—N2—H2B120.0
O6—Co2—N388.28 (15)H2A—N2—H2B120.0
N1—Co2—N393.39 (16)C12—C11—C10120.2 (6)
O6—Co2—O7176.90 (15)C12—C11—H11119.9
N1—Co2—O790.40 (16)C10—C11—H11119.9
N3—Co2—O788.62 (15)C13—C12—C11119.2 (6)
O6—Co2—O1i93.72 (13)C13—C12—H12120.4
N1—Co2—O1i94.51 (14)C11—C12—H12120.4
N3—Co2—O1i171.85 (14)N1—C15—C16125.8 (6)
O7—Co2—O1i89.33 (14)N1—C15—H15117.1
O6—Co2—O491.23 (13)C16—C15—H15117.1
N1—Co2—O4171.97 (14)C15—C16—C17120.0 (6)
N3—Co2—O494.59 (14)C15—C16—H16120.0
O7—Co2—O488.86 (13)C17—C16—H16120.0
O3—C14—O4—Co1127.2 (4)O1i—Co2—N1—C1550.2 (5)
C9—C14—O4—Co150.3 (5)O4—Co2—N1—C1545.5 (13)
O3—C14—O4—Co22.1 (7)O6—Co2—N1—C1934.0 (5)
C9—C14—O4—Co2175.4 (3)N3—Co2—N1—C1954.3 (5)
Co1—O5—C25—O62.2 (8)O7—Co2—N1—C19142.9 (5)
Co1—O5—C25—C26179.2 (4)O1i—Co2—N1—C19127.7 (4)
O5—C25—O6—Co21.8 (8)O4—Co2—N1—C19132.4 (10)
C26—C25—O6—Co2178.8 (4)O3—C14—C9—C8142.5 (5)
C28—N7—C29—O8175.8 (7)O4—C14—C9—C839.9 (7)
C27—N7—C29—O80.0 (11)O3—C14—C9—C1040.7 (7)
C32—N9—C30—O9176.4 (9)O4—C14—C9—C10136.9 (5)
C31—N9—C30—O94.2 (13)C24—N3—C20—C211.0 (8)
C25—O5—Co1—O5i142 (100)Co2—N3—C20—C21179.5 (4)
C25—O5—Co1—O1i37.0 (4)C20—N3—C24—C231.1 (7)
C25—O5—Co1—O1143.0 (4)Co2—N3—C24—C23179.6 (4)
C25—O5—Co1—O4i138.5 (4)C10—C9—C8—C131.4 (7)
C25—O5—Co1—O441.5 (4)C14—C9—C8—C13175.3 (5)
C14—O4—Co1—O5154.2 (3)C10—C9—C8—C7173.4 (5)
Co2—O4—Co1—O567.19 (13)C14—C9—C8—C79.9 (7)
C14—O4—Co1—O5i25.8 (3)C2—C7—C8—C9114.7 (5)
Co2—O4—Co1—O5i112.81 (13)C6—C7—C8—C970.9 (6)
C14—O4—Co1—O1i110.8 (3)C2—C7—C8—C1370.5 (6)
Co2—O4—Co1—O1i27.80 (11)C6—C7—C8—C13103.9 (6)
C14—O4—Co1—O169.2 (3)Co1—O1—C1—O2121.2 (5)
Co2—O4—Co1—O1152.20 (11)Co2i—O1—C1—O26.7 (7)
C14—O4—Co1—O4i62.2 (10)Co1—O1—C1—C258.8 (5)
Co2—O4—Co1—O4i159.2 (10)Co2i—O1—C1—C2173.3 (3)
C25—O6—Co2—N1131.8 (5)C6—C7—C2—C30.7 (7)
C25—O6—Co2—N3134.8 (5)C8—C7—C2—C3173.7 (5)
C25—O6—Co2—O7132 (3)C6—C7—C2—C1178.5 (5)
C25—O6—Co2—O1i37.3 (5)C8—C7—C2—C17.1 (7)
C25—O6—Co2—O440.2 (5)O2—C1—C2—C7147.8 (5)
C14—O4—Co2—O6158.2 (4)O1—C1—C2—C732.3 (7)
Co1—O4—Co2—O665.85 (13)O2—C1—C2—C333.1 (7)
C14—O4—Co2—N1103.5 (11)O1—C1—C2—C3146.9 (5)
Co1—O4—Co2—N132.4 (11)N3—C20—C21—C220.2 (8)
C14—O4—Co2—N369.9 (4)N4—C22—C21—C20179.0 (5)
Co1—O4—Co2—N3154.22 (14)C23—C22—C21—C200.5 (8)
C14—O4—Co2—O718.7 (4)C7—C2—C3—C40.1 (8)
Co1—O4—Co2—O7117.25 (14)C1—C2—C3—C4179.1 (5)
C14—O4—Co2—O1i108.2 (4)C2—C3—C4—C50.9 (9)
Co1—O4—Co2—O1i27.69 (11)C2—C7—C6—C50.4 (8)
O5—Co1—O1—C124.3 (3)C8—C7—C6—C5174.2 (5)
O5i—Co1—O1—C1155.7 (3)N3—C24—C23—C220.4 (8)
O1i—Co1—O1—C1103 (100)N4—C22—C23—C24178.9 (5)
O4i—Co1—O1—C1112.7 (4)C21—C22—C23—C240.4 (8)
O4—Co1—O1—C167.3 (4)C9—C8—C13—C121.7 (8)
O5—Co1—O1—Co2i116.58 (13)C7—C8—C13—C12176.7 (5)
O5i—Co1—O1—Co2i63.42 (13)C15—N1—C19—C180.1 (9)
O1i—Co1—O1—Co2i38 (100)Co2—N1—C19—C18178.0 (5)
O4i—Co1—O1—Co2i28.20 (11)C3—C4—C5—C61.2 (9)
O4—Co1—O1—Co2i151.80 (11)C7—C6—C5—C40.5 (9)
O6—Co2—N3—C2440.1 (4)N1—C19—C18—C170.1 (10)
N1—Co2—N3—C24129.9 (4)C19—C18—C17—N2179.8 (6)
O7—Co2—N3—C24139.8 (4)C19—C18—C17—C160.0 (10)
O1i—Co2—N3—C2464.3 (11)C8—C9—C10—C113.5 (8)
O4—Co2—N3—C2451.0 (4)C14—C9—C10—C11173.3 (5)
O6—Co2—N3—C20138.3 (4)C9—C10—C11—C122.6 (9)
N1—Co2—N3—C2048.5 (4)C8—C13—C12—C112.6 (9)
O7—Co2—N3—C2041.8 (4)C10—C11—C12—C130.5 (10)
O1i—Co2—N3—C20117.3 (9)C19—N1—C15—C160.5 (10)
O4—Co2—N3—C20130.6 (4)Co2—N1—C15—C16177.6 (6)
O6—Co2—N1—C15143.9 (5)N1—C15—C16—C170.7 (12)
N3—Co2—N1—C15127.8 (5)N2—C17—C16—C15179.4 (7)
O7—Co2—N1—C1539.2 (5)C18—C17—C16—C150.4 (11)
Symmetry code: (i) x, y+2, z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2A···O80.862.152.966 (8)157
N2—H2B···O90.862.032.832 (7)155
N4—H4A···O7ii0.862.102.944 (6)164
N4—H4B···O9iii0.862.132.983 (7)170
O7—H7A···O2i0.85 (4)1.80 (4)2.627 (5)164 (4)
O7—H7B···O30.85 (2)1.75 (2)2.605 (6)175 (4)
Symmetry codes: (i) x, y+2, z+2; (ii) x, y+1/2, z+3/2; (iii) x+1, y, z.
 

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

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