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The Co atom in the title compound, [Co(C20H38N4O4)]·4H2O, is chelated by the four N atoms of the macrocycle and also covalently bonded to two carboxyl­ate O atoms in a cis-N4O2Co octa­hedral environment. The mononuclear mol­ecule inter­acts with the non-coordinated water mol­ecules by way of O—H...O inter­actions to form a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805020532/hb6232sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805020532/hb6232Isup2.hkl
Contains datablock I

CCDC reference: 282363

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.062
  • wR factor = 0.148
  • Data-to-parameter ratio = 19.4

checkCIF/PLATON results

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Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H3W2 .. H4W2 .. 2.04 Ang. PLAT420_ALERT_2_B D-H Without Acceptor O4W - H4W1 ... ?
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.673 0.899 Tmin(prime) and Tmax expected: 0.814 0.897 RR(prime) = 0.825 Please check that your absorption correction is appropriate. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.82 PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co1 - O1 .. 6.22 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co1 - O3 .. 5.47 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co1 - N1 .. 6.07 su PLAT417_ALERT_2_C Short Inter D-H..H-D H3W2 .. H4W1 .. 2.10 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 8
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8- diacetato)cobalt(II) tetrahydrate top
Crystal data top
[Co(C20H38N4O4)]·4H2OF(000) = 1140
Mr = 529.54Dx = 1.382 Mg m3
Dm = 1.382 Mg m3
Dm measured by flotation in CH2Cl2/CHCl3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 7719 reflections
a = 9.1896 (6) Åθ = 2.4–28.3°
b = 13.8731 (9) ŵ = 0.72 mm1
c = 20.001 (1) ÅT = 295 K
β = 93.641 (1)°Prism, red
V = 2544.7 (3) Å30.28 × 0.15 × 0.15 mm
Z = 4
Data collection top
Bruker APEX CCD
diffractometer
5778 independent reflections
Radiation source: fine-focus sealed tube5057 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.039
φ and ω scansθmax = 27.5°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1111
Tmin = 0.673, Tmax = 0.899k = 1718
20921 measured reflectionsl = 2525
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)] = 0.062Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.149H-atom parameters constrained
S = 1.18 w = 1/[σ2(Fo2) + (0.05P)2 + 3.0855P]
where P = (Fo2 + 2Fc2)/3
5778 reflections(Δ/σ)max = 0.001
298 parametersΔρmax = 0.67 e Å3
24 restraintsΔρmin = 0.68 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.62456 (4)0.39195 (3)0.25255 (2)0.02313 (13)
O10.5297 (3)0.49300 (17)0.31585 (12)0.0373 (5)
O20.3920 (3)0.6251 (2)0.30454 (17)0.0557 (8)
O30.7597 (3)0.51159 (16)0.23485 (12)0.0353 (5)
O40.9252 (3)0.59940 (18)0.29357 (16)0.0513 (7)
O1w0.5731 (5)0.5588 (3)0.45331 (19)0.0915 (12)
H1w10.56950.53370.41440.137*
H1w20.48890.57850.46200.137*
O2w0.8574 (7)0.5201 (6)0.5092 (4)0.178 (3)
H2w10.76840.53530.49990.267*
H2w20.86130.45950.51830.267*
O3w0.1255 (10)0.6183 (5)0.4054 (4)0.209 (4)
H3w10.03710.62800.39040.314*
H3w20.17680.66740.39200.314*
O4w0.3481 (10)0.7070 (7)0.4243 (4)0.221 (4)
H4w10.32670.76610.43690.332*
H4w20.38410.71690.38520.332*
N10.4305 (3)0.4248 (2)0.19567 (15)0.0354 (6)
N20.6995 (3)0.3060 (2)0.17511 (14)0.0342 (6)
H2n0.63490.26140.16970.041*
N30.8168 (3)0.35199 (18)0.30673 (14)0.0297 (6)
N40.5098 (3)0.27348 (19)0.28776 (14)0.0331 (6)
H4n0.55720.22420.27470.040*
C10.4460 (4)0.5514 (2)0.28267 (19)0.0369 (8)
C20.4099 (4)0.5286 (3)0.2091 (2)0.0434 (9)
H2a0.30960.54640.19710.052*
H2b0.47240.56620.18180.052*
C30.4352 (4)0.4017 (3)0.1225 (2)0.0461 (9)
H30.42300.33180.11780.055*
C40.3124 (5)0.4493 (4)0.0789 (2)0.0676 (14)
H4a0.22000.43130.09490.101*
H4b0.31730.42820.03340.101*
H4c0.32320.51800.08100.101*
C50.5854 (4)0.4270 (3)0.09812 (19)0.0478 (9)
H5a0.62000.48460.12170.057*
H5b0.57260.44340.05100.057*
C60.7054 (4)0.3503 (3)0.10633 (18)0.0437 (9)
C70.8520 (5)0.3994 (4)0.0976 (2)0.0605 (12)
H7a0.92880.35250.10250.091*
H7b0.86780.44860.13110.091*
H7c0.85140.42790.05390.091*
C80.6805 (6)0.2701 (4)0.0538 (2)0.0680 (14)
H8a0.75640.22280.05980.102*
H8b0.68160.29740.00970.102*
H8c0.58780.24010.05910.102*
C90.8320 (4)0.2545 (3)0.20323 (19)0.0390 (8)
H9a0.89460.23960.16740.047*
H9b0.80340.19420.22320.047*
C100.9158 (3)0.3153 (3)0.25586 (19)0.0363 (8)
H10a0.99270.27670.27800.044*
H10b0.96090.36930.23430.044*
C110.8758 (4)0.4434 (2)0.33442 (18)0.0351 (7)
H11a0.97930.43640.34620.042*
H11b0.82780.45970.37470.042*
C120.8517 (4)0.5244 (2)0.28285 (19)0.0353 (7)
C130.7915 (4)0.2768 (2)0.35952 (18)0.0371 (8)
H130.77530.21530.33620.045*
C140.9222 (5)0.2632 (3)0.4099 (2)0.0571 (11)
H14a1.00750.24890.38640.086*
H14b0.90310.21080.43950.086*
H14c0.93810.32120.43550.086*
C150.6528 (4)0.2998 (3)0.39473 (18)0.0406 (8)
H15a0.64430.36940.39780.049*
H15b0.66480.27520.44010.049*
C160.5079 (4)0.2604 (3)0.36264 (19)0.0401 (8)
C170.3829 (5)0.3151 (3)0.3921 (2)0.0564 (11)
H17a0.29160.29150.37250.085*
H17b0.39170.38260.38240.085*
H17c0.38680.30570.43970.085*
C180.4958 (5)0.1517 (3)0.3772 (2)0.0602 (12)
H18a0.40530.12760.35720.090*
H18b0.49900.14160.42480.090*
H18c0.57550.11830.35880.090*
C190.3679 (4)0.2688 (3)0.2477 (2)0.0439 (9)
H19a0.29620.23760.27390.053*
H19b0.37910.23040.20790.053*
C200.3139 (4)0.3692 (3)0.2274 (2)0.0427 (9)
H20a0.22940.36360.19610.051*
H20b0.28470.40340.26670.051*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0215 (2)0.0215 (2)0.0262 (2)0.00172 (15)0.00051 (15)0.00124 (16)
O10.0409 (13)0.0341 (12)0.0370 (14)0.0039 (10)0.0040 (11)0.0034 (10)
O20.0475 (16)0.0405 (15)0.079 (2)0.0113 (12)0.0054 (15)0.0168 (14)
O30.0377 (12)0.0299 (12)0.0379 (14)0.0011 (10)0.0004 (10)0.0040 (10)
O40.0518 (16)0.0300 (13)0.070 (2)0.0114 (11)0.0112 (14)0.0099 (12)
O1w0.111 (3)0.096 (3)0.067 (2)0.014 (3)0.002 (2)0.014 (2)
O2w0.141 (5)0.230 (7)0.162 (5)0.005 (5)0.005 (4)0.004 (5)
O3w0.234 (7)0.165 (6)0.212 (6)0.005 (5)0.115 (6)0.001 (5)
O4w0.238 (7)0.235 (7)0.192 (6)0.029 (6)0.027 (6)0.023 (6)
N10.0325 (14)0.0357 (15)0.0374 (17)0.0049 (12)0.0018 (12)0.0041 (12)
N20.0357 (15)0.0325 (14)0.0342 (16)0.0029 (12)0.0011 (12)0.0058 (11)
N30.0293 (13)0.0241 (13)0.0352 (15)0.0015 (10)0.0028 (11)0.0033 (11)
N40.0332 (14)0.0264 (13)0.0396 (16)0.0020 (11)0.0021 (12)0.0042 (11)
C10.0303 (16)0.0307 (17)0.050 (2)0.0009 (13)0.0062 (15)0.0038 (15)
C20.046 (2)0.0342 (19)0.049 (2)0.0110 (16)0.0024 (17)0.0028 (16)
C30.046 (2)0.052 (2)0.039 (2)0.0108 (18)0.0099 (17)0.0040 (17)
C40.062 (3)0.087 (4)0.051 (3)0.017 (3)0.022 (2)0.000 (2)
C50.055 (2)0.057 (2)0.031 (2)0.0110 (19)0.0004 (17)0.0043 (17)
C60.050 (2)0.053 (2)0.0289 (19)0.0094 (18)0.0020 (16)0.0057 (16)
C70.060 (3)0.072 (3)0.051 (3)0.005 (2)0.018 (2)0.011 (2)
C80.077 (3)0.082 (3)0.044 (3)0.015 (3)0.002 (2)0.027 (2)
C90.0373 (18)0.0316 (17)0.048 (2)0.0072 (14)0.0053 (16)0.0053 (15)
C100.0213 (14)0.0348 (18)0.052 (2)0.0070 (13)0.0031 (14)0.0039 (15)
C110.0358 (17)0.0269 (16)0.041 (2)0.0060 (13)0.0080 (15)0.0020 (14)
C120.0342 (17)0.0278 (16)0.044 (2)0.0010 (13)0.0039 (15)0.0013 (14)
C130.0405 (18)0.0280 (16)0.042 (2)0.0031 (14)0.0069 (15)0.0065 (14)
C140.057 (3)0.054 (2)0.058 (3)0.004 (2)0.017 (2)0.021 (2)
C150.050 (2)0.0376 (19)0.0343 (19)0.0066 (16)0.0030 (16)0.0037 (15)
C160.0429 (19)0.0369 (19)0.041 (2)0.0108 (15)0.0100 (16)0.0024 (15)
C170.055 (2)0.061 (3)0.056 (3)0.009 (2)0.023 (2)0.003 (2)
C180.074 (3)0.042 (2)0.065 (3)0.017 (2)0.010 (2)0.013 (2)
C190.0335 (18)0.0392 (19)0.059 (2)0.0085 (15)0.0007 (17)0.0075 (17)
C200.0295 (17)0.042 (2)0.056 (2)0.0004 (15)0.0031 (16)0.0072 (17)
Geometric parameters (Å, º) top
Co1—N12.104 (3)C5—H5a0.9700
Co1—N22.105 (3)C5—H5b0.9700
Co1—N32.088 (3)C6—C71.529 (6)
Co1—N42.099 (3)C6—C81.537 (6)
Co1—O12.114 (2)C7—H7a0.9600
Co1—O32.116 (2)C7—H7b0.9600
O1—C11.274 (4)C7—H7c0.9600
O2—C11.230 (4)C8—H8a0.9600
O3—C121.251 (4)C8—H8b0.9600
O4—C121.252 (4)C8—H8c0.9600
O1w—H1w10.85C9—C101.519 (5)
O1w—H1w20.85C9—H9a0.9700
O2w—H2w10.85C9—H9b0.9700
O2w—H2w20.86C10—H10a0.9700
O3w—H3w10.86C10—H10b0.9700
O3w—H3w20.88C11—C121.531 (5)
O4w—H4w10.88C11—H11a0.9700
O4w—H4w20.88C11—H11b0.9700
N1—C21.479 (4)C13—C151.529 (5)
N1—C201.494 (5)C13—C141.530 (5)
N1—C31.501 (5)C13—H130.9800
N2—C91.490 (4)C14—H14a0.9600
N2—C61.511 (5)C14—H14b0.9600
N2—H2n0.8600C14—H14c0.9600
N3—C111.474 (4)C15—C161.541 (5)
N3—C101.497 (4)C15—H15a0.9700
N3—C131.512 (4)C15—H15b0.9700
N4—C191.487 (4)C16—C171.526 (5)
N4—C161.510 (5)C16—C181.541 (5)
N4—H4n0.8600C17—H17a0.9600
C1—C21.520 (5)C17—H17b0.9600
C2—H2a0.9700C17—H17c0.9600
C2—H2b0.9700C18—H18a0.9600
C3—C41.531 (5)C18—H18b0.9600
C3—C51.534 (6)C18—H18c0.9600
C3—H30.9800C19—C201.524 (5)
C4—H4a0.9600C19—H19a0.9700
C4—H4b0.9600C19—H19b0.9700
C4—H4c0.9600C20—H20a0.9700
C5—C61.535 (5)C20—H20b0.9700
N1—Co1—N291.8 (1)H7a—C7—H7b109.5
N1—Co1—N3177.0 (1)C6—C7—H7c109.5
N1—Co1—N485.7 (1)H7a—C7—H7c109.5
N1—Co1—O179.2 (1)H7b—C7—H7c109.5
N1—Co1—O3103.1 (1)C6—C8—H8a109.5
N2—Co1—N385.7 (1)C6—C8—H8b109.5
N2—Co1—N489.9 (1)H8a—C8—H8b109.5
N2—Co1—O1169.4 (1)C6—C8—H8c109.5
N2—Co1—O395.6 (1)H8a—C8—H8c109.5
N3—Co1—N492.6 (1)H8b—C8—H8c109.5
N3—Co1—O1103.5 (1)N2—C9—C10111.2 (3)
N3—Co1—O379.0 (1)N2—C9—H9a109.4
N4—Co1—O194.8 (1)C10—C9—H9a109.4
N4—Co1—O3169.5 (1)N2—C9—H9b109.4
O1—Co1—O381.3 (1)C10—C9—H9b109.4
C1—O1—Co1111.6 (2)H9a—C9—H9b108.0
C12—O3—Co1111.0 (2)N3—C10—C9110.9 (3)
H1w1—O1w—H1w2109.6N3—C10—H10a109.5
H2w1—O2w—H2w2108.3C9—C10—H10a109.5
H3w1—O3w—H3w2106.6N3—C10—H10b109.5
H4w1—O4w—H4w2102.2C9—C10—H10b109.5
C2—N1—C20108.8 (3)H10a—C10—H10b108.1
C2—N1—C3113.4 (3)N3—C11—C12110.1 (3)
C20—N1—C3111.7 (3)N3—C11—H11a109.6
C2—N1—Co1103.1 (2)C12—C11—H11a109.6
C20—N1—Co1105.3 (2)N3—C11—H11b109.6
C3—N1—Co1113.9 (2)C12—C11—H11b109.6
C9—N2—C6117.6 (3)H11a—C11—H11b108.2
C9—N2—Co1106.9 (2)O3—C12—O4125.5 (3)
C6—N2—Co1118.2 (2)O3—C12—C11118.4 (3)
C9—N2—H2n104.1O4—C12—C11116.2 (3)
C6—N2—H2n104.1N3—C13—C15110.3 (3)
Co1—N2—H2n104.1N3—C13—C14113.4 (3)
C11—N3—C10108.9 (3)C15—C13—C14111.4 (3)
C11—N3—C13113.6 (3)N3—C13—H13107.1
C10—N3—C13111.5 (3)C15—C13—H13107.1
C11—N3—Co1104.21 (19)C14—C13—H13107.1
C10—N3—Co1105.58 (19)C13—C14—H14a109.5
C13—N3—Co1112.5 (2)C13—C14—H14b109.5
C19—N4—C16117.6 (3)H14a—C14—H14b109.5
C19—N4—Co1107.2 (2)C13—C14—H14c109.5
C16—N4—Co1117.7 (2)H14a—C14—H14c109.5
C19—N4—H4n104.2H14b—C14—H14c109.5
C16—N4—H4n104.2C13—C15—C16117.2 (3)
Co1—N4—H4n104.2C13—C15—H15a108.0
O2—C1—O1126.0 (4)C16—C15—H15a108.0
O2—C1—C2116.7 (3)C13—C15—H15b108.0
O1—C1—C2117.3 (3)C16—C15—H15b108.0
N1—C2—C1110.9 (3)H15a—C15—H15b107.2
N1—C2—H2a109.5N4—C16—C17112.3 (3)
C1—C2—H2a109.5N4—C16—C15107.8 (3)
N1—C2—H2b109.5C17—C16—C15108.3 (3)
C1—C2—H2b109.5N4—C16—C18108.1 (3)
H2a—C2—H2b108.1C17—C16—C18110.4 (3)
N1—C3—C4113.4 (3)C15—C16—C18109.8 (3)
N1—C3—C5110.1 (3)C16—C17—H17a109.5
C4—C3—C5111.4 (4)C16—C17—H17b109.5
N1—C3—H3107.2H17a—C17—H17b109.5
C4—C3—H3107.2C16—C17—H17c109.5
C5—C3—H3107.2H17a—C17—H17c109.5
C3—C4—H4a109.5H17b—C17—H17c109.5
C3—C4—H4b109.5C16—C18—H18a109.5
H4a—C4—H4b109.5C16—C18—H18b109.5
C3—C4—H4c109.5H18a—C18—H18b109.5
H4a—C4—H4c109.5C16—C18—H18c109.5
H4b—C4—H4c109.5H18a—C18—H18c109.5
C3—C5—C6117.5 (4)H18b—C18—H18c109.5
C3—C5—H5a107.9N4—C19—C20111.3 (3)
C6—C5—H5a107.9N4—C19—H19a109.4
C3—C5—H5b107.9C20—C19—H19a109.4
C6—C5—H5b107.9N4—C19—H19b109.4
H5a—C5—H5b107.2C20—C19—H19b109.4
N2—C6—C7111.6 (3)H19a—C19—H19b108.0
N2—C6—C5108.2 (3)N1—C20—C19110.8 (3)
C7—C6—C5108.1 (4)N1—C20—H20a109.5
N2—C6—C8108.4 (3)C19—C20—H20a109.5
C7—C6—C8109.8 (4)N1—C20—H20b109.5
C5—C6—C8110.7 (3)C19—C20—H20b109.5
C6—C7—H7a109.5H20a—C20—H20b108.1
C6—C7—H7b109.5
N3—Co1—O1—C1154.5 (2)C3—N1—C2—C1164.9 (3)
N4—Co1—O1—C1111.7 (2)Co1—N1—C2—C141.3 (3)
N1—Co1—O1—C127.0 (2)O2—C1—C2—N1157.9 (3)
N2—Co1—O1—C14.2 (7)O1—C1—C2—N122.4 (5)
O3—Co1—O1—C178.1 (2)C2—N1—C3—C447.2 (5)
N3—Co1—O3—C1229.1 (2)C20—N1—C3—C476.2 (4)
N4—Co1—O3—C127.7 (7)Co1—N1—C3—C4164.7 (3)
N1—Co1—O3—C12153.2 (2)C2—N1—C3—C578.4 (4)
N2—Co1—O3—C12113.7 (2)C20—N1—C3—C5158.3 (3)
O1—Co1—O3—C1276.5 (2)Co1—N1—C3—C539.1 (4)
N4—Co1—N1—C2131.7 (2)N1—C3—C5—C686.6 (4)
N2—Co1—N1—C2138.6 (2)C4—C3—C5—C6146.7 (4)
O1—Co1—N1—C236.0 (2)C9—N2—C6—C741.5 (4)
O3—Co1—N1—C242.4 (2)Co1—N2—C6—C789.2 (3)
N4—Co1—N1—C2017.7 (2)C9—N2—C6—C5160.3 (3)
N2—Co1—N1—C20107.4 (2)Co1—N2—C6—C529.5 (4)
O1—Co1—N1—C2078.1 (2)C9—N2—C6—C879.6 (4)
O3—Co1—N1—C20156.4 (2)Co1—N2—C6—C8149.7 (3)
N4—Co1—N1—C3105.0 (3)C3—C5—C6—N243.3 (5)
N2—Co1—N1—C315.2 (3)C3—C5—C6—C7164.3 (3)
O1—Co1—N1—C3159.3 (3)C3—C5—C6—C875.4 (5)
O3—Co1—N1—C381.0 (3)C6—N2—C9—C10103.4 (4)
N3—Co1—N2—C97.7 (2)Co1—N2—C9—C1032.3 (3)
N4—Co1—N2—C984.9 (2)C11—N3—C10—C9152.0 (3)
N1—Co1—N2—C9170.5 (2)C13—N3—C10—C981.9 (3)
O1—Co1—N2—C9158.8 (5)Co1—N3—C10—C940.6 (3)
O3—Co1—N2—C986.2 (2)N2—C9—C10—N350.6 (4)
N3—Co1—N2—C6127.7 (3)C10—N3—C11—C1273.6 (3)
N4—Co1—N2—C6139.8 (3)C13—N3—C11—C12161.5 (3)
N1—Co1—N2—C654.1 (3)Co1—N3—C11—C1238.7 (3)
O1—Co1—N2—C623.4 (7)Co1—O3—C12—O4164.2 (3)
O3—Co1—N2—C649.2 (3)Co1—O3—C12—C1114.3 (4)
N4—Co1—N3—C11137.8 (2)N3—C11—C12—O317.4 (4)
N2—Co1—N3—C11132.5 (2)N3—C11—C12—O4164.0 (3)
O1—Co1—N3—C1142.3 (2)C11—N3—C13—C1577.0 (3)
O3—Co1—N3—C1135.9 (2)C10—N3—C13—C15159.6 (3)
N4—Co1—N3—C10107.5 (2)Co1—N3—C13—C1541.1 (3)
N2—Co1—N3—C1017.8 (2)C11—N3—C13—C1448.8 (4)
O1—Co1—N3—C10156.96 (19)C10—N3—C13—C1474.7 (4)
O3—Co1—N3—C1078.8 (2)Co1—N3—C13—C14166.9 (3)
N4—Co1—N3—C1314.3 (2)N3—C13—C15—C1687.4 (4)
N2—Co1—N3—C13104.0 (2)C14—C13—C15—C16145.8 (3)
O1—Co1—N3—C1381.2 (2)C19—N4—C16—C1742.7 (4)
O3—Co1—N3—C13159.4 (2)Co1—N4—C16—C1787.9 (3)
N3—Co1—N4—C19169.5 (2)C19—N4—C16—C15162.0 (3)
N1—Co1—N4—C198.0 (2)Co1—N4—C16—C1531.3 (4)
N2—Co1—N4—C1983.8 (2)C19—N4—C16—C1879.3 (4)
O1—Co1—N4—C1986.7 (2)Co1—N4—C16—C18150.1 (3)
O3—Co1—N4—C19154.4 (5)C13—C15—C16—N441.4 (4)
N3—Co1—N4—C1655.2 (2)C13—C15—C16—C17163.2 (3)
N1—Co1—N4—C16127.3 (2)C13—C15—C16—C1876.2 (4)
N2—Co1—N4—C16140.9 (2)C16—N4—C19—C20102.7 (4)
O1—Co1—N4—C1648.5 (2)Co1—N4—C19—C2032.6 (4)
O3—Co1—N4—C1619.1 (7)C2—N1—C20—C19150.4 (3)
Co1—O1—C1—O2169.5 (3)C3—N1—C20—C1983.7 (4)
Co1—O1—C1—C210.1 (4)Co1—N1—C20—C1940.4 (3)
C20—N1—C2—C170.2 (4)N4—C19—C20—N150.8 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2n···O4i0.862.443.164 (4)143
N4—H4n···O4i0.862.222.993 (4)150
O1w—H1w1···O10.852.062.901 (4)169
O1w—H1w2···O4w0.852.302.95 (1)133
O2w—H2w1···O1w0.852.002.827 (8)164
O2w—H2w2···O3wii0.861.872.57 (1)138
O3w—H3w1···O4iii0.862.172.817 (7)132
O3w—H3w2···O4w0.881.752.40 (1)128
O4w—H4w2···O20.882.062.704 (9)129
Symmetry codes: (i) x+3/2, y1/2, z+1/2; (ii) x+1, y+1, z+1; (iii) x1, y, z.
 

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