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In the title complex, [Co(NH2CH2CH2NH2)2(NO2)2](IO4), the cations are situated on two sets of inversion centres and are linked by pairs of complementary N—H...O hydrogen bonds into columns arranged in an approximately hexa­gonal manner. The periodate anions can be envisaged as occupying triangular hollows above and below approximate hexa­gonal close-packed layers of trans-bis­(ethyl­enediamine-κ2N,N′)dinitro­cobalt(III) cations.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805012274/ci6570sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805012274/ci6570Isup2.hkl
Contains datablock I

CCDC reference: 245529

Key indicators

  • Single-crystal X-ray study
  • T = 180 K
  • Mean [sigma](C-C) = 0.002 Å
  • R factor = 0.015
  • wR factor = 0.041
  • Data-to-parameter ratio = 26.4

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT431_ALERT_2_B Short Inter HL..A Contact I1 .. O3 .. 3.11 Ang.
Alert level C PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co1 - N3 .. 6.66 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co2 - N5 .. 5.51 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co2 - N6 .. 6.96 su PLAT430_ALERT_2_C Short Inter D...A Contact O3 .. O3 .. 2.89 Ang. PLAT431_ALERT_2_C Short Inter HL..A Contact I1 .. O1 .. 3.26 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 44.00 A   3
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: APEX2 (Bruker Nonius, 2003); 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.

trans-bis(ethylenediamine-κ2N,N')dinitrocobalt(III) periodate top
Crystal data top
[Co(C2H8N2)2(NO2)2](IO4)Z = 2
Mr = 462.06F(000) = 452
Triclinic, P1Dx = 2.197 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.3556 (4) ÅCell parameters from 6850 reflections
b = 10.1773 (5) Åθ = 3.1–33.2°
c = 10.3602 (5) ŵ = 3.49 mm1
α = 79.123 (2)°T = 180 K
β = 74.383 (2)°Block, yellow
γ = 70.125 (2)°0.28 × 0.20 × 0.20 mm
V = 698.39 (6) Å3
Data collection top
Bruker Nonius X8 APEX-II CCD area-detector
diffractometer
4857 independent reflections
Radiation source: fine-focus sealed tube4633 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.014
thin–slice ω and φ scansθmax = 33.3°, θmin = 4.0°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
h = 1010
Tmin = 0.429, Tmax = 0.498k = 1515
7750 measured reflectionsl = 1514
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)] = 0.015Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.041H-atom parameters constrained
S = 1.11 w = 1/[σ2(Fo2) + (0.0191P)2 + 0.1654P]
where P = (Fo2 + 2Fc2)/3
4857 reflections(Δ/σ)max = 0.002
184 parametersΔρmax = 0.55 e Å3
0 restraintsΔρmin = 0.78 e Å3
Special details top

Experimental. All H atoms placed geometrically and refined using a riding model.

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
Co10.00000.50000.50000.01212 (4)
N10.18028 (15)0.55178 (12)0.67214 (11)0.01626 (19)
H1C0.23020.47940.71470.020*
H1D0.11320.56900.72720.020*
N20.21867 (16)0.61717 (12)0.41803 (11)0.01695 (19)
H2C0.18920.69610.37040.020*
H2D0.23700.56840.35880.020*
C10.34488 (19)0.67993 (14)0.64610 (14)0.0200 (2)
H1A0.30050.76450.62830.024*
H1B0.45850.69130.72480.024*
C20.40350 (18)0.65938 (15)0.52372 (14)0.0210 (2)
H2A0.46970.58540.54680.025*
H2B0.49620.74780.49120.025*
N30.08672 (15)0.66230 (12)0.48960 (12)0.0175 (2)
O310.13963 (16)0.68218 (12)0.58610 (12)0.0270 (2)
O320.08403 (18)0.74833 (12)0.38688 (12)0.0296 (2)
Co20.00000.00000.00000.01378 (5)
N40.20032 (16)0.13540 (11)0.08996 (12)0.0175 (2)
H4C0.14420.19580.15260.021*
H4D0.30020.18760.02770.021*
N50.01491 (17)0.13782 (12)0.10228 (13)0.0194 (2)
H5A0.08450.19460.04640.023*
H5B0.11080.19360.13680.023*
C30.2834 (2)0.05981 (15)0.15784 (15)0.0214 (2)
H3A0.38880.02680.09250.026*
H3B0.34130.12300.23140.026*
C40.1154 (2)0.06346 (15)0.21380 (15)0.0232 (3)
H4A0.02170.03070.29060.028*
H4B0.16690.12680.24550.028*
N60.20998 (16)0.03784 (12)0.14519 (12)0.0195 (2)
O610.34406 (18)0.05964 (13)0.19964 (14)0.0362 (3)
O620.21024 (17)0.16080 (12)0.18326 (12)0.0282 (2)
I10.697895 (10)0.553556 (7)0.082435 (7)0.01332 (3)
O10.70196 (15)0.40058 (11)0.02204 (12)0.0257 (2)
O20.49868 (15)0.59377 (12)0.22472 (11)0.0239 (2)
O30.91623 (15)0.51966 (13)0.14096 (11)0.0257 (2)
O40.67200 (15)0.70025 (11)0.04195 (10)0.02182 (19)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.01199 (9)0.01423 (10)0.01017 (10)0.00494 (8)0.00134 (7)0.00126 (8)
N10.0159 (4)0.0204 (5)0.0122 (4)0.0063 (4)0.0013 (4)0.0026 (4)
N20.0169 (4)0.0194 (5)0.0144 (5)0.0054 (4)0.0043 (4)0.0005 (4)
C10.0172 (5)0.0201 (6)0.0204 (6)0.0030 (4)0.0013 (4)0.0065 (5)
C20.0143 (5)0.0259 (6)0.0212 (6)0.0036 (5)0.0036 (4)0.0038 (5)
N30.0148 (4)0.0176 (5)0.0193 (5)0.0058 (4)0.0000 (4)0.0036 (4)
O310.0297 (5)0.0293 (5)0.0292 (6)0.0143 (4)0.0084 (4)0.0075 (4)
O320.0386 (6)0.0246 (5)0.0262 (6)0.0173 (5)0.0044 (5)0.0058 (4)
Co20.01359 (9)0.00910 (9)0.01794 (11)0.00302 (7)0.00368 (8)0.00034 (8)
N40.0181 (4)0.0121 (4)0.0217 (5)0.0028 (4)0.0068 (4)0.0000 (4)
N50.0213 (5)0.0124 (5)0.0246 (6)0.0046 (4)0.0055 (4)0.0023 (4)
C30.0201 (5)0.0198 (6)0.0268 (7)0.0069 (5)0.0094 (5)0.0007 (5)
C40.0287 (6)0.0203 (6)0.0231 (7)0.0074 (5)0.0082 (5)0.0044 (5)
N60.0174 (5)0.0196 (5)0.0215 (5)0.0065 (4)0.0052 (4)0.0004 (4)
O610.0257 (5)0.0301 (6)0.0416 (7)0.0046 (4)0.0091 (5)0.0086 (5)
O620.0343 (5)0.0227 (5)0.0290 (6)0.0154 (4)0.0074 (4)0.0069 (4)
I10.01363 (4)0.01237 (4)0.01385 (4)0.00358 (3)0.00371 (3)0.00094 (3)
O10.0249 (5)0.0150 (4)0.0395 (6)0.0041 (4)0.0087 (4)0.0100 (4)
O20.0202 (4)0.0266 (5)0.0204 (5)0.0067 (4)0.0035 (4)0.0044 (4)
O30.0185 (4)0.0389 (6)0.0201 (5)0.0039 (4)0.0092 (4)0.0061 (4)
O40.0276 (5)0.0182 (4)0.0196 (5)0.0083 (4)0.0084 (4)0.0052 (4)
Geometric parameters (Å, º) top
Co1—N31.9388 (11)Co2—N41.9527 (11)
Co1—N3i1.9388 (11)Co2—N4ii1.9527 (11)
Co1—N21.9441 (11)Co2—N51.9572 (11)
Co1—N2i1.9441 (11)Co2—N5ii1.9572 (11)
Co1—N11.9552 (10)N4—C31.4885 (18)
Co1—N1i1.9552 (11)N4—H4C0.92
N1—C11.4863 (17)N4—H4D0.92
N1—H1C0.92N5—C41.4845 (18)
N1—H1D0.92N5—H5A0.92
N2—C21.4869 (17)N5—H5B0.92
N2—H2C0.92C3—C41.507 (2)
N2—H2D0.92C3—H3A0.99
C1—C21.514 (2)C3—H3B0.99
C1—H1A0.99C4—H4A0.99
C1—H1B0.99C4—H4B0.99
C2—H2A0.99N6—O611.2335 (16)
C2—H2B0.99N6—O621.2395 (15)
N3—O311.2375 (15)I1—O31.7705 (10)
N3—O321.2440 (15)I1—O41.7716 (10)
Co2—N6ii1.9317 (11)I1—O11.7726 (10)
Co2—N61.9317 (11)I1—O21.7734 (10)
N3—Co1—N3i180.0N6ii—Co2—N4ii90.95 (5)
N3—Co1—N289.96 (5)N6—Co2—N4ii89.05 (5)
N3i—Co1—N290.04 (5)N4—Co2—N4ii180.0
N3—Co1—N2i90.04 (5)N6ii—Co2—N590.88 (5)
N3i—Co1—N2i89.96 (5)N6—Co2—N589.12 (5)
N2—Co1—N2i180.0N4—Co2—N585.70 (5)
N3—Co1—N188.61 (5)N4ii—Co2—N594.30 (5)
N3i—Co1—N191.39 (5)N6ii—Co2—N5ii89.12 (5)
N2—Co1—N185.94 (5)N6—Co2—N5ii90.88 (5)
N2i—Co1—N194.06 (5)N4—Co2—N5ii94.30 (5)
N3—Co1—N1i91.39 (5)N4ii—Co2—N5ii85.70 (5)
N3i—Co1—N1i88.61 (5)N5—Co2—N5ii180.0
N2—Co1—N1i94.06 (5)C3—N4—Co2109.70 (8)
N2i—Co1—N1i85.95 (5)C3—N4—H4C109.7
N1—Co1—N1i180.0Co2—N4—H4C109.7
C1—N1—Co1108.75 (8)C3—N4—H4D109.7
C1—N1—H1C109.9Co2—N4—H4D109.7
Co1—N1—H1C109.9H4C—N4—H4D108.2
C1—N1—H1D109.9C4—N5—Co2109.45 (8)
Co1—N1—H1D109.9C4—N5—H5A109.8
H1C—N1—H1D108.3Co2—N5—H5A109.8
C2—N2—Co1110.18 (8)C4—N5—H5B109.8
C2—N2—H2C109.6Co2—N5—H5B109.8
Co1—N2—H2C109.6H5A—N5—H5B108.2
C2—N2—H2D109.6N4—C3—C4107.30 (11)
Co1—N2—H2D109.6N4—C3—H3A110.3
H2C—N2—H2D108.1C4—C3—H3A110.3
N1—C1—C2106.24 (11)N4—C3—H3B110.3
N1—C1—H1A110.5C4—C3—H3B110.3
C2—C1—H1A110.5H3A—C3—H3B108.5
N1—C1—H1B110.5N5—C4—C3106.58 (12)
C2—C1—H1B110.5N5—C4—H4A110.4
H1A—C1—H1B108.7C3—C4—H4A110.4
N2—C2—C1107.24 (10)N5—C4—H4B110.4
N2—C2—H2A110.3C3—C4—H4B110.4
C1—C2—H2A110.3H4A—C4—H4B108.6
N2—C2—H2B110.3O61—N6—O62119.92 (12)
C1—C2—H2B110.3O61—N6—Co2120.37 (10)
H2A—C2—H2B108.5O62—N6—Co2119.71 (9)
O31—N3—O32120.11 (12)O3—I1—O4110.50 (5)
O31—N3—Co1120.15 (9)O3—I1—O1109.56 (5)
O32—N3—Co1119.71 (9)O4—I1—O1112.14 (5)
N6ii—Co2—N6180.00 (5)O3—I1—O2105.83 (5)
N6ii—Co2—N489.05 (5)O4—I1—O2109.16 (5)
N6—Co2—N490.95 (5)O1—I1—O2109.44 (5)
N3—Co1—N1—C171.41 (9)N6ii—Co2—N4—C378.75 (9)
N3i—Co1—N1—C1108.59 (9)N6—Co2—N4—C3101.25 (9)
N2—Co1—N1—C118.65 (9)N5—Co2—N4—C312.21 (9)
N2i—Co1—N1—C1161.35 (9)N5ii—Co2—N4—C3167.79 (9)
N3—Co1—N2—C298.21 (9)N6ii—Co2—N5—C4104.86 (9)
N3i—Co1—N2—C281.79 (9)N6—Co2—N5—C475.14 (9)
N1—Co1—N2—C29.60 (9)N4—Co2—N5—C415.88 (9)
N1i—Co1—N2—C2170.40 (9)N4ii—Co2—N5—C4164.12 (9)
Co1—N1—C1—C242.03 (12)Co2—N4—C3—C437.20 (13)
Co1—N2—C2—C135.17 (13)Co2—N5—C4—C339.90 (13)
N1—C1—C2—N249.95 (14)N4—C3—C4—N549.88 (14)
N2—Co1—N3—O31136.81 (10)N4—Co2—N6—O61129.13 (12)
N2i—Co1—N3—O3143.19 (10)N4ii—Co2—N6—O6150.87 (12)
N1—Co1—N3—O3150.87 (10)N5—Co2—N6—O6143.45 (12)
N1i—Co1—N3—O31129.13 (10)N5ii—Co2—N6—O61136.55 (12)
N2—Co1—N3—O3241.32 (10)N4—Co2—N6—O6251.22 (11)
N2i—Co1—N3—O32138.68 (10)N4ii—Co2—N6—O62128.78 (11)
N1—Co1—N3—O32127.26 (10)N5—Co2—N6—O62136.91 (11)
N1i—Co1—N3—O3252.74 (10)N5ii—Co2—N6—O6243.09 (11)
Symmetry codes: (i) x, y+1, z+1; (ii) x, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1C···O2i0.922.243.0390 (15)145
N1—H1D···O3iii0.922.122.9297 (15)146
N5—H5A···O4iv0.922.373.1347 (15)141
N4—H4D···O1v0.922.332.9258 (15)122
N2—H2D···O2vi0.922.603.3389 (16)138
N2—H2C···O62vii0.922.202.9943 (16)144
N5—H5B···O1vi0.922.393.0244 (16)126
N4—H4C···O32viii0.922.343.0809 (17)137
N4—H4D···O4viii0.922.543.3267 (15)144
Symmetry codes: (i) x, y+1, z+1; (iii) x+1, y+1, z+1; (iv) x+1, y+1, z; (v) x+1, y, z; (vi) x1, y, z; (vii) x, y+1, z; (viii) x, y1, z.
 

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