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The X-ray structure of racemic tris­(ethane-1,2-di­amine-κ2N,N′)cobalt(III) tris­(oxalato-κ2O1,O2)cobaltate(III) penta­hydrate, [Co(C2H8N2)3][Co(C2O4)3]·5H2O or [Co(en)3][Co(ox)3]·5H2O, has been determined. Hydrogen-bonding inter­actions along the C3-axis of the [Co(en)3]3+ cation with the [Co(ox)3]3− anion are heterochiral, while those perpendicular to this axis are homochiral. Implications for the inter­pretation of chiral discriminations and induction in electron-transfer reactions in solution are discussed.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229622002194/ep3021sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229622002194/ep3021Isup2.hkl
Contains datablock I

CCDC reference: 2076925

Computing details top

Data collection: APEX2 (Bruker, 2014); cell refinement: SAINT (Bruker, 2014); data reduction: SAINT (Bruker, 2014); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015b); molecular graphics: Mercury (Macrae et al., 2020); software used to prepare material for publication: SHELXL2018 (Sheldrick, 2015b) and PLATON (Spek, 2020).

Tris(ethane-1,2-diamine-κ2N,N')cobalt(III) tris(oxalato-κ2O1,O2)cobaltate(III) pentahydrate top
Crystal data top
[Co(C2H8N2)3][Co(C2O4)3]·5H2OZ = 2
Mr = 652.31F(000) = 676
Triclinic, P1Dx = 1.684 Mg m3
a = 8.606 (5) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.153 (8) ÅCell parameters from 2978 reflections
c = 13.562 (8) Åθ = 2.2–24.7°
α = 77.480 (12)°µ = 1.38 mm1
β = 74.393 (12)°T = 120 K
γ = 72.198 (12)°Block, green
V = 1286.7 (14) Å30.08 × 0.06 × 0.03 mm
Data collection top
Bruker APEXII
diffractometer
5289 independent reflections
Radiation source: fine-focus sealed tube3250 reflections with I > 2σ(I)
Detector resolution: 8.33 pixels mm-1Rint = 0.113
combination of ω and φ–scansθmax = 26.6°, θmin = 1.6°
Absorption correction: numerical
(SADABS; Krause et al., 2015)
h = 1010
Tmin = 0.839, Tmax = 1.000k = 1515
17566 measured reflectionsl = 1716
Refinement top
Refinement on F2Primary atom site location: dual
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.088Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.236H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.098P)2 + 7.2608P]
where P = (Fo2 + 2Fc2)/3
5289 reflections(Δ/σ)max < 0.001
335 parametersΔρmax = 2.20 e Å3
0 restraintsΔρmin = 0.86 e Å3
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Data were treated with the SQUEEZE routine as implemented in PLATON (Spek, 2020). This was applied to account for two disordered water locations in the solvent channel. A detailed analysis of the SQUEEZE routine is provided at the end of this CIF. In summary two void spaces totaling 35 Å3 accounting for 16 electrons of density were corrected for.

Data were collected on a Bruker APEXII diffractometer using a combination of ω- and φ-scans of 0.5° (Bruker, 2014). The data were corrected for absorption and polarization effects and analysed for space group determination. The structure was solved by intrinsic phasing methods and expanded routinely (Sheldrick, 2015a). The model was refined by full-matrix least-squares analysis of F2 against all reflections (Sheldrick, 2015b). All non-hydrogen atoms were refined with anisotropic atomic displacement parameters.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.04626 (13)0.85797 (9)0.26266 (7)0.0142 (3)
N10.1474 (8)0.9836 (5)0.1894 (5)0.0163 (14)
H1A0.2230060.9881130.2230540.020*
H1B0.2027690.9679390.1245480.020*
C10.0187 (10)1.0974 (7)0.1822 (6)0.0202 (18)
H1C0.0388961.1049750.1260110.024*
H1D0.0704181.1631430.1684700.024*
N20.1520 (8)0.9856 (6)0.3089 (5)0.0182 (15)
H2A0.2334500.9924660.2751170.022*
H2B0.1931700.9688570.3779750.022*
C20.1037 (10)1.0966 (6)0.2868 (6)0.0194 (17)
H2C0.0502211.1016470.3411810.023*
H2D0.2034061.1638240.2844780.023*
N30.1323 (8)0.8467 (6)0.3858 (5)0.0182 (15)
H3A0.1152930.9195270.4008480.022*
H3B0.0769620.8056950.4410830.022*
C30.3143 (10)0.7870 (7)0.3656 (6)0.0241 (19)
H3C0.3511720.7553890.4316580.029*
H3D0.3795200.8425700.3248280.029*
N40.2534 (8)0.7400 (6)0.2189 (5)0.0182 (14)
H4A0.2296280.6822160.1973550.022*
H4B0.3214090.7730470.1647190.022*
C40.3406 (11)0.6894 (7)0.3060 (6)0.025 (2)
H4C0.4614270.6564030.2791600.030*
H4D0.2936330.6263460.3513380.030*
N50.0775 (8)0.7412 (6)0.3312 (5)0.0215 (16)
H5A0.0070910.6680740.3303320.026*
H5B0.1243920.7517360.3982430.026*
C50.2127 (10)0.7553 (8)0.2735 (6)0.027 (2)
H5C0.2582650.6861390.2934650.033*
H5D0.3052760.8256160.2889700.033*
N60.0292 (8)0.8532 (6)0.1399 (5)0.0205 (15)
H6A0.0921790.9254380.1190160.025*
H6B0.0614230.8341350.0876040.025*
C60.1288 (11)0.7677 (7)0.1601 (6)0.026 (2)
H6C0.0552450.6912300.1419960.032*
H6D0.2141040.7949660.1174320.032*
Co20.40708 (13)0.20495 (9)0.22434 (8)0.0166 (3)
O10.5122 (7)0.3254 (5)0.1591 (4)0.0244 (13)
O20.4514 (9)0.5212 (6)0.1312 (5)0.0432 (19)
O30.2105 (7)0.3265 (5)0.2609 (4)0.0239 (13)
O40.1291 (8)0.5207 (5)0.2452 (5)0.0352 (16)
O50.3502 (7)0.2066 (5)0.0969 (4)0.0223 (13)
O60.4847 (7)0.1597 (5)0.0605 (4)0.0280 (14)
O70.6047 (7)0.0912 (5)0.1770 (4)0.0203 (13)
O80.7616 (7)0.0379 (5)0.0266 (4)0.0196 (12)
O90.4707 (7)0.1998 (5)0.3494 (4)0.0226 (13)
O100.3867 (7)0.1436 (5)0.5194 (4)0.0277 (14)
O110.2948 (7)0.0896 (5)0.3015 (4)0.0186 (12)
O120.1876 (7)0.0315 (5)0.4662 (4)0.0221 (13)
C70.4142 (11)0.4291 (7)0.1666 (6)0.0244 (19)
C80.2372 (11)0.4292 (8)0.2297 (6)0.028 (2)
C90.4781 (11)0.1558 (7)0.0302 (6)0.0232 (19)
C100.6279 (10)0.0896 (6)0.0794 (6)0.0156 (16)
C110.3844 (9)0.1458 (7)0.4282 (6)0.0182 (17)
C120.2797 (9)0.0827 (7)0.3991 (6)0.0163 (16)
O1W0.8017 (9)0.3070 (6)0.0032 (5)0.0389 (17)
O2W0.0117 (10)0.6648 (7)0.5452 (6)0.060 (2)
O3W0.7696 (18)0.5582 (9)0.0160 (9)0.109 (4)
O4W0.7888 (16)0.4817 (10)0.2236 (9)0.104 (4)
O5W0.5501 (16)0.3926 (8)0.3852 (8)0.091 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0156 (6)0.0149 (5)0.0078 (5)0.0012 (4)0.0034 (4)0.0046 (4)
N10.021 (3)0.013 (3)0.014 (3)0.003 (3)0.004 (3)0.009 (3)
C10.022 (4)0.018 (4)0.016 (4)0.001 (3)0.005 (3)0.001 (3)
N20.017 (3)0.021 (4)0.011 (3)0.002 (3)0.001 (3)0.001 (3)
C20.021 (4)0.011 (4)0.020 (4)0.002 (3)0.001 (3)0.004 (3)
N30.018 (3)0.015 (3)0.015 (3)0.002 (3)0.005 (3)0.002 (3)
C30.022 (4)0.025 (5)0.020 (4)0.000 (4)0.001 (3)0.007 (3)
N40.022 (4)0.015 (3)0.015 (3)0.005 (3)0.001 (3)0.003 (3)
C40.025 (5)0.025 (4)0.017 (4)0.003 (4)0.002 (3)0.006 (3)
N50.020 (4)0.021 (4)0.016 (3)0.002 (3)0.004 (3)0.002 (3)
C50.018 (4)0.037 (5)0.027 (5)0.005 (4)0.001 (3)0.015 (4)
N60.016 (3)0.021 (4)0.020 (4)0.002 (3)0.002 (3)0.003 (3)
C60.034 (5)0.020 (4)0.025 (5)0.006 (4)0.006 (4)0.004 (4)
Co20.0194 (6)0.0156 (6)0.0100 (5)0.0017 (4)0.0030 (4)0.0042 (4)
O10.023 (3)0.021 (3)0.023 (3)0.008 (2)0.009 (2)0.007 (2)
O20.048 (4)0.026 (4)0.043 (4)0.012 (3)0.016 (3)0.008 (3)
O30.024 (3)0.020 (3)0.019 (3)0.006 (2)0.009 (2)0.003 (2)
O40.029 (4)0.025 (3)0.039 (4)0.002 (3)0.006 (3)0.008 (3)
O50.018 (3)0.026 (3)0.016 (3)0.002 (2)0.001 (2)0.000 (2)
O60.028 (3)0.037 (4)0.017 (3)0.006 (3)0.002 (2)0.005 (3)
O70.024 (3)0.022 (3)0.012 (3)0.003 (2)0.002 (2)0.005 (2)
O80.022 (3)0.019 (3)0.010 (3)0.003 (2)0.001 (2)0.004 (2)
O90.026 (3)0.022 (3)0.019 (3)0.006 (2)0.002 (2)0.010 (2)
O100.029 (3)0.040 (4)0.018 (3)0.012 (3)0.001 (2)0.015 (3)
O110.029 (3)0.021 (3)0.007 (2)0.009 (2)0.001 (2)0.004 (2)
O120.022 (3)0.022 (3)0.017 (3)0.004 (2)0.002 (2)0.000 (2)
C70.031 (5)0.017 (4)0.021 (4)0.006 (4)0.003 (4)0.004 (3)
C80.031 (5)0.022 (5)0.022 (4)0.001 (4)0.000 (4)0.006 (4)
C90.028 (5)0.026 (5)0.017 (4)0.013 (4)0.001 (3)0.005 (3)
C100.020 (4)0.013 (4)0.011 (4)0.010 (3)0.007 (3)0.000 (3)
C110.015 (4)0.026 (4)0.013 (4)0.005 (3)0.003 (3)0.010 (3)
C120.010 (4)0.019 (4)0.018 (4)0.001 (3)0.001 (3)0.010 (3)
O1W0.047 (4)0.030 (4)0.032 (4)0.007 (3)0.010 (3)0.015 (3)
O2W0.066 (5)0.049 (5)0.033 (4)0.002 (4)0.016 (4)0.009 (4)
O3W0.160 (12)0.072 (7)0.092 (8)0.013 (7)0.048 (8)0.009 (6)
O4W0.119 (10)0.103 (9)0.103 (9)0.065 (8)0.002 (7)0.022 (7)
O5W0.150 (11)0.060 (6)0.081 (7)0.039 (7)0.028 (7)0.025 (5)
Geometric parameters (Å, º) top
Co1—N11.940 (7)N5—H5B0.9100
Co1—N41.955 (6)C5—C61.509 (12)
Co1—N51.957 (7)C5—H5C0.9900
Co1—N61.961 (7)C5—H5D0.9900
Co1—N31.965 (7)N6—C61.478 (11)
Co1—N21.985 (6)N6—H6A0.9100
N1—C11.487 (9)N6—H6B0.9100
N1—H1A0.9100C6—H6C0.9900
N1—H1B0.9100C6—H6D0.9900
C1—C21.522 (11)Co2—O11.887 (6)
C1—H1C0.9900Co2—O71.891 (5)
C1—H1D0.9900Co2—O91.900 (6)
N2—C21.477 (10)Co2—O31.905 (6)
N2—H2A0.9100Co2—O111.909 (5)
N2—H2B0.9100Co2—O51.913 (6)
C2—H2C0.9900O1—C71.293 (10)
C2—H2D0.9900O2—C71.220 (10)
N3—C31.489 (10)O3—C81.297 (11)
N3—H3A0.9100O4—C81.228 (10)
N3—H3B0.9100O5—C91.304 (10)
C3—C41.504 (12)O6—C91.208 (10)
C3—H3C0.9900O7—C101.288 (9)
C3—H3D0.9900O8—C101.241 (9)
N4—C41.490 (10)O9—C111.300 (9)
N4—H4A0.9100O10—C111.237 (9)
N4—H4B0.9100O11—C121.281 (9)
C4—H4C0.9900O12—C121.229 (9)
C4—H4D0.9900C7—C81.533 (12)
N5—C51.518 (11)C9—C101.533 (12)
N5—H5A0.9100C11—C121.517 (11)
N1—Co1—N491.5 (3)C5—N5—Co1108.1 (5)
N1—Co1—N5173.8 (3)C5—N5—H5A110.1
N4—Co1—N593.2 (3)Co1—N5—H5A110.1
N1—Co1—N691.1 (3)C5—N5—H5B110.1
N4—Co1—N690.0 (3)Co1—N5—H5B110.1
N5—Co1—N684.9 (3)H5A—N5—H5B108.4
N1—Co1—N392.1 (3)C6—C5—N5105.7 (7)
N4—Co1—N385.5 (3)C6—C5—H5C110.6
N5—Co1—N392.3 (3)N5—C5—H5C110.6
N6—Co1—N3174.5 (3)C6—C5—H5D110.6
N1—Co1—N284.7 (3)N5—C5—H5D110.6
N4—Co1—N2175.1 (3)H5C—C5—H5D108.7
N5—Co1—N290.8 (3)C6—N6—Co1112.1 (5)
N6—Co1—N293.2 (3)C6—N6—H6A109.2
N3—Co1—N291.5 (3)Co1—N6—H6A109.2
C1—N1—Co1111.1 (5)C6—N6—H6B109.2
C1—N1—H1A109.4Co1—N6—H6B109.2
Co1—N1—H1A109.4H6A—N6—H6B107.9
C1—N1—H1B109.4N6—C6—C5108.3 (7)
Co1—N1—H1B109.4N6—C6—H6C110.0
H1A—N1—H1B108.0C5—C6—H6C110.0
N1—C1—C2105.5 (6)N6—C6—H6D110.0
N1—C1—H1C110.6C5—C6—H6D110.0
C2—C1—H1C110.6H6C—C6—H6D108.4
N1—C1—H1D110.6O1—Co2—O790.6 (2)
C2—C1—H1D110.6O1—Co2—O990.6 (3)
H1C—C1—H1D108.8O7—Co2—O992.4 (2)
C2—N2—Co1109.5 (5)O1—Co2—O386.1 (2)
C2—N2—H2A109.8O7—Co2—O3175.3 (2)
Co1—N2—H2A109.8O9—Co2—O390.9 (2)
C2—N2—H2B109.8O1—Co2—O11174.8 (2)
Co1—N2—H2B109.8O7—Co2—O1192.7 (2)
H2A—N2—H2B108.2O9—Co2—O1185.2 (2)
N2—C2—C1106.9 (6)O3—Co2—O1190.8 (2)
N2—C2—H2C110.3O1—Co2—O589.3 (3)
C1—C2—H2C110.3O7—Co2—O585.6 (2)
N2—C2—H2D110.3O9—Co2—O5178.1 (2)
C1—C2—H2D110.3O3—Co2—O591.0 (2)
H2C—C2—H2D108.6O11—Co2—O595.0 (2)
C3—N3—Co1109.2 (5)C7—O1—Co2113.7 (5)
C3—N3—H3A109.8C8—O3—Co2112.0 (5)
Co1—N3—H3A109.8C9—O5—Co2112.3 (5)
C3—N3—H3B109.8C10—O7—Co2111.2 (5)
Co1—N3—H3B109.8C11—O9—Co2111.7 (5)
H3A—N3—H3B108.3C12—O11—Co2111.8 (5)
N3—C3—C4107.1 (7)O2—C7—O1126.5 (8)
N3—C3—H3C110.3O2—C7—C8120.2 (8)
C4—C3—H3C110.3O1—C7—C8113.3 (7)
N3—C3—H3D110.3O4—C8—O3123.6 (8)
C4—C3—H3D110.3O4—C8—C7121.6 (8)
H3C—C3—H3D108.5O3—C8—C7114.8 (7)
C4—N4—Co1110.3 (5)O6—C9—O5126.1 (8)
C4—N4—H4A109.6O6—C9—C10121.8 (7)
Co1—N4—H4A109.6O5—C9—C10112.0 (7)
C4—N4—H4B109.6O8—C10—O7123.4 (7)
Co1—N4—H4B109.6O8—C10—C9120.7 (7)
H4A—N4—H4B108.1O7—C10—C9115.9 (6)
N4—C4—C3107.1 (6)O10—C11—O9124.2 (8)
N4—C4—H4C110.3O10—C11—C12121.8 (7)
C3—C4—H4C110.3O9—C11—C12114.0 (6)
N4—C4—H4D110.3O12—C12—O11124.6 (7)
C3—C4—H4D110.3O12—C12—C11120.8 (7)
H4C—C4—H4D108.5O11—C12—C11114.6 (7)
Co1—N1—C1—C240.0 (7)O2—C7—C8—O40.6 (14)
Co1—N2—C2—C139.1 (7)O1—C7—C8—O4179.2 (8)
N1—C1—C2—N250.7 (8)O2—C7—C8—O3178.1 (8)
Co1—N3—C3—C439.8 (7)O1—C7—C8—O33.4 (11)
Co1—N4—C4—C336.5 (8)Co2—O5—C9—O6168.0 (7)
N3—C3—C4—N449.3 (8)Co2—O5—C9—C1010.8 (8)
Co1—N5—C5—C645.4 (7)Co2—O7—C10—O8167.1 (6)
Co1—N6—C6—C527.9 (8)Co2—O7—C10—C913.4 (8)
N5—C5—C6—N646.9 (8)O6—C9—C10—O80.1 (12)
O7—Co2—O1—C7176.6 (6)O5—C9—C10—O8178.7 (7)
O9—Co2—O1—C790.9 (6)O6—C9—C10—O7179.4 (8)
O3—Co2—O1—C70.0 (6)O5—C9—C10—O71.7 (10)
O5—Co2—O1—C791.0 (6)Co2—O9—C11—O10170.4 (6)
O1—Co2—O7—C1073.8 (5)Co2—O9—C11—C1210.4 (8)
O9—Co2—O7—C10164.4 (5)Co2—O11—C12—O12166.3 (6)
O11—Co2—O7—C10110.2 (5)Co2—O11—C12—C1112.6 (8)
O5—Co2—O7—C1015.4 (5)O10—C11—C12—O123.3 (11)
Co2—O1—C7—O2179.9 (8)O9—C11—C12—O12177.5 (7)
Co2—O1—C7—C81.7 (9)O10—C11—C12—O11177.7 (7)
Co2—O3—C8—O4179.4 (7)O9—C11—C12—O111.5 (9)
Co2—O3—C8—C73.2 (9)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1A···O11i0.912.102.910 (8)147
N1—H1B···O8ii0.912.002.869 (8)159
N2—H2A···O7iii0.912.112.934 (8)151
N2—H2B···O10iv0.912.433.129 (9)134
N2—H2B···O12iv0.912.132.951 (8)150
N3—H3A···O12i0.912.092.906 (9)149
N3—H3B···O2W0.912.092.960 (10)161
N4—H4A···O20.912.422.983 (9)121
N4—H4A···O40.912.283.082 (10)147
N4—H4B···O6ii0.912.123.020 (9)168
N5—H5A···O40.912.193.005 (9)149
N5—H5B···O10iv0.912.343.033 (9)133
N5—H5B···O2W0.912.463.077 (11)125
N6—H6A···O8iii0.912.022.857 (8)152
N6—H6B···O8ii0.912.503.151 (9)128
N6—H6B···O1Wii0.912.182.942 (9)141
Symmetry codes: (i) x, y+1, z; (ii) x+1, y+1, z; (iii) x1, y+1, z; (iv) x, y+1, z+1.
Interionic hydrogen-bonding graph-set notation for oxalate-containing complexes with the major symmetry axes of Δ-[Co(en)3]3+ (see Fig. 4) top
Metal–metal distance (Å)Axis of interactionStereoselectivity of anionGraph-set notation
[Rh(ox)3]3- (Kuroda, 1991)
4.905C3ΔR12(4)R21(6)R22(8)R12(4)
R21(6)R22(8)R12(4)R21(6)\ R22(8)
4.972C3ΔR22(8)R22(8)R22(8)
7.730C2ΔR12(5)R21(6)R22(9)
[Cr(ox)3]3- (Hua et al., 2001)
4.948C3ΔR12(4)R21(6)R22(8)R12(4)
R21(6)R22(8)R12(4)R21(6)\ R22(8)
5.022C3ΔR22(8)R22(8)R22(8)
7.724C2ΔR12(5)R21(6)R22(9)
[Cr(ox)3]3-a (Hua et al., 2001)
4.983C3ΔR22(8)R22(8)R22(8)
5.061C3ΔR12(5)R21(6)R22(9)
7.771C2ΔR12(5)R21(6)R22(9)
[Rh(ox)3]3- (Kuroda, 1991)
5.121C3ΛbR22(8)R22(8)R22(8)
7.564C3ΔcR12(5)R21(6)R22(9)
5.452C2Δ/ΛR22(8)
7.764C2Δ/ΛR21(6)
7.681C2Δ/ΛR21(6)
[Co(ox)3]3- (this work)
7.009 (4)C3Δ\ R12(5)R21(6)R21(6)R22(9)\ R22(9)R22(9)
7.044 (4)C3ΔR21(6)R22(9)R22(9)
7.665 (5)C2ΛR12(5)R21(6)R22(9)
5.821 (3)C2ΛR22(8)
5.892 (3)C2ΛR22(8)
[Co(gly)(ox)2]2- (Lappin et al., 1993)
5.686C3ΛR12(4)R21(6)R21(6)R22(8)d
5.750C3ΛR21(6)R22(8)R22(8)
6.664C2ΛR21(6)
7.688C2ΛR21(6)
[Co(en)(ox)2]- (Lappin et al., 1993)
6.139C3ΛR22(8)
6.145C3ΛR22(8)
7.527C2ΛR22(9)
7.564C2ΛR22(9)
7.229C3ΔR12(5)R21(6)R21(6)R22(9)
5.707C2ΔR22(8)e
6.227C2ΔR22(8)
7.806C2ΔR12(5)
Notes: (a) The cation is [Cr(en)3]3+; (b) the preference deduced from hydrogen bonding in the disorder model in the structure ΔΛ versus single hydrogen-bond for ΔΔ C3. (c) ΔΔ preferred C3 R12(5) ΔΛ. (d) bridging H2O R12(6)R12(8)R22(10)R22(10)R22(12), (e) bridge to H2O on C3 R22(10)R22(12)R22(12)R22(14)R22(14). Standard uncertainties for previously published structures cannot be obtained.
Hydrogen-bond geometry (Å, °) for [Co(en)3][Co(ox)3].5(H2O) top
O1W···O12.785 (8)
O1W···O2ii3.182 (10)
O1W···O3W3.019 (13)
O2W···O3Wiv2.806 (9)
O3W···O22.879 (16)
O3W···O5ii2.955 (12)
O3W···O1W3.019 (13)
O3W···O4W2.780 (17)
O4W···O4vi3.202 (14)
O4W···O3W2.780 (17)
O4W···O5W2.848 (16)
O5W···O92.801 (11)
O5W···O4W2.848 (16)
Symmetry codes: (i) x, y+1, z; (ii) -x+1, -y+1, -z; (iii) x-1, y+1, z; (iv) -x, -y+1, -z+1.
Crystal data and structure refinement parameters of 1 top
Empirical formula
Formula weight
Temperature (K)
Wavelength (Å)
Crystal system
Space group
a (Å)
b (Å) c (Å)
α (°)
β (°)
γ (°)
Volume (Å3)
Z, Z'
Density (calc.) (Mg m-3)
Measured 2θ range
Stepsize (°)
Measured data points
 

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