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The structure of the title compound, {[Co(C2H8N2)3]Cl3}2·-[Na(H2O)6]Cl, has been redetermined to a higher degree of accuracy. The true space group is shown to be trigonal P3, but the structure is extremely close to hexagonal P63. Both of the independent Λ-[Co(en)3]Cl3 moieties (en is ethyl­enedi­amine) and the [Na(H2O)6]Cl unit reside on sites of crystallographic threefold symmetry. The sodium and chloride ions share the same lattice positions and the whole [Na(H2O)6]Cl unit is disordered over two positions in an approximate ratio of 0.73:0.27.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270199013116/ka1333sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270199013116/ka1333Isup2.hkl
Contains datablock I

CCDC reference: 142723

Comment top

The complex cation [Co(en)3]3+ (en is ethylenediamine) has been of historic importance in the development of transition metal optical activity. The title complex, (I), was the first transition metal complex to have its absolute configuration determined by the anomalous scattering of X-rays (Saito et al., 1954, 1955). The same compound was the first transition metal complex to have its electronic CD spectrum measured in both the solid state and in solution (Mathieu, 1953; McCaffery & Mason, 1963), and as such has been the complex of choice for testing the various theories of transition metal CD in the visible region (Mason & Seal, 1976; Ernst & Royer, 1993). The measurement of natural CD has recently been extended to the X-ray region (Alagna et al., 1998) and the present redetermination was undertaken as a basis for ab initio and multiple scattering calculations of CD at the Co K-edge. [CD = ?]

The crystal structure of (I) was first determined by Shiro and co-workers (Nakatsu et al., 1957) from photographic data. On the basis of the observed 6/m Laue symmetry, the data were analysed in terms of a twinned structure in the hexagonal space group P63. However, these authors noted that the arrangement of the Na+ and Cl ions, and the two independent water molecules was only consistent with the lower symmetry trigonal space group P3. Despite their clear statement in the summary that `the space group is P3', the coordinates given in this paper, and those deposited in the Cambridge Structural Database (refcode SAETCO; Allen & Kennard, 1993) refer to the hexagonal space group.

A distinction between the two space groups in terms of systematic absences can only be made from the intensities of the set of 00 l reflections having l odd. These reflections are observed by us to be systematically weak, contributing ca 8.4% to the total 00 l intensities, but are definitely present as Bragg reflections (see Table 2). The reflections 003 and 006 were monitored at several different azimuthal angles. They were found to have normal profiles and were not subject to the Renninger effect. Moreover, in concurrence with the earlier study (Nakatsu et al., 1957), the 003 reflection was found to be the strongest of these. The presence of these reflections in both the photographic (Nakatsu et al., 1957) and diffractometric data precludes the possibility that they arise from scan overlap involving neighbouring strong reflections.

Although the Laue symmetry is very close to 6/m (Rint is 0.075 for 2473 observations of 629 independent data), the merging statistics are significantly better for the Laue symmetry 3 (Rint is 0.017 for 2218 observations of 915 independent data). Nevertheless, the overall crystal structure is very close to P63. The coordinates of the non-H atoms in cation 1 (x1, y1, z1) are all nearly related to those in cation 2 (x2, y2, z2) by the relationships x2 = 1/3 − x1, y2 = 2/3 − y1, z2 = 1/2 + z1, and all atoms are within 0.05 Å of the idealized P63 structure. The data may be satisfactorily refined in this space group (see supplementary material). Using the standard procedure of merging equivalent reflections (SHELXL instruction MERG2), a final R(F) value of 0.0409 is obtained for 80 parameters and 719 independent data, suggesting this refinement is superior. However, the merging process forces the higher symmetry on the data and is slightly misleading. It is more illuminating to compare the refinements in both space groups without any data merging (i.e. treating all data as independent observations). The corresponding final R(F) values are 0.0471 (space group P3, 130 parameters, 2484 data) and 0.0614 (space group P63, 80 parameters, 2478 data). This evidence, together with the Rint values, is strongly suggestive of the lower symmetry trigonal space group P3. Moreover, following the comment of Marsh (1995) that `it is a solid tenet of crystallography that even a single violation of an extinction condition should be taken as proof that the symmetry is not present', we find that the strongest evidence in favour of space group P3 over P63 lies in the observed intensities of the 00 l reflections for l odd (Table 2).

The asymmetric unit consists of two independent Δ-[Co(en)3]Cl3 moieties and an [Na(H2O)6]Cl unit, all of which reside on sites of crystallographic threefold symmetry. As expected, the two independent [Co(en)3]3+ cations have very similar geometry (see Table 1). The Co—N distances within each molecule are significantly different from each other but are similar in the two independent molecules. In excess of 55 structural determinations on the [Co(en)3]3+ cation are found in the Cambridge Structural Database and the observed geometry in the title complex is unremarkable and merits no further comment. Each cation is associated with a Cl ion which shows no unusually short contacts to other atoms.

The [Na(H2O)6]Cl unit effectively forms an infinite chain along the c axis (Fig. 1). A view of the unit-cell contents is shown in Fig. 2. The problem of the unusual coordination geometry for the Na+ and Cl ions which was discussed earlier (Nakatsu et al., 1957) has been resolved with the observation of four partially occupied O-atom positions. The disordered O-atom positions are separated by ca 1 Å, allowing for anisotropic refinement of the more populated positions. The Na+ and Cl ions occupy the same lattice positions in the structure and only the Na+ ions are labelled in Fig. 1. Thus, the position indicated by Na1A is actually occupied by a Na+ ion of occupancy 0.734 which is octahedrally coordinated by O atoms O1A and O2A at distances of 2.420 (12) and 2.488 (13) Å, respectively. This site is also occupied by a Cl ion (Cl3B) of occupancy 0.266, which is also coordinated octahedrally by the O1B and O2B atoms at distances of 3.19 (3) and 3.06 (3) Å, respectively. These latter Cl···O contact distances are suggestive of hydrogen bonding, but since the water H atoms could not be located directly, this conclusion is tentative. A similar situation pertains to the site labelled Na1B atom. In space group P63, there is only one independent Na/Cl lattice site and the Na+ and Cl ions are thus required to be statistically (i.e. 50:50) disordered. This is the only significant difference arising between the two refinements.

Experimental top

The Δ-enantiomer of the title complex was synthesized according to the method of Broomhead et al. (1960) and crystallized by evaporation from an aqueous solution.

Refinement top

A linear correction for crystal decomposition was applied. H atoms were placed in calculated positions (C—H = 0.96 Å) and refined with a riding model. The H atoms of the disordered water molecules could not be observed and were omitted from the model. Calulations were carried out using the WinGX package (Farrugia, 1999).

Computing details top

Data collection: CAD-4 EXPRESS (Enraf Nonius, 1992); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1996); program(s) used to solve structure: SIR92 (Altomare et al., 1993); 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 publication routines (Farrugia, 1999).

Figures top
[Figure 1] Fig. 1. An ORTEP-3 (Farrugia, 1997) view of a section of the infinite chain comprising the [Na(H2O)6]Cl unit (50% probability displacement ellipsoids). The Cl ions occupy the same lattice sites as the Na+ ions, but only the Na+ ions are labelled. [PLEASE PROVIDE THE SYMMETRY CODES]
[Figure 2] Fig. 2. Unit-cell packing diagram of (I) viewed along the c axis (50% probability displacement ellipsoids).
(I) top
Crystal data top
[Co(C2H8N2)3]2Cl6·NaCl·6H2ODx = 1.567 Mg m3
Mr = 857.72Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3Cell parameters from 25 reflections
Hall symbol: P 3θ = 11.6–22.5°
a = 11.415 (4) ŵ = 1.48 mm1
c = 8.0552 (8) ÅT = 293 K
V = 909.0 (5) Å3Approximate trapezoid cleaved from larger crystal, orange-brown
Z = 10.7 × 0.6 × 0.4 mm
F(000) = 448
Data collection top
Enraf Nonius Turbo CAD-4
diffractometer
Rint = 0.017
Graphite monochromatorθmax = 25.9°, θmin = 2.5°
non–profiled ω/2θ scansh = 1412
Absorption correction: ψ scan
(North et al., 1968)
k = 114
Tmin = 0.419, Tmax = 0.512l = 91
2484 measured reflections6 standard reflections every 118 reflections
1440 independent reflections intensity decay: 26%
1429 reflections with I > 2σ(I)
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.047 w = 1/[σ2(Fo2) + (0.062P)2 + 3.2274P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.144(Δ/σ)max = 0.002
S = 1.20Δρmax = 0.64 e Å3
1440 reflectionsΔρmin = 0.61 e Å3
130 parametersExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.040 (5)
Primary atom site location: structure-invariant direct methodsAbsolute structure: Flack (1983)
Secondary atom site location: difference Fourier mapAbsolute structure parameter: 0.07 (5)
Crystal data top
[Co(C2H8N2)3]2Cl6·NaCl·6H2OZ = 1
Mr = 857.72Mo Kα radiation
Trigonal, P3µ = 1.48 mm1
a = 11.415 (4) ÅT = 293 K
c = 8.0552 (8) Å0.7 × 0.6 × 0.4 mm
V = 909.0 (5) Å3
Data collection top
Enraf Nonius Turbo CAD-4
diffractometer
1429 reflections with I > 2σ(I)
Absorption correction: ψ scan
(North et al., 1968)
Rint = 0.017
Tmin = 0.419, Tmax = 0.5126 standard reflections every 118 reflections
2484 measured reflections intensity decay: 26%
1440 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.047H-atom parameters constrained
wR(F2) = 0.144Δρmax = 0.64 e Å3
S = 1.20Δρmin = 0.61 e Å3
1440 reflectionsAbsolute structure: Flack (1983)
130 parametersAbsolute structure parameter: 0.07 (5)
0 restraints
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*/UeqOcc. (<1)
Co10.00000.00000.00000.0218 (5)
Cl10.0510 (3)0.2329 (3)0.5216 (4)0.0345 (6)
C110.1076 (11)0.1688 (11)0.0846 (13)0.036 (2)
H11A0.18830.17150.11570.043*
H11B0.03020.24460.13660.043*
C120.0913 (11)0.1778 (10)0.1005 (12)0.033 (2)
H12A0.06820.26720.13950.040*
H12B0.17420.11140.15450.040*
N110.1187 (6)0.0394 (6)0.1406 (9)0.0261 (14)
H11C0.09350.04620.24760.031*
H11D0.20500.02810.13190.031*
N120.0208 (7)0.1496 (7)0.1353 (10)0.0319 (16)
H12C0.01980.12920.24340.038*
H12D0.10080.22380.11300.038*
Co20.33330.66670.5042 (3)0.0238 (5)
Cl20.2810 (3)0.4338 (3)0.0236 (4)0.0394 (7)
C210.4369 (12)0.4978 (11)0.4160 (12)0.037 (2)
H21A0.51540.49250.38080.045*
H21B0.35710.42370.36560.045*
C220.4245 (11)0.4890 (11)0.6063 (13)0.037 (2)
H22A0.40260.40000.64560.044*
H22B0.50750.55650.65890.044*
N210.4507 (7)0.6265 (7)0.3659 (10)0.0339 (16)
H21C0.42750.62270.25850.041*
H21D0.53740.69270.37740.041*
N220.3109 (8)0.5159 (8)0.6394 (10)0.0377 (17)
H22C0.31030.53540.74750.045*
H22D0.23140.44170.61530.045*
Na1A0.66670.33330.2632 (10)0.0451 (13)0.734 (16)
Na1B0.66670.33330.7626 (8)0.0490 (10)0.266 (16)
Cl3A0.66670.33330.7626 (8)0.0490 (10)0.734 (16)
Cl3B0.66670.33330.2632 (10)0.0451 (13)0.266 (16)
O1A0.7740 (12)0.2424 (13)0.4532 (17)0.054 (3)0.734 (16)
O1B0.777 (2)0.251 (2)0.581 (3)0.026 (6)*0.266 (16)
O2A0.8601 (12)0.4447 (12)0.0803 (14)0.047 (3)0.734 (16)
O2B0.863 (3)0.437 (3)0.031 (4)0.038 (7)*0.266 (16)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0212 (6)0.0212 (6)0.0230 (9)0.0106 (3)0.0000.000
Cl10.0421 (12)0.0338 (12)0.0230 (10)0.0155 (9)0.0010 (8)0.0016 (8)
C110.042 (5)0.040 (6)0.037 (5)0.029 (5)0.007 (4)0.006 (4)
C120.045 (5)0.031 (5)0.027 (4)0.022 (4)0.001 (4)0.005 (4)
N110.031 (3)0.029 (3)0.019 (3)0.015 (3)0.001 (3)0.001 (3)
N120.033 (3)0.028 (3)0.030 (4)0.013 (3)0.001 (3)0.004 (3)
Co20.0223 (6)0.0223 (6)0.0267 (10)0.0112 (3)0.0000.000
Cl20.0450 (12)0.0356 (13)0.0331 (12)0.0166 (10)0.0003 (9)0.0010 (9)
C210.051 (6)0.051 (6)0.028 (5)0.040 (5)0.002 (4)0.003 (4)
C220.042 (5)0.034 (5)0.043 (5)0.025 (4)0.002 (5)0.006 (4)
N210.035 (3)0.036 (3)0.029 (4)0.016 (3)0.001 (3)0.001 (3)
N220.041 (4)0.044 (4)0.029 (4)0.022 (3)0.000 (3)0.001 (3)
Na1A0.0456 (15)0.0456 (15)0.044 (3)0.0228 (7)0.0000.000
Na1B0.0556 (13)0.0556 (13)0.036 (2)0.0278 (7)0.0000.000
Cl3A0.0556 (13)0.0556 (13)0.036 (2)0.0278 (7)0.0000.000
Cl3B0.0456 (15)0.0456 (15)0.044 (3)0.0228 (7)0.0000.000
O1A0.051 (6)0.051 (7)0.058 (8)0.022 (5)0.001 (6)0.005 (6)
O2A0.058 (7)0.050 (6)0.024 (6)0.021 (5)0.004 (4)0.003 (4)
Geometric parameters (Å, º) top
Co1—N12i1.938 (7)Na1A—O2Av2.420 (12)
Co1—N121.938 (7)Na1A—O2A2.420 (12)
Co1—N12ii1.938 (7)Na1A—O2Avi2.420 (12)
Co1—N11i1.983 (7)Na1A—O1A2.488 (13)
Co1—N111.983 (7)Na1A—O1Avi2.488 (13)
Co1—N11ii1.983 (7)Na1A—O1Av2.488 (13)
C11—N111.487 (12)Na1A—Na1B4.023 (10)
C11—C121.499 (14)Na1A—Na1Bvii4.032 (10)
C12—N121.494 (12)Na1B—O1B2.41 (2)
Co2—N22iii1.942 (8)Na1B—O1Bv2.41 (2)
Co2—N22iv1.942 (8)Na1B—O1Bvi2.41 (2)
Co2—N221.942 (8)Na1B—O2Bviii2.55 (3)
Co2—N21iv1.965 (8)Na1B—O2Bix2.55 (3)
Co2—N21iii1.965 (8)Na1B—O2Bx2.55 (3)
Co2—N211.965 (8)Na1B—Na1Aviii4.032 (10)
C21—N211.454 (12)O1A—O1B1.03 (3)
C21—C221.538 (14)O2A—O2B0.90 (3)
C22—N221.498 (13)O2B—Na1Bvii2.55 (3)
N12i—Co1—N1291.5 (3)O2A—Na1A—O1Av178.2 (5)
N12i—Co1—N12ii91.5 (3)O2Avi—Na1A—O1Av92.3 (4)
N12—Co1—N12ii91.5 (3)O1A—Na1A—O1Av86.1 (5)
N12i—Co1—N11i85.3 (3)O1Avi—Na1A—O1Av86.1 (5)
N12—Co1—N11i174.6 (3)O2Av—Na1A—Na1B127.5 (3)
N12ii—Co1—N11i92.9 (3)O2A—Na1A—Na1B127.5 (3)
N12i—Co1—N1192.9 (3)O2Avi—Na1A—Na1B127.5 (3)
N12—Co1—N1185.3 (3)O1A—Na1A—Na1B52.0 (4)
N12ii—Co1—N11174.6 (3)O1Avi—Na1A—Na1B52.0 (4)
N11i—Co1—N1190.6 (3)O1Av—Na1A—Na1B52.0 (4)
N12i—Co1—N11ii174.6 (3)O2Av—Na1A—Na1Bvii52.5 (3)
N12—Co1—N11ii92.9 (3)O2A—Na1A—Na1Bvii52.5 (3)
N12ii—Co1—N11ii85.3 (3)O2Avi—Na1A—Na1Bvii52.5 (3)
N11i—Co1—N11ii90.6 (3)O1A—Na1A—Na1Bvii128.0 (4)
N11—Co1—N11ii90.6 (3)O1Avi—Na1A—Na1Bvii128.0 (4)
N11—C11—C12108.4 (8)O1Av—Na1A—Na1Bvii128.0 (4)
N12—C12—C11105.2 (8)Na1B—Na1A—Na1Bvii180.000 (1)
C11—N11—Co1108.9 (6)O1B—Na1B—O1Bv86.8 (8)
C12—N12—Co1110.1 (6)O1B—Na1B—O1Bvi86.8 (8)
N22iii—Co2—N22iv91.7 (3)O1Bv—Na1B—O1Bvi86.8 (8)
N22iii—Co2—N2291.7 (3)O1B—Na1B—O2Bviii94.0 (9)
N22iv—Co2—N2291.7 (3)O1Bv—Na1B—O2Bviii176.2 (10)
N22iii—Co2—N21iv92.5 (3)O1Bvi—Na1B—O2Bviii97.0 (9)
N22iv—Co2—N21iv85.1 (3)O1B—Na1B—O2Bix97.0 (9)
N22—Co2—N21iv174.8 (3)O1Bv—Na1B—O2Bix94.0 (9)
N22iii—Co2—N21iii85.1 (3)O1Bvi—Na1B—O2Bix176.2 (10)
N22iv—Co2—N21iii174.8 (3)O2Bviii—Na1B—O2Bix82.2 (11)
N22—Co2—N21iii92.5 (3)O1B—Na1B—O2Bx176.2 (10)
N21iv—Co2—N21iii91.0 (3)O1Bv—Na1B—O2Bx97.0 (9)
N22iii—Co2—N21174.8 (3)O1Bvi—Na1B—O2Bx94.0 (9)
N22iv—Co2—N2192.5 (3)O2Bviii—Na1B—O2Bx82.2 (11)
N22—Co2—N2185.1 (3)O2Bix—Na1B—O2Bx82.2 (11)
N21iv—Co2—N2191.0 (3)O1B—Na1B—Na1A52.5 (6)
N21iii—Co2—N2191.0 (3)O1Bv—Na1B—Na1A52.5 (6)
N21—C21—C22107.6 (8)O1Bvi—Na1B—Na1A52.5 (6)
N22—C22—C21103.0 (8)O2Bviii—Na1B—Na1A130.6 (7)
C21—N21—Co2109.6 (6)O2Bix—Na1B—Na1A130.6 (7)
C22—N22—Co2109.8 (6)O2Bx—Na1B—Na1A130.6 (7)
O2Av—Na1A—O2A86.8 (4)O1B—Na1B—Na1Aviii127.5 (6)
O2Av—Na1A—O2Avi86.8 (4)O1Bv—Na1B—Na1Aviii127.5 (6)
O2A—Na1A—O2Avi86.8 (4)O1Bvi—Na1B—Na1Aviii127.5 (6)
O2Av—Na1A—O1A92.3 (4)O2Bviii—Na1B—Na1Aviii49.4 (7)
O2A—Na1A—O1A94.8 (4)O2Bix—Na1B—Na1Aviii49.4 (7)
O2Avi—Na1A—O1A178.2 (5)O2Bx—Na1B—Na1Aviii49.4 (7)
O2Av—Na1A—O1Avi178.2 (5)Na1A—Na1B—Na1Aviii180.000 (2)
O2A—Na1A—O1Avi92.3 (4)O1B—O1A—Na1A124.9 (16)
O2Avi—Na1A—O1Avi94.8 (4)O1A—O1B—Na1B130.2 (18)
O1A—Na1A—O1Avi86.1 (5)O2B—O2A—Na1A128 (2)
O2Av—Na1A—O1Av94.8 (4)O2A—O2B—Na1Bvii129 (2)
Symmetry codes: (i) y, xy, z; (ii) x+y, x, z; (iii) x+y, x+1, z; (iv) y+1, xy+1, z; (v) x+y+1, x+1, z; (vi) y+1, xy, z; (vii) x, y, z1; (viii) x, y, z+1; (ix) x+y+1, x+1, z+1; (x) y+1, xy, z+1.

Experimental details

Crystal data
Chemical formula[Co(C2H8N2)3]2Cl6·NaCl·6H2O
Mr857.72
Crystal system, space groupTrigonal, P3
Temperature (K)293
a, c (Å)11.415 (4), 8.0552 (8)
V3)909.0 (5)
Z1
Radiation typeMo Kα
µ (mm1)1.48
Crystal size (mm)0.7 × 0.6 × 0.4
Data collection
DiffractometerEnraf Nonius Turbo CAD-4
diffractometer
Absorption correctionψ scan
(North et al., 1968)
Tmin, Tmax0.419, 0.512
No. of measured, independent and
observed [I > 2σ(I)] reflections
2484, 1440, 1429
Rint0.017
(sin θ/λ)max1)0.614
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.047, 0.144, 1.20
No. of reflections1440
No. of parameters130
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.64, 0.61
Absolute structureFlack (1983)
Absolute structure parameter0.07 (5)

Computer programs: CAD-4 EXPRESS (Enraf Nonius, 1992), CAD-4 EXPRESS, XCAD4 (Harms & Wocadlo, 1996), SIR92 (Altomare et al., 1993), SHELXL97 (Sheldrick, 1997), ORTEP-3 for Windows (Farrugia, 1997), WinGX publication routines (Farrugia, 1999).

Selected geometric parameters (Å, º) top
Co1—N121.938 (7)C22—N221.498 (13)
Co1—N111.983 (7)Na1A—O2A2.420 (12)
C11—N111.487 (12)Na1A—O1A2.488 (13)
C11—C121.499 (14)Na1A—Na1B4.023 (10)
C12—N121.494 (12)Na1B—O1B2.41 (2)
Co2—N221.942 (8)Na1B—O2Bi2.55 (3)
Co2—N211.965 (8)O1A—O1B1.03 (3)
C21—N211.454 (12)O2A—O2B0.90 (3)
C21—C221.538 (14)
N12ii—Co1—N1291.5 (3)N22iv—Co2—N2291.7 (3)
N12ii—Co1—N1192.9 (3)N22iv—Co2—N2192.5 (3)
N12—Co1—N1185.3 (3)N22—Co2—N2185.1 (3)
N12—Co1—N11iii92.9 (3)N21iv—Co2—N2191.0 (3)
Symmetry codes: (i) x, y, z+1; (ii) y, xy, z; (iii) x+y, x, z; (iv) y+1, xy+1, z.
Observed and calculated intensities for the 00 l reflections. top
lF2(calc)F2(obs)σ
-972.76177.303.57
-82097.262106.8814.15
-732.5921.101.42
-61078.481091.358.24
-558.99111.371.73
-41847.871652.237.03
-3370.181176.734.99
-218204.9619443.5674.78
-118.8444.080.56
118.7850.400.59
 

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