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The asymmetric unit of the title compound, [Co(C2H8N2)3][Bi2I9], crystallizes in the ortho­rhom­bic space group Cmc21. The asymmetric unit contains half of a [Co(en)3]3+ cation (en is ethyl­enediamine) and half of a [Bi2I9]3- anion. Both species are located on mirror planes, requiring the [Co(en)3]3+ cation to be present as a statistically disordered mixture of both enantiomeric forms. Crystals were grown solvothermally from an ethanol-water solvent mixture using rac-[Co(en)3]I3 and bis­muth triiodide as starting materials. The compound is a rare example of a mixed-metal halobismuthate material.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805021501/sj6094sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805021501/sj6094Isup2.hkl
Contains datablock I

CCDC reference: 282627

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.030 Å
  • Disorder in main residue
  • R factor = 0.030
  • wR factor = 0.071
  • Data-to-parameter ratio = 31.5

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) ....... 2 PLAT301_ALERT_3_B Main Residue Disorder ......................... 28.00 Perc. PLAT342_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ... 30
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.206 0.423 Tmin and Tmax expected: 0.140 0.423 RR = 1.466 Please check that your absorption correction is appropriate. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.49 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 24
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 26.39 From the CIF: _reflns_number_total 3216 Count of symmetry unique reflns 1680 Completeness (_total/calc) 191.43% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1536 Fraction of Friedel pairs measured 0.914 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; 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.

Tris(ethylenediamine)cobalt(III) nonaiododibismuthate top
Crystal data top
[Co(C2H8N2)3][Bi2I9]F(000) = 3088
Mr = 1799.30Dx = 3.983 Mg m3
Orthorhombic, Cmc21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: C 2c -2Cell parameters from 8193 reflections
a = 12.5267 (6) Åθ = 2.4–26.4°
b = 17.2768 (8) ŵ = 21.51 mm1
c = 13.8644 (7) ÅT = 150 K
V = 3000.6 (3) Å3Plate, red
Z = 40.14 × 0.08 × 0.04 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
3216 independent reflections
Radiation source: fine-focus sealed tube3129 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.040
ω scansθmax = 26.4°, θmin = 2.0°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
h = 1515
Tmin = 0.206, Tmax = 0.423k = 1821
12584 measured reflectionsl = 1717
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.030H-atom parameters constrained
wR(F2) = 0.071 w = 1/[σ2(Fo2) + (0.0365P)2 + 28.8217P]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max < 0.001
3216 reflectionsΔρmax = 1.76 e Å3
102 parametersΔρmin = 1.36 e Å3
2 restraintsAbsolute structure: Flack (1983), with 1535 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.021 (5)
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)
Bi10.00000.19851 (3)0.59612 (4)0.02207 (12)
Bi20.00000.42035 (3)0.73819 (4)0.02305 (13)
I10.17151 (6)0.13198 (5)0.48033 (6)0.03381 (18)
I20.00000.05438 (6)0.74560 (7)0.0281 (2)
I30.00000.35225 (6)0.49690 (7)0.0258 (2)
I40.17847 (5)0.27647 (4)0.73561 (6)0.03008 (16)
I50.00000.41606 (6)0.94793 (7)0.0289 (2)
I60.17192 (6)0.53053 (5)0.72342 (6)0.03892 (19)
Co10.00000.16198 (12)0.06611 (13)0.0204 (4)
N1A0.1245 (12)0.2170 (9)0.0189 (11)0.019 (3)*0.50
H1AA0.16420.23410.06870.023*0.50
H1AB0.10440.25800.01690.023*0.50
N2A0.0708 (13)0.0678 (10)0.0222 (12)0.024 (4)*0.50
H2AA0.04250.05180.03400.029*0.50
H2AB0.06270.03000.06620.029*0.50
C1A0.1882 (10)0.1610 (7)0.0417 (8)0.036 (3)*0.50
H1A10.15560.15550.10640.043*0.50
H1A20.26240.17970.04960.043*0.50
C2A0.1870 (10)0.0862 (7)0.0096 (9)0.036 (3)*0.50
H2A10.22310.09060.07280.043*0.50
H2A20.22300.04560.02890.043*0.50
N1B0.0759 (14)0.1801 (11)0.0555 (13)0.027 (4)*0.50
H1BA0.06930.23000.07290.032*0.50
H1BB0.04790.15040.10250.032*0.50
N2B0.1311 (13)0.0987 (10)0.0994 (13)0.025 (4)*0.50
H2BA0.11220.05340.12630.030*0.50
H2BB0.17280.12480.14110.030*0.50
C1B0.1882 (10)0.1610 (7)0.0417 (8)0.036 (3)*0.50
H1B10.22440.20120.00270.043*0.50
H1B20.22520.15620.10450.043*0.50
C2B0.1870 (10)0.0862 (7)0.0096 (9)0.036 (3)*0.50
H2B10.14980.04650.02950.043*0.50
H2B20.26080.06830.02210.043*0.50
N3A0.0666 (13)0.2576 (10)0.1162 (12)0.024 (4)*0.50
H3AC0.06260.29640.07310.028*0.50
H3AD0.13540.24980.13190.028*0.50
N4A0.0578 (15)0.1440 (11)0.1930 (12)0.028 (4)*0.50
H4AC0.04690.09470.21150.034*0.50
H4AD0.12840.15360.19390.034*0.50
C3A0.00000.2772 (12)0.2089 (14)0.045 (4)*
H3AA0.07120.29260.19190.054*0.50
H3AB0.03250.31740.24660.054*0.50
C4A0.00000.2012 (12)0.2625 (14)0.043 (4)*
H4AA0.07160.18360.27420.052*0.50
H4AB0.03670.20580.32300.052*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Bi10.0218 (2)0.0233 (3)0.0211 (2)0.0000.0000.0004 (2)
Bi20.0199 (2)0.0283 (3)0.0210 (3)0.0000.0000.0009 (2)
I10.0349 (4)0.0352 (4)0.0314 (4)0.0114 (3)0.0086 (3)0.0022 (3)
I20.0340 (5)0.0240 (5)0.0263 (5)0.0000.0000.0015 (4)
I30.0269 (4)0.0245 (5)0.0259 (5)0.0000.0000.0043 (4)
I40.0234 (3)0.0369 (4)0.0300 (3)0.0002 (3)0.0034 (3)0.0019 (3)
I50.0377 (5)0.0269 (5)0.0220 (5)0.0000.0000.0012 (4)
I60.0320 (3)0.0409 (4)0.0438 (4)0.0113 (3)0.0064 (3)0.0010 (4)
Co10.0235 (9)0.0189 (10)0.0187 (9)0.0000.0000.0056 (7)
Geometric parameters (Å, º) top
Bi1—I12.9179 (8)N2A—N2Ai1.77 (3)
Bi1—I1i2.9179 (8)N2A—H2AA0.8999
Bi1—I32.9912 (11)N2A—H2AB0.9001
Bi1—I23.2398 (12)C1A—C2A1.475 (17)
Bi1—I43.2486 (8)C1A—H1A10.9900
Bi1—I4i3.2486 (8)C1A—H1A20.9900
Bi2—I62.8815 (8)C2A—H2A10.9900
Bi2—I6i2.8815 (8)C2A—H2A20.9900
Bi2—I52.9088 (10)N1B—H1BA0.8999
Bi2—I43.3435 (8)N1B—H1BB0.9000
Bi2—I4i3.3435 (8)N2B—H2BA0.9000
Bi2—I33.5462 (11)N2B—H2BB0.9000
Co1—N4Ai1.928 (17)N3A—C3A1.57 (2)
Co1—N4A1.928 (17)N3A—N3Ai1.67 (3)
Co1—N1A1.940 (16)N3A—H3AC0.9000
Co1—N1Ai1.940 (16)N3A—H3AD0.9000
Co1—N2Ai1.950 (18)N4A—N4Ai1.45 (4)
Co1—N2A1.950 (18)N4A—C4A1.56 (2)
Co1—N1B1.961 (17)N4A—H4AC0.9000
Co1—N1Bi1.961 (17)N4A—H4AD0.9000
Co1—N3Ai1.976 (17)C3A—C4A1.51 (3)
Co1—N3A1.976 (17)C3A—N3Ai1.57 (2)
Co1—N2B2.026 (17)C3A—H3AA0.9599
Co1—N2Bi2.026 (17)C3A—H3AB0.9601
N1A—C1A1.510 (14)C4A—N4Ai1.56 (2)
N1A—H1AA0.9001C4A—H4AA0.9600
N1A—H1AB0.9001C4A—H4AB0.9601
N2A—C2A1.50 (2)
I1—Bi1—I1i94.83 (4)N2Ai—Co1—N2Bi41.6 (7)
I1—Bi1—I395.56 (2)N2A—Co1—N2Bi89.4 (7)
I1i—Bi1—I395.56 (2)N1B—Co1—N2Bi132.5 (7)
I1—Bi1—I292.82 (2)N1Bi—Co1—N2Bi83.6 (7)
I1i—Bi1—I292.82 (2)N3Ai—Co1—N2Bi91.6 (7)
I3—Bi1—I2167.61 (3)N3A—Co1—N2Bi135.4 (7)
I1—Bi1—I489.09 (2)N2B—Co1—N2Bi108.3 (10)
I1i—Bi1—I4176.04 (2)C1A—N1A—Co1107.4 (10)
I3—Bi1—I484.58 (2)C1A—N1A—H1AA110.2
I2—Bi1—I486.44 (2)Co1—N1A—H1AA110.3
I1—Bi1—I4i176.04 (2)C1A—N1A—H1AB110.2
I1i—Bi1—I4i89.09 (2)Co1—N1A—H1AB110.3
I3—Bi1—I4i84.58 (2)H1AA—N1A—H1AB108.6
I2—Bi1—I4i86.43 (2)C1A—N1A—H1BA82.2
I4—Bi1—I4i86.98 (3)Co1—N1A—H1BA89.4
I6—Bi2—I6i96.73 (4)H1AA—N1A—H1BA151.1
I6—Bi2—I595.04 (3)C2A—N2A—N2Ai166.0 (8)
I6i—Bi2—I595.04 (3)C2A—N2A—Co1107.6 (11)
I6—Bi2—I489.46 (2)N2Ai—N2A—Co162.9 (5)
I6i—Bi2—I4171.94 (3)C2A—N2A—H2AA110.2
I5—Bi2—I489.53 (2)N2Ai—N2A—H2AA66.8
I6—Bi2—I4i171.94 (3)Co1—N2A—H2AA110.4
I6i—Bi2—I4i89.46 (2)C2A—N2A—H2AB110.0
I5—Bi2—I4i89.52 (2)N2Ai—N2A—H2AB83.6
I4—Bi2—I4i83.93 (3)Co1—N2A—H2AB110.1
I6—Bi2—I398.75 (2)H2AA—N2A—H2AB108.6
I6i—Bi2—I398.75 (2)C2A—C1A—N1A106.7 (11)
I5—Bi2—I3159.16 (3)C2A—C1A—H1A1110.4
I4—Bi2—I375.12 (2)N1A—C1A—H1A1110.4
I4i—Bi2—I375.12 (2)C2A—C1A—H1A2110.4
Bi1—I3—Bi282.00 (3)N1A—C1A—H1A2110.4
Bi1—I4—Bi281.631 (19)H1A1—C1A—H1A2108.6
N4Ai—Co1—N4A44.1 (11)C1A—C2A—N2A104.6 (12)
N4Ai—Co1—N1A94.9 (7)C1A—C2A—H2A1110.8
N4A—Co1—N1A133.5 (7)N2A—C2A—H2A1110.8
N4Ai—Co1—N1Ai133.5 (7)C1A—C2A—H2A2110.8
N4A—Co1—N1Ai94.9 (7)N2A—C2A—H2A2110.8
N1A—Co1—N1Ai107.0 (9)H2A1—C2A—H2A2108.9
N4Ai—Co1—N2Ai108.7 (8)Co1—N1B—H1AB87.2
N4A—Co1—N2Ai88.8 (7)Co1—N1B—H1BA109.8
N1A—Co1—N2Ai132.0 (7)Co1—N1B—H1BB110.0
N1Ai—Co1—N2Ai86.4 (7)H1AB—N1B—H1BB150.1
N4Ai—Co1—N2A88.8 (7)H1BA—N1B—H1BB108.4
N4A—Co1—N2A108.7 (8)Co1—N2B—H2BA110.6
N1A—Co1—N2A86.4 (7)Co1—N2B—H2BB110.3
N1Ai—Co1—N2A132.0 (7)H2BA—N2B—H2BB108.7
N2Ai—Co1—N2A54.1 (10)C3A—N3A—N3Ai57.9 (7)
N4Ai—Co1—N1B128.9 (7)C3A—N3A—Co1104.1 (11)
N4A—Co1—N1B173.1 (8)N3Ai—N3A—Co165.1 (5)
N1A—Co1—N1B40.7 (7)C3A—N3A—H1AA152.0
N1Ai—Co1—N1B91.2 (7)N3Ai—N3A—H1AA147.7
N2Ai—Co1—N1B94.9 (7)Co1—N3A—H1AA87.8
N2A—Co1—N1B69.2 (7)C3A—N3A—H3AC110.7
N4Ai—Co1—N1Bi173.1 (8)N3Ai—N3A—H3AC86.8
N4A—Co1—N1Bi128.9 (7)Co1—N3A—H3AC111.5
N1A—Co1—N1Bi91.2 (7)H1AA—N3A—H3AC87.3
N1Ai—Co1—N1Bi40.7 (7)C3A—N3A—H3AD110.1
N2Ai—Co1—N1Bi69.2 (7)N3Ai—N3A—H3AD163.5
N2A—Co1—N1Bi94.9 (8)Co1—N3A—H3AD111.3
N1B—Co1—N1Bi58.0 (10)H3AC—N3A—H3AD109.0
N4Ai—Co1—N3Ai88.4 (8)N4Ai—N4A—C4A62.3 (8)
N4A—Co1—N3Ai69.8 (8)N4Ai—N4A—Co167.9 (5)
N1A—Co1—N3Ai92.7 (6)C4A—N4A—Co1106.7 (12)
N1Ai—Co1—N3Ai50.9 (6)N4Ai—N4A—H4AC81.3
N2Ai—Co1—N3Ai128.0 (7)C4A—N4A—H4AC110.7
N2A—Co1—N3Ai177.1 (7)Co1—N4A—H4AC110.9
N1B—Co1—N3Ai111.9 (8)N4Ai—N4A—H4AD169.4
N1Bi—Co1—N3Ai88.0 (7)C4A—N4A—H4AD109.4
N4Ai—Co1—N3A69.8 (8)Co1—N4A—H4AD110.6
N4A—Co1—N3A88.4 (8)H4AC—N4A—H4AD108.6
N1A—Co1—N3A50.9 (6)C4A—C3A—N3A102.4 (14)
N1Ai—Co1—N3A92.7 (6)C4A—C3A—N3Ai102.4 (14)
N2Ai—Co1—N3A177.1 (7)N3A—C3A—N3Ai64.2 (14)
N2A—Co1—N3A128.0 (7)C4A—C3A—H3AA111.2
N1B—Co1—N3A88.0 (7)N3A—C3A—H3AA110.7
N1Bi—Co1—N3A111.9 (8)N3Ai—C3A—H3AA50.6
N3Ai—Co1—N3A49.9 (10)C4A—C3A—H3AB111.2
N4Ai—Co1—N2B53.2 (7)N3A—C3A—H3AB112.1
N4A—Co1—N2B90.6 (8)N3Ai—C3A—H3AB145.9
N1A—Co1—N2B71.9 (7)H3AA—C3A—H3AB109.1
N1Ai—Co1—N2B173.1 (7)C3A—C4A—N4Ai104.3 (14)
N2Ai—Co1—N2B89.4 (7)C3A—C4A—N4A104.3 (14)
N2A—Co1—N2B41.6 (7)N4Ai—C4A—N4A55.4 (15)
N1B—Co1—N2B83.6 (7)C3A—C4A—H4AA111.0
N1Bi—Co1—N2B132.5 (7)N4Ai—C4A—H4AA58.1
N3Ai—Co1—N2B135.4 (7)N4A—C4A—H4AA109.8
N3A—Co1—N2B91.6 (7)C3A—C4A—H4AB111.0
N4Ai—Co1—N2Bi90.6 (8)N4Ai—C4A—H4AB144.6
N4A—Co1—N2Bi53.2 (7)N4A—C4A—H4AB111.7
N1A—Co1—N2Bi173.1 (7)H4AA—C4A—H4AB109.0
N1Ai—Co1—N2Bi71.9 (7)
I1—Bi1—I3—Bi2132.288 (18)Co1—N2A—C2A—C1A45.1 (13)
I1i—Bi1—I3—Bi2132.288 (18)N4Ai—Co1—N3A—C3A61.9 (11)
I2—Bi1—I3—Bi20.0N4A—Co1—N3A—C3A20.9 (11)
I4—Bi1—I3—Bi243.733 (15)N1A—Co1—N3A—C3A176.4 (14)
I4i—Bi1—I3—Bi243.733 (15)N1Ai—Co1—N3A—C3A73.9 (11)
I6—Bi2—I3—Bi1130.87 (2)N2A—Co1—N3A—C3A133.6 (11)
I6i—Bi2—I3—Bi1130.87 (2)N1B—Co1—N3A—C3A165.0 (11)
I5—Bi2—I3—Bi10.0N1Bi—Co1—N3A—C3A110.9 (11)
I4—Bi2—I3—Bi143.778 (14)N3Ai—Co1—N3A—C3A43.8 (11)
I4i—Bi2—I3—Bi143.777 (14)N2B—Co1—N3A—C3A111.4 (11)
I1—Bi1—I4—Bi2142.88 (2)N2Bi—Co1—N3A—C3A7.1 (16)
I3—Bi1—I4—Bi247.21 (2)N4Ai—Co1—N3A—N3Ai105.7 (6)
I2—Bi1—I4—Bi2124.24 (2)N4A—Co1—N3A—N3Ai64.7 (6)
I4i—Bi1—I4—Bi237.63 (3)N1A—Co1—N3A—N3Ai139.8 (7)
I6—Bi2—I4—Bi1138.82 (3)N1Ai—Co1—N3A—N3Ai30.1 (5)
I5—Bi2—I4—Bi1126.13 (2)N2A—Co1—N3A—N3Ai177.4 (9)
I4i—Bi2—I4—Bi136.56 (3)N1B—Co1—N3A—N3Ai121.2 (6)
I3—Bi2—I4—Bi139.616 (17)N1Bi—Co1—N3A—N3Ai67.1 (6)
N4Ai—Co1—N1A—C1A101.0 (11)N2B—Co1—N3A—N3Ai155.2 (6)
N4A—Co1—N1A—C1A125.1 (11)N2Bi—Co1—N3A—N3Ai36.7 (8)
N1Ai—Co1—N1A—C1A120.5 (8)N1A—Co1—N4A—N4Ai35.8 (7)
N2Ai—Co1—N1A—C1A19.7 (15)N1Ai—Co1—N4A—N4Ai154.8 (5)
N2A—Co1—N1A—C1A12.5 (10)N2Ai—Co1—N4A—N4Ai118.9 (5)
N1B—Co1—N1A—C1A49.2 (11)N2A—Co1—N4A—N4Ai67.6 (6)
N1Bi—Co1—N1A—C1A82.3 (11)N1Bi—Co1—N4A—N4Ai179.4 (10)
N3Ai—Co1—N1A—C1A170.4 (10)N3Ai—Co1—N4A—N4Ai109.6 (6)
N3A—Co1—N1A—C1A160.0 (14)N3A—Co1—N4A—N4Ai62.2 (5)
N2B—Co1—N1A—C1A52.3 (10)N2B—Co1—N4A—N4Ai29.4 (5)
N4Ai—Co1—N2A—C2A76.8 (12)N2Bi—Co1—N4A—N4Ai142.1 (7)
N4A—Co1—N2A—C2A116.9 (11)N4Ai—Co1—N4A—C4A49.8 (12)
N1A—Co1—N2A—C2A18.1 (11)N1A—Co1—N4A—C4A14.0 (17)
N1Ai—Co1—N2A—C2A127.9 (11)N1Ai—Co1—N4A—C4A105.0 (11)
N2Ai—Co1—N2A—C2A168.9 (8)N2Ai—Co1—N4A—C4A168.7 (12)
N1B—Co1—N2A—C2A56.1 (11)N2A—Co1—N4A—C4A117.4 (11)
N1Bi—Co1—N2A—C2A109.1 (11)N1Bi—Co1—N4A—C4A129.6 (11)
N3A—Co1—N2A—C2A13.7 (15)N3Ai—Co1—N4A—C4A59.8 (11)
N2B—Co1—N2A—C2A48.4 (11)N3A—Co1—N4A—C4A12.4 (12)
N2Bi—Co1—N2A—C2A167.4 (11)N2B—Co1—N4A—C4A79.2 (12)
N4Ai—Co1—N2A—N2Ai114.3 (6)N2Bi—Co1—N4A—C4A168.1 (16)
N4A—Co1—N2A—N2Ai74.2 (6)N3Ai—N3A—C3A—C4A97.9 (10)
N1A—Co1—N2A—N2Ai150.8 (5)Co1—N3A—C3A—C4A50.1 (10)
N1Ai—Co1—N2A—N2Ai41.0 (7)Co1—N3A—C3A—N3Ai47.8 (11)
N1B—Co1—N2A—N2Ai112.8 (6)N3A—C3A—C4A—N4Ai4.3 (12)
N1Bi—Co1—N2A—N2Ai59.8 (6)N3Ai—C3A—C4A—N4Ai61.6 (11)
N3A—Co1—N2A—N2Ai177.4 (9)N3A—C3A—C4A—N4A61.6 (11)
N2B—Co1—N2A—N2Ai142.7 (8)N3Ai—C3A—C4A—N4A4.3 (12)
N2Bi—Co1—N2A—N2Ai23.7 (6)N4Ai—N4A—C4A—C3A97.7 (9)
Co1—N1A—C1A—C2A41.4 (12)Co1—N4A—C4A—C3A44.6 (11)
N1A—C1A—C2A—N2A56.3 (14)Co1—N4A—C4A—N4Ai53.1 (12)
Symmetry code: (i) x, y, z.
 

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