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The title compound, [Bi(C5H9OS2)2(C12H8N2)], is monomeric, with the Bi atom chelated by the S atoms of three anionic O-isobutyl dithio­carbonate ligands and the N atoms of 1,10-phenanthroline. The central Bi atom is eight-coordinate in a capped distorted penta­gonal bipyramidal geometry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806048732/sj2170sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806048732/sj2170Isup2.hkl
Contains datablock I

CCDC reference: 289534

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.015 Å
  • Disorder in main residue
  • R factor = 0.045
  • wR factor = 0.119
  • Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.74 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.59 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for S6 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Bi1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C8 PLAT301_ALERT_3_C Main Residue Disorder ......................... 13.00 Perc. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 15 PLAT412_ALERT_2_C Short Intra XH3 .. XHn H5A .. H4B .. 1.84 Ang. PLAT412_ALERT_2_C Short Intra XH3 .. XHn H5C .. H4C .. 1.86 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 33.00 A   3 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 3
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.742 Tmax scaled 0.251 Tmin scaled 0.243
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 1 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 3 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2000); software used to prepare material for publication: SHELXTL.

Tris(O-isobutyl dithiocarbonato-κ2S,S')(1,10-phenanthroline)bismuth(III) top
Crystal data top
[Bi(C5H9OS2)2(C12H8N2)]F(000) = 3312
Mr = 836.91Dx = 1.617 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 4023 reflections
a = 17.366 (3) Åθ = 2.2–22.4°
b = 13.130 (3) ŵ = 5.52 mm1
c = 30.986 (7) ÅT = 298 K
β = 103.367 (6)°Block, orange–red
V = 6874 (3) Å30.26 × 0.26 × 0.25 mm
Z = 8
Data collection top
Siemens SMART CCD area-detector
diffractometer
6050 independent reflections
Radiation source: fine-focus sealed tube4260 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.061
φ and ω scansθmax = 25.0°, θmin = 2.0°
Absorption correction: multi-scan
(SADABS; Bruker, 2000)
h = 1420
Tmin = 0.328, Tmax = 0.339k = 1515
17747 measured reflectionsl = 3636
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)] = 0.045Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.119H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0463P)2 + 31.3228P]
where P = (Fo2 + 2Fc2)/3
6050 reflections(Δ/σ)max = 0.001
396 parametersΔρmax = 0.87 e Å3
749 restraintsΔρmin = 1.38 e Å3
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)
Bi10.20608 (2)0.48617 (2)0.167583 (11)0.04082 (14)
N10.0820 (4)0.6071 (5)0.1836 (2)0.0468 (19)
N20.0723 (4)0.3988 (6)0.1856 (2)0.0487 (19)
O10.3663 (5)0.6688 (6)0.1005 (3)0.094 (2)
O20.3408 (4)0.4506 (5)0.3118 (2)0.0598 (16)
O30.1502 (5)0.2843 (6)0.0464 (2)0.098 (2)
S10.34334 (17)0.50719 (19)0.14035 (10)0.0654 (8)
S20.23612 (19)0.6865 (2)0.12893 (11)0.0729 (8)
S30.28013 (16)0.36485 (17)0.23861 (8)0.0529 (6)
S40.29707 (16)0.59039 (17)0.24895 (8)0.0542 (7)
S50.21376 (18)0.29648 (19)0.12809 (9)0.0607 (7)
S60.1236 (2)0.4658 (3)0.07649 (10)0.0953 (11)
C10.3163 (8)0.6260 (8)0.1215 (4)0.083 (3)
C20.3487 (9)0.7728 (9)0.0829 (4)0.105 (3)
H2A0.36020.82200.10690.126*
H2B0.29320.77860.06810.126*
C30.3990 (9)0.7922 (10)0.0512 (5)0.113 (2)0.21 (3)
H30.45520.77580.06220.135*0.21 (3)
C40.365 (3)0.765 (2)0.0033 (7)0.115 (6)0.21 (3)
H4A0.37230.69410.00110.173*0.21 (3)
H4B0.39070.80440.01530.173*0.21 (3)
H4C0.30910.78060.00400.173*0.21 (3)
C3'0.3990 (9)0.7922 (10)0.0512 (5)0.113 (2)0.79 (3)
H3'0.45400.79020.06840.135*0.79 (3)
C4'0.3923 (13)0.7138 (14)0.0156 (6)0.124 (5)0.79 (3)
H4'10.34040.68390.00960.186*0.79 (3)
H4'20.43130.66180.02510.186*0.79 (3)
H4'30.40070.74530.01090.186*0.79 (3)
C50.3817 (9)0.9009 (10)0.0378 (5)0.127 (3)
H5A0.41380.92110.01790.191*
H5B0.39340.94350.06370.191*
H5C0.32680.90770.02320.191*
C60.3079 (6)0.4716 (7)0.2692 (3)0.049 (2)
C70.3747 (7)0.5298 (8)0.3422 (3)0.067 (2)
H7A0.33780.58610.34010.081*
H7B0.42290.55500.33520.081*
C80.3929 (7)0.4857 (8)0.3888 (3)0.072 (2)
H80.41670.41820.38830.087*
C90.3159 (9)0.4747 (10)0.4027 (4)0.103 (4)
H9A0.28130.43060.38230.154*
H9B0.29170.54030.40270.154*
H9C0.32570.44600.43200.154*
C100.4482 (8)0.5511 (10)0.4195 (4)0.106 (4)
H10A0.46020.52090.44850.159*
H10B0.42470.61680.42090.159*
H10C0.49610.55850.40930.159*
C110.1600 (8)0.3479 (10)0.0808 (4)0.091 (3)
C120.1127 (9)0.3196 (10)0.0031 (4)0.107 (2)0.442 (14)
H12A0.12790.38980.00020.128*0.442 (14)
H12B0.05570.31770.00050.128*0.442 (14)
C130.1355 (19)0.2547 (17)0.0328 (7)0.104 (3)0.442 (14)
H130.19340.25400.02740.125*0.442 (14)
C140.107 (2)0.1444 (14)0.0290 (9)0.115 (5)0.442 (14)
H14A0.08000.12040.05770.173*0.442 (14)
H14B0.07200.14250.00920.173*0.442 (14)
H14C0.15210.10150.01760.173*0.442 (14)
C150.103 (2)0.299 (2)0.0786 (6)0.114 (5)0.442 (14)
H15A0.10230.24690.10050.171*0.442 (14)
H15B0.13540.35440.08360.171*0.442 (14)
H15C0.04970.32250.08070.171*0.442 (14)
C12'0.1127 (9)0.3196 (10)0.0031 (4)0.107 (2)0.558 (14)
H12C0.14940.36150.00840.128*0.558 (14)
H12D0.06740.36140.00480.128*0.558 (14)
C13'0.0851 (18)0.229 (2)0.0289 (8)0.106 (3)0.558 (14)
H13'0.04800.18830.01640.127*0.558 (14)
C14'0.1598 (17)0.163 (2)0.0264 (8)0.116 (5)0.558 (14)
H14D0.14800.10930.04820.173*0.558 (14)
H14E0.17600.13300.00260.173*0.558 (14)
H14F0.20170.20430.03210.173*0.558 (14)
C15'0.0449 (17)0.261 (2)0.0701 (8)0.118 (5)0.558 (14)
H15D0.04960.33370.07200.176*0.558 (14)
H15E0.01000.24310.07470.176*0.558 (14)
H15F0.06690.22930.09240.176*0.558 (14)
C160.0861 (6)0.7077 (8)0.1849 (3)0.055 (2)
H160.13320.73810.18240.066*
C170.0253 (6)0.7700 (8)0.1897 (3)0.059 (2)
H170.03170.84040.19080.071*
C180.0438 (6)0.7277 (8)0.1929 (3)0.0588 (19)
H180.08590.76910.19560.071*
C190.0524 (6)0.6226 (8)0.1922 (3)0.0527 (17)
C200.0127 (6)0.5644 (8)0.1877 (3)0.0512 (16)
C210.0080 (6)0.4540 (8)0.1888 (3)0.0522 (16)
C220.0626 (6)0.4087 (8)0.1940 (3)0.0542 (18)
C230.0641 (6)0.3038 (8)0.1966 (3)0.0601 (19)
H230.11000.27120.19970.072*
C240.0010 (6)0.2489 (8)0.1946 (3)0.063 (2)
H240.00200.17840.19720.076*
C250.0671 (6)0.2985 (8)0.1887 (3)0.059 (2)
H250.11070.25930.18670.071*
C260.1232 (6)0.5723 (8)0.1958 (3)0.0592 (18)
H260.16720.61110.19750.071*
C270.1280 (6)0.4717 (8)0.1968 (3)0.0602 (18)
H270.17520.44150.19930.072*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Bi10.0372 (2)0.0447 (2)0.0395 (2)0.00210 (16)0.00663 (14)0.00030 (16)
N10.044 (5)0.052 (5)0.042 (5)0.001 (4)0.005 (4)0.003 (4)
N20.039 (5)0.053 (5)0.053 (5)0.007 (4)0.009 (4)0.006 (4)
O10.116 (5)0.089 (4)0.094 (4)0.012 (4)0.061 (4)0.017 (4)
O20.072 (4)0.057 (3)0.044 (3)0.001 (3)0.001 (3)0.008 (3)
O30.127 (5)0.116 (5)0.047 (4)0.031 (4)0.010 (4)0.017 (4)
S10.0583 (17)0.0622 (17)0.086 (2)0.0000 (13)0.0366 (16)0.0007 (14)
S20.077 (2)0.0610 (17)0.088 (2)0.0094 (15)0.0338 (18)0.0165 (15)
S30.0597 (17)0.0440 (13)0.0493 (15)0.0087 (12)0.0010 (13)0.0042 (11)
S40.0663 (18)0.0423 (13)0.0498 (15)0.0067 (12)0.0045 (13)0.0000 (11)
S50.075 (2)0.0567 (15)0.0494 (16)0.0082 (14)0.0132 (14)0.0101 (12)
S60.126 (3)0.089 (2)0.0528 (19)0.000 (2)0.0182 (19)0.0058 (16)
C10.105 (6)0.078 (5)0.081 (5)0.013 (5)0.055 (5)0.013 (4)
C20.127 (6)0.097 (5)0.103 (5)0.014 (5)0.051 (5)0.029 (5)
C30.131 (5)0.105 (4)0.111 (5)0.005 (4)0.047 (4)0.024 (4)
C40.136 (10)0.112 (10)0.107 (10)0.001 (9)0.047 (9)0.025 (9)
C3'0.131 (5)0.105 (4)0.111 (5)0.005 (4)0.047 (4)0.024 (4)
C4'0.143 (9)0.135 (9)0.098 (8)0.009 (8)0.037 (8)0.023 (8)
C50.145 (6)0.122 (6)0.123 (6)0.005 (5)0.047 (5)0.035 (5)
C60.051 (5)0.056 (4)0.041 (4)0.002 (4)0.010 (4)0.009 (4)
C70.078 (5)0.070 (5)0.046 (4)0.013 (4)0.001 (4)0.015 (4)
C80.083 (5)0.076 (5)0.051 (4)0.013 (5)0.000 (4)0.013 (4)
C90.116 (8)0.112 (8)0.075 (7)0.026 (7)0.013 (7)0.005 (6)
C100.111 (8)0.119 (8)0.076 (7)0.007 (7)0.003 (7)0.019 (7)
C110.113 (6)0.109 (6)0.049 (5)0.038 (5)0.012 (5)0.018 (4)
C120.127 (5)0.127 (5)0.059 (4)0.036 (5)0.005 (4)0.018 (4)
C130.124 (6)0.125 (6)0.058 (5)0.036 (6)0.008 (6)0.017 (5)
C140.133 (9)0.134 (9)0.070 (8)0.039 (9)0.006 (8)0.018 (8)
C150.131 (9)0.140 (9)0.064 (8)0.035 (8)0.007 (8)0.016 (8)
C12'0.127 (5)0.127 (5)0.059 (4)0.036 (5)0.005 (4)0.018 (4)
C13'0.125 (6)0.124 (6)0.060 (5)0.036 (6)0.006 (5)0.018 (5)
C14'0.129 (9)0.138 (9)0.071 (7)0.044 (8)0.006 (8)0.026 (8)
C15'0.140 (9)0.141 (8)0.063 (8)0.046 (8)0.004 (8)0.017 (8)
C160.044 (4)0.068 (4)0.051 (4)0.000 (4)0.007 (4)0.008 (4)
C170.051 (4)0.071 (4)0.054 (4)0.004 (4)0.010 (4)0.003 (4)
C180.048 (4)0.075 (4)0.053 (4)0.009 (3)0.010 (3)0.002 (3)
C190.041 (3)0.075 (4)0.044 (3)0.000 (3)0.011 (3)0.004 (3)
C200.040 (3)0.070 (3)0.044 (3)0.000 (3)0.010 (3)0.005 (3)
C210.042 (3)0.073 (3)0.043 (3)0.002 (3)0.012 (3)0.006 (3)
C220.042 (3)0.073 (4)0.047 (3)0.005 (3)0.009 (3)0.007 (3)
C230.047 (4)0.079 (4)0.055 (4)0.010 (3)0.014 (3)0.008 (3)
C240.055 (4)0.073 (4)0.061 (4)0.012 (4)0.015 (4)0.008 (4)
C250.049 (4)0.070 (4)0.059 (4)0.002 (4)0.014 (4)0.007 (4)
C260.044 (3)0.081 (4)0.054 (4)0.003 (3)0.012 (3)0.005 (3)
C270.044 (3)0.082 (4)0.054 (3)0.004 (3)0.011 (3)0.008 (3)
Geometric parameters (Å, º) top
Bi1—S12.720 (3)C9—H9B0.9600
Bi1—N22.762 (7)C9—H9C0.9600
Bi1—S32.779 (2)C10—H10A0.9600
Bi1—S52.792 (3)C10—H10B0.9600
Bi1—N12.811 (7)C10—H10C0.9600
Bi1—S62.867 (3)C12—C131.524 (19)
Bi1—S42.981 (2)C12—H12A0.9700
Bi1—S22.986 (3)C12—H12B0.9700
N1—C161.323 (11)C13—C151.517 (19)
N1—C201.361 (11)C13—C141.543 (19)
N2—C251.324 (11)C13—H130.9800
N2—C211.354 (11)C14—H14A0.9600
O1—C11.325 (12)C14—H14B0.9600
O1—C21.476 (13)C14—H14C0.9600
O2—C61.341 (10)C15—H15A0.9600
O2—C71.435 (11)C15—H15B0.9600
O3—C111.335 (13)C15—H15C0.9600
O3—C121.427 (14)C13'—C15'1.37 (3)
S1—C11.693 (12)C13'—C14'1.55 (4)
S2—C11.664 (13)C13'—H13'0.9800
S3—C61.698 (9)C14'—H14D0.9600
S4—C61.675 (9)C14'—H14E0.9600
S5—C111.685 (13)C14'—H14F0.9600
S6—C111.666 (14)C15'—H15D0.9600
C2—C31.480 (13)C15'—H15E0.9600
C2—H2A0.9700C15'—H15F0.9600
C2—H2B0.9700C16—C171.370 (12)
C3—C51.498 (17)C16—H160.9300
C3—C41.51 (2)C17—C181.346 (13)
C3—H30.9800C17—H170.9300
C4—H4A0.9600C18—C191.388 (13)
C4—H4B0.9600C18—H180.9300
C4—H4C0.9600C19—C201.397 (13)
C4'—H4'10.9600C19—C261.423 (13)
C4'—H4'20.9600C20—C211.453 (14)
C4'—H4'30.9600C21—C221.405 (12)
C5—H5A0.9600C22—C231.381 (13)
C5—H5B0.9600C22—C271.423 (13)
C5—H5C0.9600C23—C241.323 (13)
C7—C81.520 (12)C23—H230.9300
C7—H7A0.9700C24—C251.400 (13)
C7—H7B0.9700C24—H240.9300
C8—C101.464 (15)C25—H250.9300
C8—C91.502 (17)C26—C271.324 (13)
C8—H80.9800C26—H260.9300
C9—H9A0.9600C27—H270.9300
S1—Bi1—N2160.63 (17)C9—C8—H8109.0
S1—Bi1—S391.46 (9)C7—C8—H8109.0
N2—Bi1—S381.85 (16)C8—C9—H9A109.5
S1—Bi1—S579.66 (8)C8—C9—H9B109.5
N2—Bi1—S581.12 (17)H9A—C9—H9B109.5
S3—Bi1—S577.03 (8)C8—C9—H9C109.5
S1—Bi1—N1139.45 (16)H9A—C9—H9C109.5
N2—Bi1—N158.9 (2)H9B—C9—H9C109.5
S3—Bi1—N1114.62 (15)C8—C10—H10A109.5
S5—Bi1—N1134.24 (16)C8—C10—H10B109.5
S1—Bi1—S688.74 (11)H10A—C10—H10B109.5
N2—Bi1—S684.76 (17)C8—C10—H10C109.5
S3—Bi1—S6139.50 (8)H10A—C10—H10C109.5
S5—Bi1—S663.18 (9)H10B—C10—H10C109.5
N1—Bi1—S689.91 (16)O3—C11—S6122.7 (10)
S1—Bi1—S483.37 (8)O3—C11—S5112.8 (10)
N2—Bi1—S4109.01 (16)S6—C11—S5124.5 (7)
S3—Bi1—S462.33 (7)O3—C12—C13111.4 (14)
S5—Bi1—S4135.29 (8)O3—C12—H12A109.4
N1—Bi1—S482.47 (15)C13—C12—H12A109.4
S6—Bi1—S4157.22 (8)O3—C12—H12B109.4
S1—Bi1—S262.57 (8)C13—C12—H12B109.4
N2—Bi1—S2132.88 (17)H12A—C12—H12B108.0
S3—Bi1—S2136.95 (9)C15—C13—C12111.4 (18)
S5—Bi1—S2125.43 (8)C15—C13—C14111.8 (17)
N1—Bi1—S277.61 (16)C12—C13—C14109.2 (17)
S6—Bi1—S277.36 (10)C15—C13—H13108.1
S4—Bi1—S280.05 (8)C12—C13—H13108.1
C16—N1—C20116.8 (8)C14—C13—H13108.1
C16—N1—Bi1122.1 (6)C15'—C13'—C14'117 (2)
C20—N1—Bi1121.0 (6)C15'—C13'—H13'107.3
C25—N2—C21117.1 (8)C14'—C13'—H13'107.3
C25—N2—Bi1120.1 (6)C13'—C14'—H14D109.5
C21—N2—Bi1122.6 (6)C13'—C14'—H14E109.5
C1—O1—C2118.1 (9)H14D—C14'—H14E109.5
C6—O2—C7120.9 (7)C13'—C14'—H14F109.5
C11—O3—C12119.7 (10)H14D—C14'—H14F109.5
C1—S1—Bi190.4 (4)H14E—C14'—H14F109.5
C1—S2—Bi182.2 (4)C13'—C15'—H15D109.5
C6—S3—Bi189.3 (3)C13'—C15'—H15E109.5
C6—S4—Bi183.2 (3)H15D—C15'—H15E109.5
C11—S5—Bi187.2 (4)C13'—C15'—H15F109.5
C11—S6—Bi185.0 (4)H15D—C15'—H15F109.5
O1—C1—S2122.0 (9)H15E—C15'—H15F109.5
O1—C1—S1113.5 (9)N1—C16—C17124.2 (10)
S2—C1—S1124.5 (6)N1—C16—H16117.9
O1—C2—C3107.5 (10)C17—C16—H16117.9
O1—C2—H2A110.2C18—C17—C16118.9 (10)
C3—C2—H2A110.2C18—C17—H17120.5
O1—C2—H2B110.2C16—C17—H17120.5
C3—C2—H2B110.2C17—C18—C19120.2 (10)
H2A—C2—H2B108.5C17—C18—H18119.9
C2—C3—C5103.7 (11)C19—C18—H18119.9
C2—C3—C4117.0 (17)C18—C19—C20117.4 (9)
C5—C3—C486.6 (12)C18—C19—C26123.5 (9)
C2—C3—H3115.2C20—C19—C26119.2 (9)
C5—C3—H3115.2N1—C20—C19122.5 (9)
C4—C3—H3115.2N1—C20—C21118.0 (8)
H4'1—C4'—H4'2109.5C19—C20—C21119.5 (9)
H4'1—C4'—H4'3109.5N2—C21—C22122.6 (9)
H4'2—C4'—H4'3109.5N2—C21—C20118.7 (8)
C3—C5—H5A109.5C22—C21—C20118.7 (9)
C3—C5—H5B109.5C23—C22—C21117.2 (9)
H5A—C5—H5B109.5C23—C22—C27123.4 (9)
C3—C5—H5C109.5C21—C22—C27119.4 (9)
H5A—C5—H5C109.5C24—C23—C22121.0 (10)
H5B—C5—H5C109.5C24—C23—H23119.5
O2—C6—S4123.1 (7)C22—C23—H23119.5
O2—C6—S3112.4 (7)C23—C24—C25119.1 (10)
S4—C6—S3124.5 (6)C23—C24—H24120.5
O2—C7—C8108.1 (8)C25—C24—H24120.5
O2—C7—H7A110.1N2—C25—C24123.1 (10)
C8—C7—H7A110.1N2—C25—H25118.4
O2—C7—H7B110.1C24—C25—H25118.4
C8—C7—H7B110.1C27—C26—C19121.6 (10)
H7A—C7—H7B108.4C27—C26—H26119.2
C10—C8—C9111.4 (10)C19—C26—H26119.2
C10—C8—C7110.7 (10)C26—C27—C22121.6 (10)
C9—C8—C7107.8 (10)C26—C27—H27119.2
C10—C8—H8109.0C22—C27—H27119.2
 

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