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The asymmetric unit of the title compound, [Ru(C2H3N)(phen)(terpy)](PF6)2 [phen is 1,10-phenanthroline (C12H8N2) and terpy is 2,2':6',2''-terpyridine (C15H11N3)] contains a monomeric [Ru(CH3CN)(phen)(terpy)]2+ cation and two hexafluoro­phosphate anions. The ligand environment about the Ru atom is distorted octahedral. The Ru-N distances are in the range 1.933 (5)-2.083 (5) Å and the Ru-N(aceto­nitrile) distance is 2.016 (7) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804031629/ww6333sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804031629/ww6333Isup2.hkl
Contains datablock I

CCDC reference: 262238

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.012 Å
  • R factor = 0.089
  • wR factor = 0.172
  • Data-to-parameter ratio = 8.4

checkCIF/PLATON results

No syntax errors found



Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.707 0.931 Tmin' and Tmax expected: 0.863 0.931 RR' = 0.819 Please check that your absorption correction is appropriate. REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 30.50 From the CIF: _diffrn_reflns_theta_full 30.50 From the CIF: _reflns_number_total 8594 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 9472 Completeness (_total/calc) 90.73% REFNR01_ALERT_3_C Ratio of reflections to parameters is < 10 for a centrosymmetric structure sine(theta)/lambda 0.7141 Proportion of unique data used 0.4394 Ratio reflections to parameters 8.3725 RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.110 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.11 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 44 Perc. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.82 PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 8.37 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C20 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors for P1 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors for P2 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 15 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 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 9 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: PROCESS-AUTO (Molecular Structure Corporation, Rigaku Corporation, 2000); cell refinement: PROCESS-AUTO; data reduction: TEXSAN (Molecular Structure Corporation, Rigaku Corporation, 2000); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: TEXSAN.

Acetonitrile(1,10-phenanthroline) (2,2':6',2''-terpyridine)ruthenium(II) hexafluorophosphate top
Crystal data top
[Ru(C2H3N)(C12H8N2)(C15H11N3)](PF6)2Z = 2
Mr = 845.53F(000) = 840
Triclinic, P1Dx = 1.810 Mg m3
a = 8.7861 (3) ÅMo Kα radiation, λ = 0.7107 Å
b = 10.3590 (9) ÅCell parameters from 9574 reflections
c = 17.9636 (7) Åθ = 1.1–30.4°
α = 99.192 (7)°µ = 0.72 mm1
β = 90.389 (2)°T = 296 K
γ = 105.774 (3)°Platelet, red
V = 1551.0 (2) Å30.2 × 0.2 × 0.1 mm
Data collection top
Rigaku R-AXIS RAPID Imaging Plate
diffractometer
3776 reflections with I > 2.0σ(I)
Detector resolution: 10.00 pixels mm-1Rint = 0.110
ω scansθmax = 30.5°, θmin = 1.0°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 1211
Tmin = 0.707, Tmax = 0.931k = 1414
14369 measured reflectionsl = 2525
8594 independent reflections
Refinement top
Refinement on F2 w = 1/[σ2(Fo2) + (0.1P)2]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.089(Δ/σ)max = 0.031
wR(F2) = 0.172Δρmax = 0.84 e Å3
S = 1.29Δρmin = 0.58 e Å3
3776 reflectionsExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
451 parametersExtinction coefficient: 0.0000
H-atom parameters not refined
Special details top

Refinement. Refinement using reflections with F2 > -10.0 σ(F2). The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ru10.97660 (7)0.44061 (6)0.73899 (3)0.0394 (2)
P10.7111 (3)0.1833 (2)0.4352 (1)0.0772 (7)
P20.6723 (3)0.8557 (2)0.8593 (2)0.0769 (7)
F10.731 (1)0.2370 (7)0.5216 (4)0.173 (3)
F20.8756 (8)0.1660 (7)0.4323 (7)0.243 (6)
F30.7874 (8)0.3308 (5)0.4234 (4)0.138 (2)
F40.640 (1)0.0371 (5)0.4449 (5)0.180 (3)
F50.682 (1)0.1351 (9)0.3519 (4)0.225 (5)
F60.5464 (8)0.2084 (7)0.4406 (5)0.169 (3)
F70.7923 (8)0.7921 (7)0.8909 (4)0.156 (3)
F80.7186 (8)0.7929 (7)0.7821 (4)0.145 (2)
F90.5439 (8)0.7210 (6)0.8630 (4)0.147 (3)
F100.7989 (8)0.9861 (6)0.8522 (5)0.166 (3)
F110.621 (1)0.9117 (7)0.9352 (4)0.189 (4)
F120.553 (1)0.909 (1)0.8242 (6)0.238 (5)
N11.0630 (6)0.6372 (5)0.7993 (3)0.044 (1)
N21.0507 (6)0.4016 (6)0.8397 (3)0.045 (1)
N31.1852 (6)0.4301 (6)0.6914 (3)0.045 (1)
N40.9159 (7)0.2523 (6)0.6904 (3)0.047 (1)
N50.7431 (6)0.3783 (5)0.7684 (3)0.044 (1)
N60.9042 (7)0.5035 (6)0.6479 (3)0.051 (2)
C11.0703 (9)0.7558 (7)0.7778 (4)0.056 (2)
C21.1426 (10)0.8802 (7)0.8216 (5)0.069 (2)
C31.2061 (9)0.8830 (8)0.8915 (5)0.066 (2)
C41.2031 (8)0.7638 (8)0.9167 (4)0.058 (2)
C51.1313 (8)0.6426 (7)0.8678 (4)0.047 (2)
C61.1235 (8)0.5155 (7)0.8903 (4)0.048 (2)
C71.0382 (9)0.2815 (7)0.8607 (4)0.057 (2)
C81.0959 (10)0.2694 (9)0.9306 (5)0.066 (2)
C91.1725 (10)0.3813 (10)0.9782 (5)0.070 (2)
C101.1847 (9)0.5087 (9)0.9604 (4)0.060 (2)
C111.2603 (10)0.636 (1)1.0073 (4)0.074 (3)
C121.2672 (10)0.7539 (10)0.9867 (4)0.071 (2)
C131.3233 (8)0.5255 (7)0.6948 (4)0.052 (2)
C141.4555 (9)0.5059 (9)0.6606 (5)0.070 (2)
C151.4479 (10)0.381 (1)0.6219 (5)0.072 (2)
C161.311 (1)0.2763 (8)0.6161 (4)0.066 (2)
C171.1782 (9)0.3049 (8)0.6528 (4)0.053 (2)
C181.0261 (10)0.2030 (8)0.6528 (4)0.060 (2)
C190.987 (1)0.0686 (8)0.6181 (5)0.079 (3)
C200.833 (1)0.0122 (9)0.6257 (6)0.099 (3)
C210.726 (1)0.0380 (8)0.6642 (5)0.077 (3)
C220.7706 (9)0.1718 (7)0.6981 (4)0.056 (2)
C230.6733 (8)0.2456 (7)0.7447 (4)0.051 (2)
C240.5198 (9)0.1856 (8)0.7624 (5)0.066 (2)
C250.4389 (9)0.262 (1)0.8047 (5)0.078 (3)
C260.5063 (9)0.3982 (9)0.8271 (4)0.060 (2)
C270.6608 (8)0.4529 (7)0.8074 (4)0.048 (2)
C280.8643 (9)0.5418 (7)0.5975 (5)0.057 (2)
C290.812 (1)0.5937 (8)0.5343 (5)0.077 (3)
H11.04030.75040.72370.0553*
H21.13420.97020.81110.0656*
H31.26250.96990.91500.0585*
H40.98240.20080.82440.0554*
H51.07280.18250.94520.0688*
H61.21940.37991.02720.0797*
H71.32020.62741.05230.0909*
H81.31980.83461.01980.0801*
H91.33640.61520.72630.0564*
H101.54450.57700.66290.0763*
H111.54530.37140.59980.0674*
H121.30100.18130.58540.0705*
H131.06110.02220.58600.0865*
H140.79160.10190.59950.1145*
H150.62780.02430.67390.0828*
H160.46810.09790.74420.0692*
H170.33870.22270.81540.0856*
H180.44080.45350.85470.0635*
H190.70530.54980.82140.0503*
H200.85490.68850.53870.0860*
H210.84270.55050.48700.0860*
H220.69780.57270.53080.0860*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.0380 (3)0.0400 (3)0.0408 (3)0.0122 (2)0.0034 (2)0.0066 (2)
P10.083 (2)0.061 (2)0.082 (2)0.013 (1)0.009 (1)0.005 (1)
P20.075 (2)0.063 (2)0.099 (2)0.024 (1)0.011 (2)0.022 (1)
F10.261 (10)0.158 (6)0.096 (5)0.069 (6)0.012 (6)0.008 (4)
F20.099 (5)0.112 (6)0.50 (2)0.054 (5)0.021 (8)0.036 (8)
F30.136 (5)0.079 (4)0.185 (7)0.005 (4)0.010 (5)0.044 (4)
F40.245 (9)0.053 (4)0.231 (8)0.011 (4)0.071 (7)0.038 (4)
F50.28 (1)0.216 (8)0.080 (5)0.075 (8)0.019 (6)0.022 (5)
F60.108 (5)0.155 (6)0.231 (9)0.043 (5)0.003 (6)0.015 (6)
F70.109 (5)0.205 (7)0.184 (7)0.051 (5)0.001 (5)0.114 (6)
F80.140 (6)0.174 (6)0.123 (5)0.050 (5)0.038 (4)0.018 (5)
F90.120 (5)0.083 (4)0.213 (7)0.002 (4)0.063 (5)0.006 (4)
F100.140 (6)0.073 (4)0.261 (9)0.018 (4)0.057 (6)0.034 (5)
F110.248 (9)0.121 (5)0.128 (6)0.022 (6)0.060 (6)0.053 (5)
F120.163 (8)0.30 (1)0.36 (1)0.155 (8)0.063 (8)0.20 (1)
N10.043 (3)0.040 (3)0.045 (3)0.007 (3)0.001 (3)0.004 (3)
N20.040 (3)0.053 (4)0.046 (3)0.017 (3)0.010 (3)0.014 (3)
N30.045 (3)0.050 (4)0.042 (3)0.015 (3)0.004 (3)0.005 (3)
N40.044 (3)0.050 (4)0.048 (3)0.017 (3)0.003 (3)0.009 (3)
N50.041 (3)0.046 (3)0.047 (3)0.017 (3)0.008 (3)0.007 (3)
N60.053 (4)0.046 (4)0.052 (4)0.010 (3)0.004 (3)0.009 (3)
C10.060 (5)0.043 (4)0.063 (5)0.011 (4)0.005 (4)0.006 (4)
C20.069 (6)0.034 (4)0.095 (7)0.006 (4)0.008 (5)0.002 (4)
C30.058 (5)0.054 (5)0.076 (6)0.009 (4)0.003 (5)0.004 (4)
C40.042 (4)0.060 (5)0.058 (5)0.002 (4)0.009 (4)0.007 (4)
C50.039 (4)0.058 (5)0.044 (4)0.014 (3)0.008 (4)0.006 (4)
C60.039 (4)0.061 (5)0.040 (4)0.009 (3)0.002 (3)0.003 (4)
C70.057 (5)0.048 (4)0.068 (5)0.016 (4)0.004 (4)0.013 (4)
C80.069 (5)0.082 (6)0.062 (5)0.032 (5)0.003 (5)0.034 (5)
C90.066 (5)0.089 (7)0.059 (5)0.024 (5)0.010 (4)0.021 (5)
C100.053 (5)0.087 (6)0.043 (4)0.024 (4)0.005 (4)0.009 (4)
C110.058 (5)0.114 (8)0.045 (5)0.016 (5)0.013 (4)0.012 (5)
C120.059 (5)0.098 (7)0.042 (5)0.007 (5)0.003 (4)0.004 (5)
C130.031 (3)0.075 (5)0.049 (4)0.011 (3)0.007 (3)0.015 (4)
C140.046 (5)0.094 (7)0.076 (6)0.022 (5)0.009 (4)0.028 (5)
C150.056 (5)0.105 (7)0.066 (6)0.033 (5)0.007 (5)0.029 (5)
C160.088 (6)0.079 (6)0.045 (4)0.047 (5)0.015 (5)0.006 (4)
C170.055 (5)0.064 (5)0.051 (4)0.030 (4)0.008 (4)0.015 (4)
C180.078 (6)0.052 (5)0.050 (4)0.028 (4)0.009 (4)0.005 (4)
C190.091 (7)0.056 (5)0.090 (7)0.034 (5)0.001 (6)0.008 (5)
C200.118 (9)0.048 (5)0.109 (8)0.014 (6)0.000 (7)0.033 (5)
C210.079 (6)0.050 (5)0.088 (7)0.001 (5)0.006 (5)0.003 (5)
C220.064 (5)0.043 (4)0.062 (5)0.018 (4)0.005 (4)0.005 (4)
C230.046 (4)0.041 (4)0.067 (5)0.009 (3)0.014 (4)0.014 (4)
C240.053 (5)0.056 (5)0.082 (6)0.003 (4)0.015 (4)0.013 (4)
C250.041 (4)0.091 (7)0.105 (7)0.014 (5)0.001 (5)0.036 (6)
C260.045 (4)0.084 (6)0.062 (5)0.030 (4)0.017 (4)0.021 (4)
C270.043 (4)0.055 (4)0.049 (4)0.017 (3)0.010 (3)0.014 (3)
C280.064 (5)0.044 (4)0.061 (5)0.009 (4)0.006 (4)0.011 (4)
C290.097 (7)0.062 (5)0.071 (6)0.016 (5)0.032 (5)0.017 (4)
Geometric parameters (Å, º) top
Ru1—N12.083 (5)C7—C81.39 (1)
Ru1—N22.054 (6)C7—H40.981
Ru1—N32.050 (6)C8—C91.33 (1)
Ru1—N41.933 (5)C8—H50.947
Ru1—N52.075 (5)C9—C101.38 (1)
Ru1—N62.016 (7)C9—H60.973
P1—F11.555 (7)C10—C111.44 (1)
P1—F21.504 (8)C11—C121.31 (2)
P1—F31.542 (6)C11—H70.991
P1—F41.512 (6)C12—H80.945
P1—F51.497 (7)C13—C141.37 (1)
P1—F61.539 (8)C13—H90.985
P2—F71.535 (9)C14—C151.35 (1)
P2—F81.541 (7)C14—H100.912
P2—F91.549 (6)C15—C161.37 (1)
P2—F101.523 (6)C15—H110.969
P2—F111.515 (8)C16—C171.42 (1)
P2—F121.49 (1)C16—H121.030
N1—C11.331 (10)C17—C181.461 (10)
N1—C51.352 (9)C18—C191.38 (1)
N2—C61.367 (8)C19—C201.40 (1)
N2—C71.33 (1)C19—H131.040
N3—C131.334 (8)C20—C211.34 (2)
N3—C171.354 (9)C20—H140.945
N4—C181.35 (1)C21—C221.37 (1)
N4—C221.344 (9)C21—H150.963
N5—C231.342 (8)C22—C231.48 (1)
N5—C271.323 (9)C23—C241.38 (1)
N6—C281.13 (1)C24—C251.36 (1)
C1—C21.381 (9)C24—H160.903
C1—H10.992C25—C261.36 (1)
C2—C31.36 (1)C25—H170.901
C2—H21.002C26—C271.394 (10)
C3—C41.38 (1)C26—H180.999
C3—H30.932C27—H190.963
C4—C51.398 (9)C28—C291.45 (1)
C4—C121.40 (1)C29—H200.941
C5—C61.42 (1)C29—H210.971
C6—C101.38 (1)C29—H220.966
F1···C15i3.59 (1)F9···C4i3.27 (1)
F2···C19ii3.02 (1)F9···C12i3.35 (1)
F2···C29iii3.143 (10)F9···C5i3.498 (9)
F2···C28iii3.38 (1)F9···C13i3.580 (9)
F2···C20ii3.45 (1)F10···C7vi3.186 (8)
F3···C28iii3.037 (10)F10···C8vi3.446 (9)
F3···C13iii3.07 (1)F10···C21vi3.58 (1)
F3···N6iii3.185 (8)F11···C12i3.31 (1)
F3···N3iii3.428 (9)F11···C12vii3.39 (1)
F3···C29iii3.44 (1)F11···C3vii3.55 (1)
F3···C14iii3.52 (1)F11···C4i3.57 (1)
F4···F4iv3.17 (2)F12···C3i3.24 (1)
F4···C16ii3.40 (1)F12···C24vi3.32 (1)
F4···C21iv3.58 (1)F12···C2i3.53 (1)
F4···F6iv3.58 (1)F12···C21vi3.54 (1)
F5···C1iii3.32 (1)F12···C4i3.58 (1)
F5···C2iii3.49 (1)C8···C12v3.49 (1)
F5···C21iv3.53 (1)C10···C10v3.52 (2)
F5···C24iv3.60 (1)C13···C26viii3.48 (1)
F6···C21iv3.297 (10)C14···C27viii3.38 (1)
F6···C20iv3.49 (1)C14···C26viii3.42 (1)
F7···C9v3.24 (1)C16···C29iii3.49 (1)
F7···C8v3.55 (1)C16···C24viii3.58 (1)
F8···C21vi3.54 (1)
N1—Ru1—N279.0 (2)C4—C5—C6119.8 (7)
N1—Ru1—N396.2 (2)N2—C6—C5116.4 (6)
N1—Ru1—N4172.9 (3)N2—C6—C10122.2 (7)
N1—Ru1—N5104.4 (2)C5—C6—C10121.3 (6)
N1—Ru1—N693.8 (2)N2—C7—C8122.6 (6)
N2—Ru1—N391.8 (2)N2—C7—H4116.1
N2—Ru1—N494.8 (2)C8—C7—H4121.2
N2—Ru1—N589.8 (2)C7—C8—C9119.4 (8)
N2—Ru1—N6172.3 (2)C7—C8—H5119.3
N3—Ru1—N480.3 (2)C9—C8—H5121.1
N3—Ru1—N5159.2 (2)C8—C9—C10120.4 (8)
N3—Ru1—N691.4 (2)C8—C9—H6123.6
N4—Ru1—N578.9 (2)C10—C9—H6116.0
N4—Ru1—N692.6 (2)C6—C10—C9117.9 (7)
N5—Ru1—N689.6 (2)C6—C10—C11116.3 (8)
F1—P1—F292.4 (6)C9—C10—C11125.8 (8)
F1—P1—F387.6 (4)C10—C11—C12122.4 (8)
F1—P1—F493.7 (4)C10—C11—H7113.7
F1—P1—F5176.1 (6)C12—C11—H7123.3
F1—P1—F685.6 (5)C4—C12—C11122.5 (7)
F2—P1—F386.4 (4)C4—C12—H8118.9
F2—P1—F492.3 (5)C11—C12—H8118.6
F2—P1—F591.4 (6)N3—C13—C14124.4 (7)
F2—P1—F6177.0 (4)N3—C13—H9119.8
F3—P1—F4178.2 (5)C14—C13—H9115.7
F3—P1—F591.6 (4)C13—C14—C15118.2 (7)
F3—P1—F691.4 (4)C13—C14—H10119.9
F4—P1—F587.2 (5)C15—C14—H10121.9
F4—P1—F690.0 (5)C14—C15—C16121.3 (8)
F5—P1—F690.6 (5)C14—C15—H11115.2
F7—P2—F883.9 (4)C16—C15—H11123.4
F7—P2—F987.5 (4)C15—C16—C17117.1 (8)
F7—P2—F1092.8 (4)C15—C16—H12122.7
F7—P2—F1196.0 (5)C17—C16—H12120.1
F7—P2—F12176.0 (5)N3—C17—C16121.7 (6)
F8—P2—F990.1 (4)N3—C17—C18115.1 (7)
F8—P2—F1087.7 (4)C16—C17—C18123.2 (7)
F8—P2—F11177.5 (4)N4—C18—C17113.4 (6)
F8—P2—F1292.8 (5)N4—C18—C19119.5 (7)
F9—P2—F10177.7 (4)C17—C18—C19127.2 (8)
F9—P2—F1187.4 (4)C18—C19—C20117.8 (9)
F9—P2—F1290.2 (5)C18—C19—H13125.3
F10—P2—F1194.8 (4)C20—C19—H13116.8
F10—P2—F1289.3 (5)C19—C20—C21121.9 (8)
F11—P2—F1287.2 (6)C19—C20—H14124.0
Ru1—N1—C1129.3 (4)C21—C20—H14113.6
Ru1—N1—C5113.8 (5)C20—C21—C22118.3 (8)
C1—N1—C5116.6 (5)C20—C21—H15118.6
Ru1—N2—C6114.2 (5)C22—C21—H15122.3
Ru1—N2—C7128.5 (4)N4—C22—C21120.9 (7)
C6—N2—C7117.2 (6)N4—C22—C23112.1 (6)
Ru1—N3—C13129.7 (5)C21—C22—C23127.0 (7)
Ru1—N3—C17113.0 (4)N5—C23—C22115.0 (6)
C13—N3—C17117.3 (6)N5—C23—C24121.3 (7)
Ru1—N4—C18118.2 (4)C22—C23—C24123.7 (6)
Ru1—N4—C22120.2 (5)C23—C24—C25119.4 (7)
C18—N4—C22121.5 (6)C23—C24—H16122.7
Ru1—N5—C23113.6 (5)C25—C24—H16117.9
Ru1—N5—C27127.7 (4)C24—C25—C26120.1 (7)
C23—N5—C27118.7 (5)C24—C25—H17118.7
Ru1—N6—C28178.5 (5)C26—C25—H17121.2
N1—C1—C2123.3 (7)C25—C26—C27117.9 (8)
N1—C1—H1115.3C25—C26—H18118.3
C2—C1—H1120.2C27—C26—H18123.7
C1—C2—C3118.9 (8)N5—C27—C26122.6 (6)
C1—C2—H2125.0N5—C27—H19120.1
C3—C2—H2115.0C26—C27—H19117.2
C2—C3—C4120.4 (7)N6—C28—C29178.4 (8)
C2—C3—H3113.5C28—C29—H20111.8
C4—C3—H3125.5C28—C29—H21110.6
C3—C4—C5116.8 (7)C28—C29—H22110.6
C3—C4—C12125.6 (7)H20—C29—H21108.5
C5—C4—C12117.7 (8)H20—C29—H22108.8
N1—C5—C4123.8 (7)H21—C29—H22106.4
N1—C5—C6116.3 (5)
Symmetry codes: (i) x1, y, z; (ii) x+2, y, z+1; (iii) x+2, y+1, z+1; (iv) x+1, y, z+1; (v) x+2, y+1, z+2; (vi) x, y+1, z; (vii) x+2, y+2, z+2; (viii) x+1, y, z.
 

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