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In the title compound, [Ir(C10H15)(N3)(C10H8N2)]PF6, the linear azide ligand adopts an end-on terminal coordination mode with a relatively long Ir—N bond of 2.230 (6) Å. The azide is asymmetric in an unusual way: the azide N—N bond adjacent to the azide Ir—N bond [1.025 (12) Å] is significantly shorter than the terminal azide N—N bond [1.282 (15) Å], while the azide Ir—N—N bond angle is 116.4 (6)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805003727/is6050sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805003727/is6050Isup2.hkl
Contains datablock I

CCDC reference: 269796

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.012 Å
  • R factor = 0.049
  • wR factor = 0.138
  • Data-to-parameter ratio = 22.6

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for N1 - N2 .. 16.15 su
Alert level C PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT220_ALERT_2_C Large Non-Solvent N Ueq(max)/Ueq(min) ... 3.21 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for N2 - N3 .. 5.40 su PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P1 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.52 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C6 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C7 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C8 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C10
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: WinAFC Diffactometer Control Software (Rigaku, 1999); cell refinement: WinAFC Diffactometer Control Software; data reduction: CrystalStructure (Rigaku/MSC, 2000-2004); program(s) used to solve structure: DIRDIF99 (Beurskens et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Azido(2,2'-bipyridine)(η5-pentamethylcyclopentadienyl)iridium(III) hexafluorophosphate top
Crystal data top
[Ir(C10H15)(N3)(C10H8N2)]PF6Z = 2
Mr = 670.60F(000) = 648
Triclinic, P1Dx = 1.917 Mg m3
a = 8.1208 (17) ÅMo Kα radiation, λ = 0.71069 Å
b = 11.307 (4) ÅCell parameters from 25 reflections
c = 13.022 (3) Åθ = 12.6–14.6°
α = 83.58 (2)°µ = 5.88 mm1
β = 82.954 (19)°T = 296 K
γ = 79.53 (2)°Prism, orange
V = 1162.1 (5) Å30.20 × 0.20 × 0.14 mm
Data collection top
Rigaku AFC-7R
diffractometer
5489 reflections with I > 2σ(I)
Radiation source: rotating anodeRint = 0.039
Graphite monochromatorθmax = 30.0°, θmin = 2.5°
ω/2θ scansh = 1111
Absorption correction: integration
(Coppens et al., 1965)
k = 1515
Tmin = 0.321, Tmax = 0.473l = 618
7156 measured reflections3 standard reflections every 150 reflections
6752 independent reflections intensity decay: 18.3%
Refinement top
Refinement on F2Primary atom site location: heavy-atom method
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.049Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.138H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.099P)2 + 0.8347P]
where P = (Fo2 + 2Fc2)/3
6752 reflections(Δ/σ)max = 0.001
299 parametersΔρmax = 3.07 e Å3
0 restraintsΔρmin = 4.13 e Å3
Special details top

Experimental. none

Refinement. A linear decay correction was applied (Rigaku and Rigaku/MSC, 2000–2004)

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ir10.07597 (3)0.323151 (18)0.219860 (16)0.04032 (9)
P10.6127 (3)0.1772 (3)0.64049 (17)0.0773 (7)
F10.4323 (9)0.2398 (9)0.6830 (6)0.128 (3)
F20.6093 (16)0.0817 (14)0.7310 (9)0.241 (9)
F30.5232 (15)0.1012 (13)0.5745 (12)0.178 (5)
F40.6982 (15)0.2375 (17)0.7078 (16)0.280 (11)
F50.6107 (15)0.2601 (11)0.5411 (9)0.178 (5)
F60.7882 (9)0.1062 (10)0.5977 (6)0.148 (4)
N10.1365 (7)0.3846 (5)0.1224 (5)0.0526 (13)
N20.1758 (11)0.3190 (10)0.0877 (7)0.089 (3)
N30.2366 (18)0.2487 (11)0.0374 (11)0.133 (5)
N40.1937 (7)0.2236 (6)0.0965 (4)0.0508 (12)
N50.0162 (6)0.1609 (4)0.2514 (4)0.0409 (9)
C10.2856 (9)0.3443 (7)0.2989 (6)0.0547 (15)
C20.2437 (9)0.4508 (7)0.2294 (6)0.0569 (15)
C30.0746 (10)0.5030 (6)0.2613 (6)0.0566 (15)
C40.0096 (10)0.4318 (6)0.3484 (6)0.0540 (15)
C50.1434 (10)0.3343 (6)0.3733 (5)0.0545 (14)
C60.4553 (11)0.2626 (9)0.2987 (9)0.079 (2)
C70.3651 (14)0.5033 (9)0.1499 (9)0.082 (3)
C80.0164 (13)0.6179 (8)0.2106 (9)0.084 (3)
C90.1614 (12)0.4625 (9)0.4085 (8)0.076 (2)
C100.1384 (14)0.2389 (9)0.4632 (6)0.076 (2)
C110.2926 (13)0.2681 (10)0.0173 (7)0.073 (2)
C120.3667 (12)0.1994 (11)0.0611 (6)0.078 (3)
C130.3432 (11)0.0845 (11)0.0601 (7)0.079 (3)
C140.2336 (10)0.0366 (9)0.0211 (6)0.064 (2)
C150.1611 (8)0.1100 (6)0.0981 (5)0.0485 (13)
C160.0409 (7)0.0739 (5)0.1852 (5)0.0439 (11)
C170.0157 (10)0.0353 (6)0.1992 (6)0.0574 (16)
C180.1339 (10)0.0564 (6)0.2802 (7)0.0618 (17)
C190.1898 (9)0.0287 (6)0.3458 (6)0.0524 (14)
C200.1313 (8)0.1395 (6)0.3313 (5)0.0476 (12)
H6A0.52940.28830.24060.095*
H6B0.44180.18100.29340.095*
H6C0.50250.26670.36200.095*
H7A0.46980.44800.14390.098*
H7B0.38390.57820.17050.098*
H7C0.31980.51750.08410.098*
H8A0.12820.63590.24530.100*
H8B0.02260.60860.13890.100*
H8C0.04320.68270.21530.100*
H9A0.17620.39990.46330.092*
H9B0.24730.46920.36260.092*
H9C0.16950.53790.43770.092*
H10A0.02920.25100.50200.091*
H10B0.22250.24430.50740.091*
H10C0.16020.16060.43760.091*
H110.31120.34710.01560.087*
H120.43410.23240.11570.094*
H130.39800.03690.11200.095*
H140.21150.04140.02220.076*
H170.02640.09420.15380.069*
H180.17490.12890.28950.074*
H190.26850.01420.40190.063*
H200.17240.19810.37700.057*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ir10.04031 (12)0.03977 (12)0.03956 (12)0.00657 (8)0.00170 (8)0.00114 (8)
P10.0499 (10)0.129 (2)0.0477 (10)0.0136 (12)0.0090 (8)0.0035 (11)
F10.078 (4)0.181 (8)0.100 (5)0.024 (4)0.014 (4)0.003 (5)
F20.178 (10)0.315 (17)0.123 (8)0.108 (11)0.069 (7)0.102 (10)
F30.118 (8)0.202 (12)0.234 (14)0.061 (8)0.008 (8)0.062 (10)
F40.136 (9)0.331 (19)0.43 (2)0.015 (10)0.094 (12)0.293 (19)
F50.160 (9)0.199 (11)0.135 (8)0.010 (8)0.031 (7)0.069 (8)
F60.066 (4)0.268 (11)0.103 (5)0.002 (5)0.018 (4)0.060 (6)
N10.050 (3)0.044 (3)0.067 (4)0.009 (2)0.018 (3)0.003 (2)
N20.067 (5)0.111 (7)0.072 (5)0.011 (5)0.008 (4)0.028 (5)
N30.157 (11)0.103 (8)0.152 (11)0.007 (7)0.097 (9)0.012 (7)
N40.048 (3)0.061 (3)0.042 (2)0.009 (2)0.006 (2)0.007 (2)
N50.038 (2)0.041 (2)0.044 (2)0.0066 (17)0.0008 (19)0.0079 (18)
C10.048 (3)0.059 (4)0.062 (4)0.012 (3)0.016 (3)0.007 (3)
C20.055 (4)0.055 (4)0.064 (4)0.021 (3)0.004 (3)0.001 (3)
C30.062 (4)0.042 (3)0.067 (4)0.011 (3)0.005 (3)0.009 (3)
C40.063 (4)0.051 (3)0.051 (3)0.015 (3)0.000 (3)0.015 (3)
C50.069 (4)0.051 (3)0.047 (3)0.016 (3)0.011 (3)0.004 (3)
C60.059 (5)0.085 (6)0.092 (6)0.005 (4)0.024 (4)0.003 (5)
C70.080 (6)0.071 (5)0.093 (7)0.036 (5)0.013 (5)0.012 (5)
C80.082 (6)0.048 (4)0.113 (8)0.001 (4)0.007 (5)0.000 (4)
C90.077 (5)0.076 (5)0.075 (5)0.012 (4)0.016 (4)0.030 (5)
C100.101 (7)0.079 (5)0.053 (4)0.028 (5)0.024 (4)0.006 (4)
C110.075 (5)0.086 (6)0.057 (4)0.029 (5)0.011 (4)0.007 (4)
C120.065 (5)0.120 (8)0.045 (4)0.017 (5)0.014 (3)0.004 (4)
C130.058 (4)0.120 (8)0.057 (4)0.003 (5)0.001 (3)0.034 (5)
C140.055 (4)0.079 (5)0.055 (4)0.005 (3)0.001 (3)0.030 (4)
C150.042 (3)0.054 (3)0.046 (3)0.006 (2)0.005 (2)0.010 (2)
C160.041 (3)0.046 (3)0.045 (3)0.003 (2)0.005 (2)0.009 (2)
C170.067 (4)0.042 (3)0.063 (4)0.005 (3)0.011 (3)0.010 (3)
C180.063 (4)0.046 (3)0.078 (5)0.017 (3)0.009 (4)0.004 (3)
C190.050 (3)0.050 (3)0.058 (4)0.018 (3)0.002 (3)0.000 (3)
C200.050 (3)0.044 (3)0.048 (3)0.010 (2)0.005 (2)0.004 (2)
Geometric parameters (Å, º) top
Ir1—N12.230 (6)C12—C131.346 (15)
Ir1—N42.097 (5)C13—C141.421 (14)
Ir1—N52.086 (5)C14—C151.381 (9)
Ir1—C12.156 (6)C15—C161.475 (9)
Ir1—C22.179 (7)C16—C171.379 (9)
Ir1—C32.159 (7)C17—C181.367 (11)
Ir1—C42.145 (7)C18—C191.339 (11)
Ir1—C52.158 (7)C19—C201.404 (9)
P1—F11.570 (7)C6—H6A0.9600
P1—F21.509 (10)C6—H6B0.9600
P1—F31.597 (12)C6—H6C0.9600
P1—F41.472 (10)C7—H7A0.9600
P1—F51.510 (10)C7—H7B0.9600
P1—F61.574 (7)C7—H7C0.9600
N1—N21.025 (12)C8—H8A0.9600
N2—N31.282 (15)C8—H8B0.9600
N4—C111.338 (10)C8—H8C0.9600
N4—C151.356 (9)C9—H9A0.9600
N5—C161.361 (7)C9—H9B0.9600
N5—C201.342 (8)C9—H9C0.9600
C1—C21.437 (11)C10—H10A0.9600
C1—C51.426 (11)C10—H10B0.9600
C1—C61.513 (11)C10—H10C0.9600
C2—C31.424 (11)C11—H110.9300
C2—C71.491 (11)C12—H120.9300
C3—C41.421 (10)C13—H130.9300
C3—C81.499 (11)C14—H140.9300
C4—C51.440 (10)C17—H170.9300
C4—C91.510 (11)C18—H180.9300
C5—C101.503 (10)C19—H190.9300
C11—C121.365 (14)C20—H200.9300
N1—Ir1—N486.2 (2)C5—C4—C9127.6 (7)
N1—Ir1—N586.3 (2)Ir1—C4—C371.3 (4)
N4—Ir1—N576.8 (2)Ir1—C4—C570.9 (4)
N1—Ir1—C1155.5 (3)Ir1—C4—C9127.6 (6)
N1—Ir1—C2117.2 (3)C1—C5—C4108.4 (6)
N1—Ir1—C393.0 (3)C1—C5—C10125.0 (8)
N1—Ir1—C4103.4 (3)C4—C5—C10126.6 (7)
N1—Ir1—C5140.9 (3)Ir1—C5—C170.6 (4)
N4—Ir1—C1102.6 (3)Ir1—C5—C470.0 (4)
N4—Ir1—C2103.7 (3)Ir1—C5—C10126.3 (5)
N4—Ir1—C3134.6 (3)N4—C11—C12121.1 (10)
N4—Ir1—C4167.6 (3)C11—C12—C13120.7 (9)
N4—Ir1—C5132.6 (3)C12—C13—C14119.3 (8)
N5—Ir1—C1117.8 (3)C13—C14—C15117.7 (8)
N5—Ir1—C2156.5 (3)N4—C15—C14121.2 (7)
N5—Ir1—C3148.5 (3)N4—C15—C16115.2 (5)
N5—Ir1—C4111.2 (2)C14—C15—C16123.6 (7)
N5—Ir1—C597.4 (2)N5—C16—C15113.7 (5)
C1—Ir1—C238.7 (3)N5—C16—C17121.5 (6)
C1—Ir1—C364.4 (3)C15—C16—C17124.8 (6)
C1—Ir1—C465.4 (3)C16—C17—C18119.6 (6)
C1—Ir1—C538.6 (3)C17—C18—C19119.2 (6)
C2—Ir1—C338.3 (3)C18—C19—C20120.9 (6)
C2—Ir1—C465.1 (3)N5—C20—C19120.1 (6)
C2—Ir1—C564.6 (3)C1—C6—H6A109.5
C3—Ir1—C438.5 (3)C1—C6—H6B109.5
C3—Ir1—C564.2 (3)C1—C6—H6C109.5
C4—Ir1—C539.1 (3)H6A—C6—H6B109.5
F1—P1—F289.4 (5)H6A—C6—H6C109.5
F1—P1—F387.7 (6)H6B—C6—H6C109.5
F1—P1—F493.5 (6)C2—C7—H7A109.5
F1—P1—F592.3 (6)C2—C7—H7B109.5
F1—P1—F6176.0 (6)C2—C7—H7C109.5
F2—P1—F390.7 (10)H7A—C7—H7B109.5
F2—P1—F484.3 (11)H7A—C7—H7C109.5
F2—P1—F5172.1 (10)H7B—C7—H7C109.5
F2—P1—F688.4 (6)C3—C8—H8A109.5
F3—P1—F4174.9 (11)C3—C8—H8B109.5
F3—P1—F581.7 (8)C3—C8—H8C109.5
F3—P1—F688.9 (6)H8A—C8—H8B109.5
F4—P1—F5103.3 (11)H8A—C8—H8C109.5
F4—P1—F689.7 (6)H8B—C8—H8C109.5
F5—P1—F689.5 (6)C4—C9—H9A109.5
Ir1—N1—N2116.4 (6)C4—C9—H9B109.5
N1—N2—N3172.3 (10)C4—C9—H9C109.5
Ir1—N4—C11123.4 (6)H9A—C9—H9B109.5
Ir1—N4—C15116.6 (4)H9A—C9—H9C109.5
C11—N4—C15120.0 (7)H9B—C9—H9C109.5
Ir1—N5—C16117.7 (4)C5—C10—H10A109.5
Ir1—N5—C20123.6 (4)C5—C10—H10B109.5
C16—N5—C20118.8 (5)C5—C10—H10C109.5
C2—C1—C5108.1 (6)H10A—C10—H10B109.5
C2—C1—C6126.0 (8)H10A—C10—H10C109.5
C5—C1—C6125.7 (8)H10B—C10—H10C109.5
Ir1—C1—C271.5 (4)N4—C11—H11119.4
Ir1—C1—C570.8 (4)C12—C11—H11119.4
Ir1—C1—C6127.0 (6)C11—C12—H12119.6
C1—C2—C3107.0 (6)C13—C12—H12119.6
C1—C2—C7125.0 (8)C12—C13—H13120.4
C3—C2—C7127.5 (8)C14—C13—H13120.4
Ir1—C2—C169.8 (4)C13—C14—H14121.2
Ir1—C2—C370.1 (4)C15—C14—H14121.2
Ir1—C2—C7131.7 (7)C16—C17—H17120.2
C2—C3—C4109.8 (7)C18—C17—H17120.2
C2—C3—C8124.1 (8)C17—C18—H18120.4
C4—C3—C8126.1 (8)C19—C18—H18120.4
Ir1—C3—C271.6 (4)C18—C19—H19119.5
Ir1—C3—C470.2 (4)C20—C19—H19119.5
Ir1—C3—C8125.9 (6)N5—C20—H20120.0
C3—C4—C5106.7 (6)C19—C20—H20120.0
C3—C4—C9125.3 (8)
N4—Ir1—N1—N246.3 (8)C1—Ir1—C3—C482.0 (5)
N5—Ir1—N1—N230.7 (8)C2—Ir1—C3—C4119.9 (7)
C1—Ir1—N1—N2158.9 (7)C5—Ir1—C3—C439.0 (4)
C2—Ir1—N1—N2149.7 (8)N1—Ir1—C3—C813.0 (8)
C3—Ir1—N1—N2179.2 (8)N4—Ir1—C3—C874.7 (8)
C4—Ir1—N1—N2141.6 (8)N5—Ir1—C3—C8100.8 (8)
C5—Ir1—N1—N2127.9 (8)C1—Ir1—C3—C8157.1 (9)
N1—Ir1—N4—C1188.8 (7)C2—Ir1—C3—C8119.2 (9)
N5—Ir1—N4—C11175.9 (8)C4—Ir1—C3—C8120.9 (9)
C1—Ir1—N4—C1168.0 (8)C5—Ir1—C3—C8159.9 (8)
C2—Ir1—N4—C1128.2 (8)Ir1—C3—C4—C562.5 (5)
C3—Ir1—N4—C111.7 (9)C2—C3—C4—C51.6 (8)
C4—Ir1—N4—C1152.5 (14)C8—C3—C4—C5177.0 (8)
C5—Ir1—N4—C1196.1 (8)Ir1—C3—C4—C9123.3 (8)
N1—Ir1—N4—C1589.2 (5)C2—C3—C4—C9175.8 (7)
N5—Ir1—N4—C152.1 (5)C8—C3—C4—C92.8 (13)
C1—Ir1—N4—C15113.9 (5)C2—C3—C4—Ir160.9 (5)
C2—Ir1—N4—C15153.7 (5)C8—C3—C4—Ir1120.6 (9)
C3—Ir1—N4—C15179.7 (5)N1—Ir1—C4—C377.7 (5)
C4—Ir1—N4—C15129.5 (11)N4—Ir1—C4—C362.4 (13)
C5—Ir1—N4—C1585.9 (6)N5—Ir1—C4—C3168.9 (4)
N1—Ir1—N5—C1688.5 (5)C1—Ir1—C4—C379.1 (5)
N4—Ir1—N5—C161.5 (4)C2—Ir1—C4—C336.3 (4)
C1—Ir1—N5—C1696.0 (5)C5—Ir1—C4—C3116.0 (6)
C2—Ir1—N5—C1692.5 (7)N1—Ir1—C4—C5166.3 (4)
C3—Ir1—N5—C16178.2 (5)N4—Ir1—C4—C553.6 (13)
C4—Ir1—N5—C16168.5 (4)N5—Ir1—C4—C575.0 (4)
C5—Ir1—N5—C16130.6 (5)C1—Ir1—C4—C536.9 (4)
N1—Ir1—N5—C2089.6 (5)C2—Ir1—C4—C579.7 (4)
N4—Ir1—N5—C20176.6 (6)C3—Ir1—C4—C5116.0 (6)
C1—Ir1—N5—C2085.9 (6)N1—Ir1—C4—C943.0 (8)
C2—Ir1—N5—C2089.4 (8)N4—Ir1—C4—C9176.9 (10)
C3—Ir1—N5—C200.1 (8)N5—Ir1—C4—C948.3 (8)
C4—Ir1—N5—C2013.3 (6)C1—Ir1—C4—C9160.2 (8)
C5—Ir1—N5—C2051.2 (6)C2—Ir1—C4—C9157.0 (9)
N1—Ir1—C1—C213.1 (9)C3—Ir1—C4—C9120.7 (10)
N4—Ir1—C1—C296.1 (5)C5—Ir1—C4—C9123.3 (9)
N5—Ir1—C1—C2177.8 (4)Ir1—C1—C5—C460.0 (5)
C3—Ir1—C1—C237.5 (5)C2—C1—C5—C42.1 (8)
C4—Ir1—C1—C280.2 (5)C6—C1—C5—C4177.7 (7)
C5—Ir1—C1—C2117.6 (6)Ir1—C1—C5—C10121.3 (7)
N1—Ir1—C1—C5104.5 (7)C2—C1—C5—C10176.5 (7)
N4—Ir1—C1—C5146.3 (4)C6—C1—C5—C101.0 (12)
N5—Ir1—C1—C564.7 (5)C2—C1—C5—Ir162.2 (5)
C2—Ir1—C1—C5117.6 (6)C6—C1—C5—Ir1122.3 (8)
C3—Ir1—C1—C580.1 (5)Ir1—C4—C5—C160.4 (5)
C4—Ir1—C1—C537.4 (4)C3—C4—C5—C12.3 (8)
N1—Ir1—C1—C6134.7 (8)C9—C4—C5—C1176.3 (7)
N4—Ir1—C1—C625.5 (8)Ir1—C4—C5—C10120.9 (7)
N5—Ir1—C1—C656.1 (8)C3—C4—C5—C10176.4 (7)
C2—Ir1—C1—C6121.6 (10)C9—C4—C5—C102.4 (12)
C3—Ir1—C1—C6159.1 (9)C3—C4—C5—Ir162.7 (5)
C4—Ir1—C1—C6158.1 (8)C9—C4—C5—Ir1123.3 (8)
C5—Ir1—C1—C6120.8 (9)N1—Ir1—C5—C1140.4 (5)
Ir1—C1—C2—C360.5 (5)N4—Ir1—C5—C147.4 (5)
C5—C1—C2—C31.1 (8)N5—Ir1—C5—C1126.3 (4)
C6—C1—C2—C3176.7 (7)C2—Ir1—C5—C137.9 (4)
Ir1—C1—C2—C7127.4 (9)C3—Ir1—C5—C180.5 (5)
C5—C1—C2—C7171.0 (8)C4—Ir1—C5—C1119.0 (6)
C6—C1—C2—C74.6 (13)N1—Ir1—C5—C421.5 (6)
C5—C1—C2—Ir161.7 (5)N4—Ir1—C5—C4166.4 (4)
C6—C1—C2—Ir1122.8 (8)N5—Ir1—C5—C4114.7 (4)
N1—Ir1—C2—C1173.9 (4)C1—Ir1—C5—C4119.0 (6)
N4—Ir1—C2—C193.3 (5)C2—Ir1—C5—C481.1 (4)
N5—Ir1—C2—C15.0 (9)C3—Ir1—C5—C438.4 (4)
C3—Ir1—C2—C1117.7 (7)N1—Ir1—C5—C1099.8 (8)
C4—Ir1—C2—C181.1 (5)N4—Ir1—C5—C1072.3 (8)
C5—Ir1—C2—C137.7 (4)N5—Ir1—C5—C106.6 (8)
N1—Ir1—C2—C356.3 (5)C1—Ir1—C5—C10119.7 (9)
N4—Ir1—C2—C3149.0 (5)C2—Ir1—C5—C10157.6 (9)
N5—Ir1—C2—C3122.6 (6)C3—Ir1—C5—C10159.7 (9)
C1—Ir1—C2—C3117.7 (7)C4—Ir1—C5—C10121.3 (9)
C4—Ir1—C2—C336.5 (5)Ir1—N4—C11—C12179.9 (8)
C5—Ir1—C2—C379.9 (5)C15—N4—C11—C122.2 (14)
N1—Ir1—C2—C766.7 (9)N4—C11—C12—C130.6 (16)
N4—Ir1—C2—C726.1 (9)C11—C12—C13—C143.0 (15)
N5—Ir1—C2—C7114.4 (9)C12—C13—C14—C152.6 (13)
C1—Ir1—C2—C7119.4 (10)Ir1—N4—C15—C14179.4 (5)
C3—Ir1—C2—C7122.9 (11)C11—N4—C15—C142.5 (11)
C4—Ir1—C2—C7159.5 (10)Ir1—N4—C15—C162.3 (7)
C5—Ir1—C2—C7157.1 (10)C11—N4—C15—C16175.7 (7)
Ir1—C2—C3—C460.0 (5)C13—C14—C15—N40.2 (11)
C1—C2—C3—C40.3 (8)C13—C14—C15—C16178.0 (7)
C7—C2—C3—C4172.1 (9)Ir1—N5—C16—C17178.8 (5)
Ir1—C2—C3—C8121.4 (8)C20—N5—C16—C170.6 (9)
C1—C2—C3—C8178.3 (8)Ir1—N5—C16—C150.8 (7)
C7—C2—C3—C86.4 (14)C20—N5—C16—C15177.4 (6)
C1—C2—C3—Ir160.3 (5)N4—C15—C16—N51.0 (8)
C7—C2—C3—Ir1127.8 (9)C14—C15—C16—N5179.3 (6)
N1—Ir1—C3—C2132.2 (5)N4—C15—C16—C17177.0 (6)
N4—Ir1—C3—C244.6 (6)C14—C15—C16—C171.3 (10)
N5—Ir1—C3—C2140.0 (5)N5—C16—C17—C181.1 (10)
C1—Ir1—C3—C237.9 (5)C15—C16—C17—C18176.7 (7)
C4—Ir1—C3—C2119.9 (7)C16—C17—C18—C191.5 (12)
C5—Ir1—C3—C280.9 (5)C17—C18—C19—C201.3 (12)
N1—Ir1—C3—C4107.9 (5)Ir1—N5—C20—C19178.5 (5)
N4—Ir1—C3—C4164.5 (4)C16—N5—C20—C190.4 (10)
N5—Ir1—C3—C420.0 (7)C18—C19—C20—N50.8 (11)
 

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