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In the title compound, [IrCl(C12H12N2)(C15H11N3)](PF6)2, the ligand environment about the Ir atom is distorted octahedral. The 2,2':6',2''-ter­pyridine (terpy) ligand is coordinated in a meridional fashion, the 4,4'-di­methyl-2,2'-bi­pyridine (dmbpy) ligand coordinated in a cis fashion and the Cl atom is trans to one of the dmbpy N atoms. Ir-N bond distances are 1.971 (5)-2.065 (6) Å and the Ir-Cl distance is 2.357 (2) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803019081/ob6287sup1.cif
Contains datablocks General, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803019081/ob6287Isup2.hkl
Contains datablock I

CCDC reference: 225644

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.014 Å
  • R factor = 0.071
  • wR factor = 0.156
  • Data-to-parameter ratio = 16.3

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT702_ALERT_1_A Angle Calc 86.3(7), Rep 95.0(10), Dev.. 12.43 Sigma F8 -P2 -F12 1.555 1.555 1.555 PLAT702_ALERT_1_A Angle Calc 121.6(5), Rep 125.9(6), Dev.. 8.60 Sigma C1 -N3 -C16 1.555 1.555 1.555
Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ir1 - Cl1 = 12.77 su
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.05 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.73 Ratio PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... P1 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... P2 PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor .... 2.05 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 14 PLAT602_ALERT_4_C VERY LARGE Solvent Accessible VOID(S) in Structure ! PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 23 CL1 -IR1 -N4 -C16 -160.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 24 CL1 -IR1 -N4 -C20 16.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 45 N2 -IR1 -N5 -C21 21.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 46 N2 -IR1 -N5 -C25 -160.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 77 N5 -IR1 -N2 -C6 -108.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 78 N5 -IR1 -N2 -C10 72.00 3.00 1.555 1.555 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 F6 P
2 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 17 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 12 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: TEXSAN (Molecular Structure Corporation, 2000); program(s) used to solve structure: SIR92 (Altomare et al., 1992); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: TEXSAN.

(I) top
Crystal data top
[IrCl(C12H12N2)(C15H11N3)](PF6)2Z = 2
Mr = 935.11F(000) = 904
Triclinic, P1Dx = 1.634 Mg m3
a = 10.9819 (1) ÅMo Kα radiation, λ = 0.7107 Å
b = 13.5905 (2) ÅCell parameters from 16650 reflections
c = 14.0636 (3) Åθ = 2.0–30.5°
α = 77.320 (3)°µ = 3.76 mm1
β = 79.481 (3)°T = 296 K
γ = 69.137 (1)°Prism, yellow
V = 1900.96 (6) Å30.30 × 0.15 × 0.10 mm
Data collection top
Rigaku RAXIS-RAPID Imaging Plate
diffractometer
7417 reflections with I > 2σ(I)
Detector resolution: 10.00 pixels mm-1Rint = 0.069
ω scansθmax = 30.5°, θmin = 2.0°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 1515
Tmin = 0.513, Tmax = 0.687k = 1919
21482 measured reflectionsl = 2019
11117 independent reflections
Refinement top
Refinement on F2Only H-atom displacement parameters refined
R[F2 > 2σ(F2)] = 0.071 w = 1/[σ2(Fo2) + (0.1P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.156(Δ/σ)max = 0.024
S = 1.50Δρmax = 2.17 e Å3
7417 reflectionsΔρmin = 1.06 e Å3
456 parameters
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
Ir10.11871 (3)0.20635 (2)0.15412 (2)0.0460 (1)
Cl10.1788 (2)0.2250 (2)0.0169 (2)0.0674 (5)
P10.4094 (3)0.2589 (2)0.1222 (3)0.0819 (8)
P20.5627 (4)0.2049 (3)0.3651 (3)0.101 (1)
F10.4780 (7)0.3107 (7)0.0227 (7)0.139 (3)
F20.4237 (7)0.3739 (5)0.1840 (7)0.134 (3)
F30.5482 (6)0.2704 (6)0.1450 (7)0.131 (3)
F40.3420 (8)0.2034 (6)0.2144 (6)0.127 (2)
F50.3916 (7)0.1444 (5)0.0599 (6)0.116 (2)
F60.2685 (6)0.2467 (5)0.0985 (6)0.108 (2)
F70.5423 (8)0.1910 (8)0.2598 (6)0.150 (3)
F80.586 (1)0.0837 (8)0.4043 (9)0.219 (6)
F90.702 (1)0.196 (2)0.3319 (9)0.278 (9)
F100.510 (2)0.3223 (8)0.336 (1)0.254 (7)
F110.418 (1)0.213 (1)0.392 (1)0.232 (6)
F120.590 (2)0.211 (1)0.4684 (7)0.213 (6)
N10.1550 (7)0.3421 (5)0.1582 (5)0.060 (2)
N20.0548 (6)0.3122 (4)0.1302 (5)0.049 (1)
N30.0247 (6)0.1042 (4)0.1398 (5)0.047 (1)
N40.0793 (6)0.1782 (5)0.3045 (5)0.052 (2)
N50.2970 (6)0.0975 (5)0.1912 (5)0.052 (2)
C10.0752 (8)0.0007 (6)0.1430 (6)0.055 (2)
C20.0015 (9)0.0598 (7)0.1301 (7)0.066 (2)
C30.1298 (9)0.0068 (8)0.1125 (7)0.072 (3)
C40.1830 (8)0.1031 (7)0.1100 (7)0.062 (2)
C50.1052 (7)0.1574 (6)0.1222 (6)0.050 (2)
C60.1513 (7)0.2752 (6)0.1160 (6)0.053 (2)
C70.2739 (8)0.3478 (7)0.0994 (7)0.069 (2)
C80.2941 (9)0.4550 (8)0.0955 (9)0.081 (3)
C90.1961 (10)0.4904 (7)0.1106 (8)0.075 (3)
C100.0747 (8)0.4153 (6)0.1269 (7)0.060 (2)
C110.0465 (10)0.4326 (6)0.1441 (7)0.068 (2)
C120.053 (1)0.5328 (7)0.1459 (8)0.087 (3)
C130.172 (1)0.5385 (9)0.1646 (9)0.099 (4)
C140.278 (1)0.4490 (8)0.1776 (9)0.091 (3)
C150.2679 (10)0.3523 (8)0.1753 (7)0.073 (3)
C160.0343 (9)0.2222 (8)0.3562 (7)0.070 (2)
C170.0570 (10)0.1965 (8)0.4575 (7)0.077 (3)
C180.044 (1)0.1199 (9)0.5077 (7)0.080 (3)
C190.1631 (9)0.0750 (8)0.4540 (7)0.070 (2)
C200.1793 (8)0.1032 (6)0.3523 (6)0.055 (2)
C210.3005 (7)0.0568 (6)0.2905 (6)0.052 (2)
C220.4123 (8)0.0225 (7)0.3250 (7)0.064 (2)
C230.5236 (9)0.0600 (7)0.2582 (8)0.075 (3)
C240.5200 (8)0.0184 (7)0.1612 (7)0.067 (2)
C250.4063 (8)0.0605 (7)0.1305 (7)0.059 (2)
C260.022 (2)0.090 (1)0.6178 (9)0.111 (4)
C270.644 (1)0.146 (1)0.296 (1)0.107 (4)
H10.16540.03680.15400.0623 (3)*
H20.03950.13610.13260.1217 (5)*
H30.18330.04440.10090.0693 (3)*
H40.27350.14080.09960.0836 (4)*
H70.34170.32310.08840.0441 (2)*
H80.38090.50680.08600.1452 (6)*
H90.21000.56430.10760.1643 (7)*
H120.02210.59840.13270.0690 (3)*
H130.17570.60530.17120.1252 (5)*
H140.35850.45550.18740.1060 (5)*
H150.34280.28910.18600.0715 (3)*
H160.10350.27610.32030.0792 (4)*
H170.14220.22960.49300.0770 (4)*
H190.23500.02540.48770.0516 (3)*
H220.41320.05100.39420.1208 (5)*
H240.59570.04200.11400.0768 (4)*
H250.40570.08970.06100.0448 (2)*
H26A0.00280.15230.64790.1021 (5)*
H26B0.10010.03780.64280.1538 (7)*
H26C0.04810.06270.63760.1526 (2)*
H27A0.67700.12370.34260.1059 (5)*
H27B0.71220.16530.24350.0786 (4)*
H27C0.62420.21050.32800.1569 (8)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ir10.0452 (2)0.0413 (2)0.0497 (2)0.0126 (1)0.0145 (1)0.0006 (1)
Cl10.073 (1)0.061 (1)0.063 (1)0.019 (1)0.013 (1)0.0014 (10)
P10.067 (2)0.059 (1)0.121 (3)0.011 (1)0.026 (2)0.021 (1)
P20.103 (2)0.116 (3)0.083 (2)0.042 (2)0.027 (2)0.009 (2)
F10.102 (5)0.139 (6)0.164 (8)0.007 (5)0.027 (5)0.068 (6)
F20.115 (5)0.073 (4)0.197 (9)0.022 (4)0.031 (6)0.005 (4)
F30.074 (4)0.144 (6)0.184 (8)0.023 (4)0.048 (5)0.043 (6)
F40.125 (6)0.120 (5)0.116 (6)0.007 (5)0.022 (5)0.028 (5)
F50.112 (5)0.081 (4)0.155 (7)0.037 (4)0.031 (5)0.005 (4)
F60.072 (4)0.088 (4)0.170 (7)0.022 (3)0.038 (4)0.020 (4)
F70.136 (7)0.221 (9)0.106 (6)0.066 (7)0.045 (5)0.013 (6)
F80.33 (2)0.146 (8)0.22 (1)0.094 (10)0.19 (1)0.039 (8)
F90.136 (8)0.60 (3)0.17 (1)0.19 (1)0.020 (8)0.09 (1)
F100.35 (2)0.107 (7)0.33 (2)0.047 (10)0.17 (2)0.011 (9)
F110.119 (8)0.33 (2)0.22 (1)0.067 (10)0.025 (8)0.04 (1)
F120.37 (2)0.24 (1)0.093 (7)0.18 (1)0.059 (9)0.004 (7)
N10.067 (4)0.050 (4)0.066 (5)0.023 (3)0.023 (4)0.004 (3)
N20.052 (3)0.038 (3)0.048 (4)0.003 (3)0.015 (3)0.005 (3)
N30.041 (3)0.040 (3)0.052 (4)0.005 (3)0.008 (3)0.001 (3)
N40.054 (4)0.048 (3)0.058 (4)0.019 (3)0.013 (3)0.007 (3)
N50.042 (3)0.051 (3)0.063 (4)0.017 (3)0.015 (3)0.000 (3)
C10.056 (5)0.046 (4)0.056 (5)0.011 (4)0.008 (4)0.000 (3)
C20.066 (5)0.058 (5)0.072 (6)0.026 (5)0.003 (5)0.004 (4)
C30.068 (6)0.088 (6)0.077 (7)0.044 (5)0.009 (5)0.014 (5)
C40.048 (4)0.059 (5)0.080 (6)0.016 (4)0.014 (4)0.012 (4)
C50.042 (4)0.053 (4)0.054 (5)0.012 (3)0.007 (3)0.009 (3)
C60.043 (4)0.055 (4)0.053 (5)0.007 (3)0.010 (4)0.006 (3)
C70.050 (5)0.069 (5)0.081 (7)0.005 (4)0.020 (4)0.015 (5)
C80.055 (5)0.066 (6)0.100 (8)0.011 (5)0.019 (5)0.010 (5)
C90.075 (6)0.049 (5)0.095 (8)0.003 (5)0.023 (6)0.016 (5)
C100.063 (5)0.045 (4)0.069 (6)0.011 (4)0.016 (4)0.008 (4)
C110.091 (7)0.048 (4)0.064 (6)0.022 (5)0.022 (5)0.000 (4)
C120.112 (9)0.055 (5)0.090 (8)0.023 (6)0.017 (7)0.005 (5)
C130.14 (1)0.073 (7)0.108 (9)0.064 (8)0.026 (8)0.010 (6)
C140.126 (10)0.067 (6)0.107 (9)0.062 (7)0.029 (7)0.004 (6)
C150.075 (6)0.070 (6)0.079 (7)0.033 (5)0.021 (5)0.006 (5)
C160.057 (5)0.078 (6)0.070 (7)0.013 (5)0.007 (5)0.016 (5)
C170.071 (6)0.098 (7)0.058 (6)0.024 (6)0.002 (5)0.017 (5)
C180.093 (7)0.105 (8)0.049 (6)0.047 (7)0.009 (5)0.004 (5)
C190.067 (6)0.080 (6)0.059 (6)0.022 (5)0.021 (5)0.001 (5)
C200.054 (4)0.057 (4)0.054 (5)0.020 (4)0.018 (4)0.001 (4)
C210.047 (4)0.051 (4)0.057 (5)0.016 (4)0.015 (4)0.000 (4)
C220.058 (5)0.069 (5)0.060 (6)0.020 (4)0.021 (4)0.006 (4)
C230.066 (6)0.063 (5)0.098 (8)0.021 (5)0.034 (6)0.001 (5)
C240.047 (5)0.078 (6)0.070 (6)0.013 (4)0.011 (4)0.009 (5)
C250.049 (4)0.070 (5)0.062 (6)0.024 (4)0.008 (4)0.010 (4)
C260.13 (1)0.14 (1)0.061 (7)0.05 (1)0.022 (7)0.007 (8)
C270.053 (6)0.116 (10)0.12 (1)0.009 (6)0.028 (7)0.004 (8)
Geometric parameters (Å, º) top
Ir1—Cl12.357 (2)C7—C81.38 (1)
Ir1—N12.036 (8)C7—H70.967
Ir1—N21.971 (5)C8—C91.39 (2)
Ir1—N32.062 (7)C8—H80.975
Ir1—N42.057 (7)C9—C101.38 (1)
Ir1—N52.065 (6)C9—H90.953
P1—F11.64 (1)C10—C111.50 (2)
P1—F21.582 (7)C11—C121.39 (2)
P1—F31.560 (9)C12—C131.41 (2)
P1—F41.574 (9)C12—H120.985
P1—F51.573 (7)C13—C141.36 (2)
P1—F61.586 (8)C13—H130.947
P2—F71.60 (1)C14—C151.37 (2)
P2—F81.56 (1)C14—H140.952
P2—F91.48 (1)C15—H150.961
P2—F101.481 (10)C16—C171.39 (1)
P2—F111.53 (1)C16—H160.975
P2—F121.56 (1)C17—C181.40 (1)
N1—C111.381 (10)C17—H170.977
N1—C151.36 (1)C18—C191.39 (1)
N2—C61.38 (1)C18—C261.51 (2)
N2—C101.33 (1)C19—C201.39 (1)
N3—C11.327 (9)C19—H190.960
N3—C51.391 (9)C20—C211.46 (1)
N4—C161.33 (1)C21—C221.40 (1)
N4—C201.367 (9)C22—C231.41 (1)
N5—C211.39 (1)C22—H220.966
N5—C251.344 (10)C23—C241.36 (1)
C1—C21.38 (2)C23—C271.51 (1)
C1—H10.960C24—C251.39 (1)
C2—C31.40 (1)C24—H240.968
C2—H20.965C25—H250.971
C3—C41.39 (1)C26—H26A0.965
C3—H30.958C26—H26B0.964
C4—C51.36 (1)C26—H26C0.947
C4—H40.964C27—H27A0.946
C5—C61.49 (1)C27—H27B0.966
C6—C71.38 (1)C27—H27C0.971
Cl1···F3i3.387 (8)F7···C4v3.34 (1)
F1···C7ii3.29 (2)F8···C19vi3.48 (2)
F1···C8iii3.36 (1)F9···C16v3.13 (2)
F1···C15i3.55 (1)F9···C6v3.32 (1)
F2···C14iv3.35 (2)F9···C5v3.33 (1)
F2···C8iii3.36 (1)F9···C17v3.45 (2)
F2···C13iv3.44 (2)F9···C4v3.47 (2)
F3···C9iii3.52 (1)F9···C7v3.49 (2)
F5···C25i3.42 (1)F12···C22vi3.43 (1)
F5···C4ii3.43 (1)C1···C26vii3.43 (1)
F5···C24i3.59 (1)C1···C3ii3.52 (1)
F6···C4ii3.24 (1)C2···C26vii3.45 (2)
F6···C13iv3.34 (2)C2···C3ii3.50 (1)
F6···C7ii3.35 (1)
Cl1—Ir1—N190.9 (2)N2—C6—C5112.6 (6)
Cl1—Ir1—N288.8 (2)N2—C6—C7118.9 (8)
Cl1—Ir1—N387.9 (2)C5—C6—C7128.5 (9)
Cl1—Ir1—N4175.2 (2)C6—C7—C8118.4 (10)
Cl1—Ir1—N595.8 (2)C6—C7—H7119.6
N1—Ir1—N280.5 (3)C8—C7—H7121.9
N1—Ir1—N3161.6 (2)C7—C8—C9121.8 (8)
N1—Ir1—N491.3 (3)C7—C8—H8119.2
N1—Ir1—N598.1 (3)C9—C8—H8118.9
N2—Ir1—N381.2 (2)C8—C9—C10118.0 (9)
N2—Ir1—N495.8 (2)C8—C9—H9121.7
N2—Ir1—N5175.2 (3)C10—C9—H9120.2
N3—Ir1—N491.4 (3)N2—C10—C9120.3 (9)
N3—Ir1—N5100.3 (3)N2—C10—C11111.3 (6)
N4—Ir1—N579.6 (2)C9—C10—C11128.4 (8)
F1—P1—F290.7 (5)N1—C11—C10116.0 (8)
F1—P1—F389.1 (5)N1—C11—C12120 (1)
F1—P1—F4177.1 (4)C10—C11—C12123.6 (8)
F1—P1—F589.2 (4)C11—C12—C13118.2 (9)
F1—P1—F690.7 (5)C11—C12—H12121.4
F2—P1—F389.6 (4)C13—C12—H12120.3
F2—P1—F492.2 (5)C12—C13—C14120 (1)
F2—P1—F5178.4 (5)C12—C13—H13118.7
F2—P1—F690.7 (4)C14—C13—H13120.6
F3—P1—F491.3 (5)C13—C14—C15119 (1)
F3—P1—F591.9 (4)C13—C14—H14118.9
F3—P1—F6179.7 (5)C15—C14—H14121.8
F4—P1—F587.9 (4)N1—C15—C14122.5 (8)
F4—P1—F688.9 (5)N1—C15—H15118.6
F5—P1—F687.8 (4)C14—C15—H15118.9
F7—P2—F890.7 (7)N4—C16—C17123.3 (8)
F7—P2—F991.3 (7)N4—C16—H16117.3
F7—P2—F1089.3 (8)C17—C16—H16119.4
F7—P2—F1184.5 (7)C16—C17—C18118.4 (8)
F7—P2—F12176.2 (6)C16—C17—H17121.1
F8—P2—F996.8 (10)C18—C17—H17120.5
F8—P2—F10167.6 (9)C17—C18—C19118.3 (8)
F8—P2—F1183.2 (8)C17—C18—C26119.6 (9)
F8—P2—F1295 (1)C19—C18—C26122.1 (10)
F9—P2—F11175.7 (9)C18—C19—C20120.5 (8)
F9—P2—F1286.9 (8)C18—C19—H19119.4
F10—P2—F1184.5 (9)C20—C19—H19120.1
F10—P2—F1294.2 (8)N4—C20—C19120.3 (7)
F11—P2—F1297.4 (8)N4—C20—C21116.1 (7)
Ir1—N1—C11112.6 (7)C19—C20—C21123.6 (7)
Ir1—N1—C15128.5 (5)N5—C21—C20114.4 (6)
C11—N1—C15118.9 (8)N5—C21—C22120.8 (7)
Ir1—N2—C6117.8 (4)C20—C21—C22124.8 (7)
Ir1—N2—C10119.6 (6)C21—C22—C23119.5 (8)
C6—N2—C10122.6 (6)C21—C22—H22120.1
Ir1—N3—C1127.6 (6)C23—C22—H22120.4
Ir1—N3—C5112.6 (5)C22—C23—C24119.3 (8)
C1—N3—C16125.9 (6)C22—C23—C27118.9 (10)
Ir1—N4—C20114.9 (5)C24—C23—C27121.8 (9)
C16—N4—C20119.1 (7)C23—C24—C25119.1 (8)
Ir1—N5—C21114.8 (4)C23—C24—H24120.8
Ir1—N5—C25127.6 (5)C25—C24—H24120.1
C21—N5—C25117.6 (6)N5—C25—C24123.8 (8)
N3—C1—C2121.8 (7)N5—C25—H25118.3
N3—C1—H1119.4C24—C25—H25117.9
C2—C1—H1118.8C18—C26—H26A109.9
C1—C2—C3118.8 (8)C18—C26—H26B110.8
C1—C2—H2120.8C18—C26—H26C111.7
C3—C2—H2120.3H26A—C26—H26B107.1
C2—C3—C4119 (1)H26A—C26—H26C108.5
C2—C3—H3121.4H26B—C26—H26C108.6
C4—C3—H3119.2C23—C27—H27A111.9
C3—C4—C5119.1 (8)C23—C27—H27B110.8
C3—C4—H4120.8C23—C27—H27C111.1
C5—C4—H4120.1H27A—C27—H27B108.5
N3—C5—C4121.1 (7)H27A—C27—H27C108.0
N3—C5—C6115.8 (8)H27B—C27—H27C106.4
C4—C5—C6123.1 (6)
Ir1—N1—C11—C101.1 (9)N4—Ir1—N1—C1582.9 (8)
Ir1—N1—C11—C12179.2 (7)N4—Ir1—N2—C690.5 (6)
Ir1—N1—C15—C14178.9 (8)N4—Ir1—N2—C1090.4 (6)
Ir1—N2—C6—C50.3 (8)N4—Ir1—N3—C186.5 (6)
Ir1—N2—C6—C7179.8 (6)N4—Ir1—N3—C595.4 (5)
Ir1—N2—C10—C9179.7 (7)N4—Ir1—N5—C213.6 (6)
Ir1—N2—C10—C110.6 (9)N4—Ir1—N5—C25178.5 (9)
Ir1—N3—C1—C2178.5 (6)N4—C16—C17—C180 (1)
Ir1—N3—C5—C4179.5 (6)N4—C20—C19—C182 (1)
Ir1—N3—C5—C60.6 (8)N4—C20—C21—N51 (1)
Ir1—N4—C16—C17177.1 (9)N4—C20—C21—C22178.4 (9)
Ir1—N4—C20—C19178.2 (8)N5—Ir1—N1—C11174.8 (6)
Ir1—N4—C20—C212 (1)N5—Ir1—N1—C153.2 (8)
Ir1—N5—C21—C203 (1)N5—Ir1—N2—C6108 (3)
Ir1—N5—C21—C22175.9 (8)N5—Ir1—N2—C1072 (3)
Ir1—N5—C25—C24175.6 (8)N5—Ir1—N3—C16.9 (7)
Cl1—Ir1—N1—C1189.2 (6)N5—Ir1—N3—C5175.1 (5)
Cl1—Ir1—N1—C1592.8 (8)N5—Ir1—N4—C16179.7 (9)
Cl1—Ir1—N2—C688.0 (5)N5—Ir1—N4—C203.0 (7)
Cl1—Ir1—N2—C1091.1 (6)N5—C21—C20—C19178.7 (10)
Cl1—Ir1—N3—C188.7 (6)N5—C21—C22—C231 (1)
Cl1—Ir1—N3—C589.4 (5)N5—C25—C24—C231 (1)
Cl1—Ir1—N4—C16160 (2)C1—N3—C5—C41 (1)
Cl1—Ir1—N4—C2016 (3)C1—N3—C5—C6177.7 (7)
Cl1—Ir1—N5—C21174.8 (6)C1—C2—C3—C40 (1)
Cl1—Ir1—N5—C253.1 (8)C2—C1—N3—C50 (1)
N1—Ir1—N2—C6179.1 (6)C2—C3—C4—C51 (1)
N1—Ir1—N2—C100.0 (6)C3—C4—C5—C6177.0 (8)
N1—Ir1—N3—C1175.1 (8)C4—C5—C6—C71 (1)
N1—Ir1—N3—C52 (1)C5—C6—N2—C10179.4 (7)
N1—Ir1—N4—C1682.3 (9)C5—C6—C7—C8179.2 (9)
N1—Ir1—N4—C20101.0 (7)C6—N2—C10—C91 (1)
N1—Ir1—N5—C2193.4 (6)C6—N2—C10—C11179.7 (7)
N1—Ir1—N5—C2588.7 (8)C6—C7—C8—C91 (1)
N1—C11—C10—N21 (1)C7—C6—N2—C101 (1)
N1—C11—C10—C9179.9 (9)C7—C8—C9—C102 (1)
N1—C11—C12—C131 (1)C8—C9—C10—C11179.4 (9)
N1—C15—C14—C131 (1)C9—C10—C11—C120 (1)
N2—Ir1—N1—C110.6 (6)C10—C11—N1—C15179.3 (8)
N2—Ir1—N1—C15178.6 (8)C10—C11—C12—C13178.9 (10)
N2—Ir1—N3—C1177.8 (7)C11—N1—C15—C141 (1)
N2—Ir1—N3—C50.3 (5)C11—C12—C13—C141 (1)
N2—Ir1—N4—C161.8 (9)C12—C11—N1—C151 (1)
N2—Ir1—N4—C20178.5 (7)C12—C13—C14—C151 (1)
N2—Ir1—N5—C2121 (3)C16—N4—C20—C191 (1)
N2—Ir1—N5—C25160 (3)C16—N4—C20—C21179.0 (9)
N2—C6—C5—N30.6 (9)C16—C17—C18—C191 (1)
N2—C6—C5—C4179.5 (8)C16—C17—C18—C26179 (1)
N2—C6—C7—C81 (1)C17—C16—N4—C200 (1)
N2—C10—C9—C81 (1)C17—C18—C19—C202 (1)
N2—C10—C11—C12179.2 (9)C18—C19—C20—C21178 (1)
N3—Ir1—N1—C113 (1)C19—C20—C21—C221 (1)
N3—Ir1—N1—C15178.8 (7)C20—C19—C18—C26179 (1)
N3—Ir1—N2—C60.0 (5)C20—C21—N5—C25178.3 (9)
N3—Ir1—N2—C10179.1 (6)C20—C21—C22—C23179 (1)
N3—Ir1—N4—C1679.5 (9)C21—N5—C25—C242 (1)
N3—Ir1—N4—C2097.2 (7)C21—C22—C23—C240 (1)
N3—Ir1—N5—C2186.0 (6)C21—C22—C23—C27179 (1)
N3—Ir1—N5—C2592.0 (8)C22—C21—N5—C252 (1)
N3—C1—C2—C30 (1)C22—C23—C24—C250 (1)
N3—C5—C4—C31 (1)C25—C24—C23—C27179 (1)
N3—C5—C6—C7180.0 (8)C25—C24—C23—C27179 (1)
N4—Ir1—N1—C1195.1 (6)
Symmetry codes: (i) x+1, y, z; (ii) x, y, z; (iii) x+1, y1, z; (iv) x, y1, z; (v) x+1, y, z; (vi) x+1, y, z+1; (vii) x, y, z+1.
 

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