Chloro­bis­[2-(2-pyridyl)­phenyl-κ²N,C¹](tri­phenyl­phosphine-κP)­iridium(III) di­chloro­methane sesquisolvate

In the title compound, [Ir(C₁₁H₈N)₂Cl(C₁₈H₁₅P)]·1.5CH₂Cl₂, the Ir^III atom is octahedrally coordinated by one Cl atom, one tri­phenyl­phosphine P atom and two N,C-bidentate 2-phenyl­pyridine (ppy) ligands. The crystal structure contains three di­chloro­methane solvent mol­ecules for every two complex mol­ecules.

Key indicators

• Single-crystal X-ray study
• T = 193 K
• Mean [sigma](C-C) = 0.013 Å
• Disorder in solvent or counterion
• R factor = 0.051
• wR factor = 0.120
• Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent .........          1
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C41
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      14.00 Perc.
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
   7 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
   0 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
   2 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1994); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: MSC/AFC Diffractometer Control Software; program(s) used to solve structure: SHELXS97 (Sheldrisck, 1997); program(s) used to refine structure: SHELXL97 (Sheldrisck, 1997); molecular graphics: XP (Siemens, 1990); software used to prepare material for publication: SHELXL97.

Chlorobis[2-(2-pyridyl)phenyl-κ²N,C¹](triphenylphosphine- κP)iridium(III)–dichloromethane (2/3)

Crystal data

[Ir(C11H8N)2Cl(C18H15P)]·1.5CH2Cl2	F(000) = 1828
Mr = 925.68	Dx = 1.666 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 23091 reflections
a = 10.128 (2) Å	θ = 2.5–25.0°
b = 15.038 (3) Å	µ = 3.98 mm^−1
c = 24.586 (5) Å	T = 193 K
β = 99.70 (3)°	Block, colorless
V = 3691.0 (13) Å^3	0.50 × 0.20 × 0.10 mm
Z = 4

Data collection

Rigaku R-AXIS RAPID IP diffractometer	6481 independent reflections
Radiation source: fine-focus sealed tube	4616 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.087
oscillation scans	θmax = 25.0°, θmin = 2.5°
Absorption correction: empirical (ABSCOR; Higashi, 1995)	h = −12→12
Tmin = 0.241, Tmax = 0.671	k = 0→17
12219 measured reflections	l = −29→29

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.051	H-atom parameters constrained
wR(F^2) = 0.120	w = 1/[σ^2(Fo^2) + (0.0617P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.96	(Δ/σ)max = 0.004
6481 reflections	Δρmax = 2.11 e Å^−3
442 parameters	Δρmin = −2.76 e Å^−3
1 restraint	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0031 (2)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ir1	0.24759 (3)	0.108667 (19)	0.167964 (12)	0.02834 (13)
Cl1	0.48055 (18)	0.14616 (14)	0.21394 (9)	0.0404 (5)
Cl2	0.6229 (4)	0.6365 (3)	0.10660 (15)	0.1131 (13)
Cl3	0.3407 (4)	0.6283 (3)	0.10448 (19)	0.1298 (16)
Cl4	0.1361 (5)	0.4958 (3)	−0.0158 (2)	0.1438 (16)*
P4	0.24985 (18)	0.23492 (13)	0.10673 (8)	0.0288 (4)
N1	0.3224 (5)	0.0151 (4)	0.1211 (3)	0.0336 (15)
N2	0.1563 (6)	0.1855 (4)	0.2193 (3)	0.0348 (15)
C1	0.4094 (7)	0.2663 (5)	0.0855 (3)	0.0338 (18)
C2	0.4259 (7)	0.3510 (5)	0.0654 (3)	0.0376 (19)
H2	0.3548	0.3926	0.0636	0.045*
C3	0.5434 (8)	0.3765 (6)	0.0481 (4)	0.045 (2)
H3	0.5530	0.4352	0.0350	0.054*
C4	0.6460 (8)	0.3162 (6)	0.0499 (3)	0.044 (2)
H4	0.7262	0.3330	0.0374	0.053*
C5	0.6333 (7)	0.2323 (6)	0.0696 (3)	0.042 (2)
H5	0.7043	0.1907	0.0706	0.051*
C6	0.5151 (7)	0.2077 (5)	0.0883 (3)	0.0365 (19)
H6	0.5078	0.1499	0.1031	0.044*
C7	0.2083 (7)	0.3391 (5)	0.1380 (3)	0.0311 (17)
C8	0.3078 (9)	0.3779 (5)	0.1765 (4)	0.045 (2)
H8	0.3944	0.3517	0.1836	0.054*
C9	0.2830 (10)	0.4539 (6)	0.2047 (4)	0.057 (2)
H9	0.3518	0.4790	0.2314	0.068*
C10	0.1585 (11)	0.4932 (7)	0.1942 (5)	0.072 (3)
H10	0.1403	0.5454	0.2135	0.087*
C11	0.0625 (10)	0.4562 (7)	0.1559 (4)	0.063 (3)
H11	−0.0224	0.4845	0.1474	0.075*
C12	0.0847 (9)	0.3788 (6)	0.1291 (4)	0.052 (2)
H12	0.0136	0.3526	0.1041	0.062*
C13	0.1362 (7)	0.2315 (5)	0.0396 (3)	0.0326 (18)
C14	0.1772 (8)	0.2509 (6)	−0.0105 (3)	0.044 (2)
H14	0.2680	0.2666	−0.0107	0.052*
C15	0.0892 (9)	0.2479 (6)	−0.0597 (4)	0.054 (2)
H15	0.1195	0.2613	−0.0933	0.065*
C16	−0.0442 (9)	0.2252 (6)	−0.0601 (4)	0.055 (3)
H16	−0.1053	0.2235	−0.0939	0.066*
C17	−0.0868 (8)	0.2054 (6)	−0.0118 (3)	0.045 (2)
H17	−0.1779	0.1903	−0.0120	0.054*
C18	0.0027 (7)	0.2073 (6)	0.0378 (4)	0.045 (2)
H18	−0.0278	0.1918	0.0711	0.054*
C19	0.3309 (8)	0.0189 (6)	0.0666 (3)	0.0376 (19)
H19	0.2967	0.0706	0.0468	0.045*
C20	0.3836 (8)	−0.0445 (6)	0.0384 (4)	0.051 (2)
H20	0.3850	−0.0378	0.0001	0.061*
C21	0.4353 (9)	−0.1189 (7)	0.0660 (4)	0.055 (3)
H21	0.4778	−0.1631	0.0474	0.066*
C22	0.4256 (8)	−0.1293 (6)	0.1201 (4)	0.050 (2)
H22	0.4610	−0.1814	0.1390	0.060*
C23	0.3634 (7)	−0.0636 (5)	0.1489 (4)	0.037 (2)
C24	0.3340 (7)	−0.0692 (5)	0.2035 (3)	0.0340 (18)
C25	0.3664 (7)	−0.1435 (6)	0.2372 (4)	0.044 (2)
H25	0.4112	−0.1926	0.2242	0.053*
C26	0.3334 (8)	−0.1453 (6)	0.2894 (4)	0.047 (2)
H26	0.3576	−0.1950	0.3128	0.057*
C27	0.2649 (8)	−0.0746 (6)	0.3075 (4)	0.050 (2)
H27	0.2405	−0.0760	0.3432	0.060*
C28	0.2320 (8)	−0.0011 (6)	0.2732 (4)	0.044 (2)
H28	0.1829	0.0462	0.2859	0.052*
C29	0.2677 (7)	0.0052 (5)	0.2219 (3)	0.0334 (18)
C30	0.2177 (9)	0.2429 (6)	0.2576 (4)	0.047 (2)
H30	0.3125	0.2471	0.2625	0.057*
C31	0.1518 (11)	0.2954 (7)	0.2897 (4)	0.063 (3)
H31	0.1994	0.3356	0.3157	0.075*
C32	0.0134 (11)	0.2883 (7)	0.2834 (4)	0.065 (3)
H32	−0.0358	0.3257	0.3038	0.078*
C33	−0.0509 (10)	0.2273 (7)	0.2477 (4)	0.061 (3)
H33	−0.1450	0.2196	0.2446	0.073*
C34	0.0206 (8)	0.1762 (6)	0.2155 (3)	0.040 (2)
C35	−0.0353 (8)	0.1101 (6)	0.1749 (4)	0.045 (2)
C36	−0.1716 (8)	0.0852 (7)	0.1635 (5)	0.061 (3)
H36	−0.2333	0.1133	0.1832	0.073*
C37	−0.2170 (9)	0.0224 (8)	0.1253 (5)	0.071 (3)
H37	−0.3086	0.0052	0.1194	0.085*
C38	−0.1293 (9)	−0.0164 (6)	0.0949 (4)	0.061 (3)
H38	−0.1614	−0.0594	0.0675	0.073*
C39	0.0058 (8)	0.0070 (6)	0.1041 (4)	0.050 (2)
H39	0.0654	−0.0210	0.0834	0.060*
C40	0.0546 (8)	0.0714 (5)	0.1436 (3)	0.0362 (19)
C41	0.4973 (11)	0.5900 (8)	0.1377 (5)	0.078 (3)
H41A	0.5108	0.6067	0.1772	0.093*
H41B	0.5008	0.5243	0.1353	0.093*
C42	0.0253 (19)	0.5431 (16)	0.0216 (9)	0.093 (8)*	0.50
H42A	0.0196	0.6071	0.0122	0.111*	0.50
H42B	0.0662	0.5389	0.0610	0.111*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ir1	0.02880 (18)	0.02670 (18)	0.0299 (2)	0.00083 (13)	0.00607 (12)	0.00221 (15)
Cl1	0.0346 (10)	0.0426 (11)	0.0423 (12)	−0.0069 (9)	0.0013 (9)	0.0040 (10)
Cl2	0.107 (3)	0.145 (3)	0.088 (2)	−0.035 (2)	0.020 (2)	0.027 (2)
Cl3	0.093 (2)	0.137 (3)	0.148 (4)	−0.013 (2)	−0.013 (2)	0.062 (3)
P4	0.0279 (9)	0.0270 (10)	0.0311 (11)	0.0001 (8)	0.0042 (8)	0.0028 (9)
N1	0.021 (3)	0.030 (3)	0.049 (4)	0.003 (3)	0.001 (3)	−0.001 (3)
N2	0.036 (3)	0.038 (4)	0.035 (4)	0.005 (3)	0.019 (3)	0.006 (3)
C1	0.027 (4)	0.039 (4)	0.034 (4)	0.001 (3)	0.001 (3)	0.005 (4)
C2	0.038 (4)	0.036 (4)	0.040 (5)	0.007 (4)	0.009 (4)	0.002 (4)
C3	0.047 (5)	0.045 (5)	0.046 (5)	−0.018 (4)	0.013 (4)	0.006 (4)
C4	0.034 (4)	0.047 (5)	0.053 (6)	−0.006 (4)	0.016 (4)	−0.002 (5)
C5	0.029 (4)	0.051 (5)	0.047 (5)	0.005 (4)	0.009 (4)	−0.003 (5)
C6	0.044 (4)	0.036 (4)	0.031 (4)	0.003 (4)	0.010 (4)	0.004 (4)
C7	0.032 (4)	0.031 (4)	0.032 (4)	0.000 (3)	0.009 (3)	0.001 (4)
C8	0.048 (5)	0.041 (5)	0.048 (5)	−0.004 (4)	0.011 (4)	−0.006 (4)
C9	0.066 (6)	0.048 (6)	0.058 (6)	−0.010 (5)	0.018 (5)	−0.005 (5)
C10	0.093 (8)	0.047 (6)	0.082 (8)	0.007 (6)	0.031 (7)	−0.023 (6)
C11	0.059 (6)	0.056 (6)	0.080 (8)	0.013 (5)	0.030 (5)	−0.021 (6)
C12	0.047 (5)	0.047 (5)	0.065 (6)	0.005 (4)	0.016 (5)	−0.005 (5)
C13	0.033 (4)	0.025 (4)	0.035 (5)	0.007 (3)	−0.005 (3)	0.000 (4)
C14	0.041 (4)	0.055 (5)	0.035 (5)	0.000 (4)	0.005 (4)	0.000 (4)
C15	0.052 (5)	0.072 (7)	0.037 (5)	−0.006 (5)	0.006 (4)	−0.004 (5)
C16	0.051 (5)	0.066 (6)	0.041 (6)	0.002 (5)	−0.009 (4)	−0.005 (5)
C17	0.040 (4)	0.052 (5)	0.039 (5)	−0.008 (4)	−0.008 (4)	0.004 (5)
C18	0.031 (4)	0.052 (5)	0.053 (6)	−0.011 (4)	0.008 (4)	0.003 (5)
C19	0.042 (4)	0.039 (5)	0.033 (4)	−0.005 (4)	0.011 (4)	−0.003 (4)
C20	0.053 (5)	0.057 (6)	0.046 (6)	−0.010 (5)	0.017 (4)	−0.007 (5)
C21	0.054 (5)	0.060 (6)	0.052 (6)	0.009 (5)	0.013 (5)	−0.022 (5)
C22	0.045 (5)	0.037 (5)	0.068 (7)	0.013 (4)	0.010 (5)	−0.007 (5)
C23	0.025 (4)	0.032 (4)	0.052 (5)	−0.006 (3)	0.000 (4)	−0.001 (4)
C24	0.027 (4)	0.035 (4)	0.037 (5)	−0.004 (3)	−0.003 (3)	0.001 (4)
C25	0.034 (4)	0.035 (4)	0.059 (6)	0.001 (4)	0.000 (4)	0.013 (5)
C26	0.038 (4)	0.042 (5)	0.056 (6)	−0.002 (4)	−0.008 (4)	0.024 (5)
C27	0.045 (5)	0.055 (6)	0.051 (6)	0.001 (4)	0.013 (4)	0.030 (5)
C28	0.039 (4)	0.048 (5)	0.046 (5)	0.003 (4)	0.012 (4)	0.005 (5)
C29	0.021 (3)	0.034 (4)	0.049 (5)	0.004 (3)	0.015 (3)	0.005 (4)
C30	0.063 (6)	0.039 (5)	0.043 (5)	0.005 (4)	0.019 (4)	0.003 (5)
C31	0.098 (8)	0.056 (6)	0.039 (5)	0.011 (6)	0.026 (5)	0.000 (5)
C32	0.086 (8)	0.060 (7)	0.055 (7)	0.031 (6)	0.033 (6)	0.008 (6)
C33	0.065 (6)	0.062 (7)	0.061 (7)	0.030 (6)	0.030 (5)	0.022 (6)
C34	0.048 (5)	0.036 (4)	0.040 (5)	0.014 (4)	0.019 (4)	0.018 (4)
C35	0.037 (4)	0.048 (5)	0.052 (5)	0.011 (4)	0.015 (4)	0.025 (5)
C36	0.030 (5)	0.073 (7)	0.081 (8)	0.010 (5)	0.012 (5)	0.040 (7)
C37	0.032 (5)	0.074 (8)	0.100 (9)	−0.010 (5)	−0.007 (6)	0.034 (7)
C38	0.045 (5)	0.053 (6)	0.076 (7)	−0.012 (5)	−0.018 (5)	0.011 (6)
C39	0.042 (5)	0.040 (5)	0.065 (6)	−0.001 (4)	0.002 (4)	−0.005 (5)
C40	0.044 (4)	0.030 (4)	0.033 (5)	−0.002 (4)	0.003 (4)	0.013 (4)
C41	0.095 (8)	0.072 (8)	0.066 (8)	−0.009 (7)	0.014 (6)	−0.003 (6)

Geometric parameters (Å, º)

Ir1—C40	2.024 (7)	C17—C18	1.393 (11)
Ir1—C29	2.031 (8)	C17—H17	0.9500
Ir1—N1	2.043 (6)	C18—H18	0.9500
Ir1—N2	2.044 (6)	C19—C20	1.341 (11)
Ir1—P4	2.426 (2)	C19—H19	0.9500
Ir1—Cl1	2.5028 (19)	C20—C21	1.365 (13)
Cl2—C41	1.738 (12)	C20—H20	0.9500
Cl3—C41	1.754 (12)	C21—C22	1.360 (13)
Cl4—C42	1.721 (10)	C21—H21	0.9500
Cl4—C42^i	1.72 (2)	C22—C23	1.423 (12)
P4—C7	1.825 (8)	C22—H22	0.9500
P4—C1	1.842 (8)	C23—C24	1.427 (11)
P4—C13	1.846 (7)	C24—C25	1.396 (11)
N1—C19	1.360 (10)	C24—C29	1.417 (11)
N1—C23	1.394 (10)	C25—C26	1.380 (12)
N2—C30	1.348 (10)	C25—H25	0.9500
N2—C34	1.369 (10)	C26—C27	1.384 (13)
C1—C6	1.379 (10)	C26—H26	0.9500
C1—C2	1.386 (11)	C27—C28	1.395 (11)
C2—C3	1.384 (11)	C27—H27	0.9500
C2—H2	0.9500	C28—C29	1.374 (11)
C3—C4	1.374 (11)	C28—H28	0.9500
C3—H3	0.9500	C30—C31	1.368 (12)
C4—C5	1.365 (11)	C30—H30	0.9500
C4—H4	0.9500	C31—C32	1.388 (14)
C5—C6	1.402 (11)	C31—H31	0.9500
C5—H5	0.9500	C32—C33	1.358 (14)
C6—H6	0.9500	C32—H32	0.9500
C7—C12	1.371 (10)	C33—C34	1.390 (12)
C7—C8	1.390 (11)	C33—H33	0.9500
C8—C9	1.381 (12)	C34—C35	1.456 (12)
C8—H8	0.9500	C35—C36	1.412 (12)
C9—C10	1.378 (13)	C35—C40	1.412 (12)
C9—H9	0.9500	C36—C37	1.358 (15)
C10—C11	1.353 (13)	C36—H36	0.9500
C10—H10	0.9500	C37—C38	1.383 (15)
C11—C12	1.375 (12)	C37—H37	0.9500
C11—H11	0.9500	C38—C39	1.394 (11)
C12—H12	0.9500	C38—H38	0.9500
C13—C18	1.394 (10)	C39—C40	1.401 (11)
C13—C14	1.396 (11)	C39—H39	0.9500
C14—C15	1.376 (11)	C41—H41A	0.9900
C14—H14	0.9500	C41—H41B	0.9900
C15—C16	1.392 (12)	C42—Cl4^i	1.72 (2)
C15—H15	0.9500	C42—H42A	0.9900
C16—C17	1.362 (12)	C42—H42B	0.9900
C16—H16	0.9500
C40—Ir1—C29	88.1 (3)	C13—C18—H18	119.4
C40—Ir1—N1	94.2 (3)	C17—C18—H18	119.4
C29—Ir1—N1	80.5 (3)	C20—C19—N1	125.2 (8)
C40—Ir1—N2	79.9 (3)	C20—C19—H19	117.4
C29—Ir1—N2	92.0 (3)	N1—C19—H19	117.4
N1—Ir1—N2	170.7 (2)	C19—C20—C21	118.6 (9)
C40—Ir1—P4	98.2 (2)	C19—C20—H20	120.7
C29—Ir1—P4	173.7 (2)	C21—C20—H20	120.7
N1—Ir1—P4	98.41 (19)	C20—C21—C22	119.7 (9)
N2—Ir1—P4	89.64 (18)	C20—C21—H21	120.2
C40—Ir1—Cl1	170.3 (2)	C22—C21—H21	120.2
C29—Ir1—Cl1	83.9 (2)	C21—C22—C23	121.2 (9)
N1—Ir1—Cl1	89.93 (16)	C21—C22—H22	119.4
N2—Ir1—Cl1	94.81 (18)	C23—C22—H22	119.4
P4—Ir1—Cl1	89.84 (7)	N1—C23—C22	117.8 (8)
C42—Cl4—C42^i	59.2 (13)	N1—C23—C24	114.8 (7)
C7—P4—C1	100.1 (3)	C22—C23—C24	127.5 (8)
C7—P4—C13	104.3 (3)	C25—C24—C29	121.4 (8)
C1—P4—C13	101.4 (4)	C25—C24—C23	122.6 (8)
C7—P4—Ir1	112.5 (3)	C29—C24—C23	116.0 (7)
C1—P4—Ir1	118.5 (2)	C26—C25—C24	119.8 (8)
C13—P4—Ir1	117.6 (2)	C26—C25—H25	120.1
C19—N1—C23	117.1 (7)	C24—C25—H25	120.1
C19—N1—Ir1	128.2 (5)	C27—C26—C25	119.8 (8)
C23—N1—Ir1	114.6 (6)	C27—C26—H26	120.1
C30—N2—C34	116.9 (7)	C25—C26—H26	120.1
C30—N2—Ir1	126.1 (6)	C26—C27—C28	119.7 (9)
C34—N2—Ir1	117.0 (5)	C26—C27—H27	120.1
C6—C1—C2	117.8 (7)	C28—C27—H27	120.1
C6—C1—P4	122.2 (6)	C29—C28—C27	122.5 (9)
C2—C1—P4	120.0 (6)	C29—C28—H28	118.7
C3—C2—C1	121.7 (8)	C27—C28—H28	118.7
C3—C2—H2	119.1	C28—C29—C24	116.7 (8)
C1—C2—H2	119.1	C28—C29—Ir1	129.8 (6)
C4—C3—C2	119.4 (8)	C24—C29—Ir1	113.4 (6)
C4—C3—H3	120.3	N2—C30—C31	124.0 (9)
C2—C3—H3	120.3	N2—C30—H30	118.0
C5—C4—C3	120.4 (8)	C31—C30—H30	118.0
C5—C4—H4	119.8	C30—C31—C32	118.2 (10)
C3—C4—H4	119.8	C30—C31—H31	120.9
C4—C5—C6	119.8 (8)	C32—C31—H31	120.9
C4—C5—H5	120.1	C33—C32—C31	119.4 (10)
C6—C5—H5	120.1	C33—C32—H32	120.3
C1—C6—C5	120.9 (8)	C31—C32—H32	120.3
C1—C6—H6	119.6	C32—C33—C34	120.1 (10)
C5—C6—H6	119.6	C32—C33—H33	120.0
C12—C7—C8	117.6 (7)	C34—C33—H33	120.0
C12—C7—P4	125.2 (6)	N2—C34—C33	121.2 (9)
C8—C7—P4	117.1 (6)	N2—C34—C35	112.7 (7)
C9—C8—C7	121.1 (8)	C33—C34—C35	126.0 (8)
C9—C8—H8	119.4	C36—C35—C40	118.8 (9)
C7—C8—H8	119.4	C36—C35—C34	124.8 (9)
C10—C9—C8	120.0 (9)	C40—C35—C34	116.3 (7)
C10—C9—H9	120.0	C37—C36—C35	121.8 (10)
C8—C9—H9	120.0	C37—C36—H36	119.1
C11—C10—C9	118.8 (9)	C35—C36—H36	119.1
C11—C10—H10	120.6	C36—C37—C38	119.7 (9)
C9—C10—H10	120.6	C36—C37—H37	120.2
C10—C11—C12	121.7 (9)	C38—C37—H37	120.2
C10—C11—H11	119.2	C37—C38—C39	120.5 (10)
C12—C11—H11	119.2	C37—C38—H38	119.7
C7—C12—C11	120.8 (9)	C39—C38—H38	119.7
C7—C12—H12	119.6	C38—C39—C40	120.6 (9)
C11—C12—H12	119.6	C38—C39—H39	119.7
C18—C13—C14	117.2 (7)	C40—C39—H39	119.7
C18—C13—P4	119.4 (6)	C39—C40—C35	118.5 (8)
C14—C13—P4	123.4 (6)	C39—C40—Ir1	127.3 (7)
C15—C14—C13	121.6 (8)	C35—C40—Ir1	113.8 (6)
C15—C14—H14	119.2	Cl2—C41—Cl3	109.5 (6)
C13—C14—H14	119.2	Cl2—C41—H41A	109.8
C14—C15—C16	119.9 (9)	Cl3—C41—H41A	109.8
C14—C15—H15	120.1	Cl2—C41—H41B	109.8
C16—C15—H15	120.1	Cl3—C41—H41B	109.8
C17—C16—C15	119.8 (8)	H41A—C41—H41B	108.2
C17—C16—H16	120.1	Cl4—C42—Cl4^i	120.8 (13)
C15—C16—H16	120.1	Cl4—C42—H42A	107.1
C16—C17—C18	120.3 (8)	Cl4^i—C42—H42A	107.1
C16—C17—H17	119.9	Cl4—C42—H42B	107.1
C18—C17—H17	119.9	Cl4^i—C42—H42B	107.1
C13—C18—C17	121.2 (8)	H42A—C42—H42B	106.8

Symmetry code: (i) −x, −y+1, −z.