Chloro­{1-[(1-hydroxy­methyl-2-methyl­prop­yl)imino­meth­yl]ferrocenyl-κ2C,N}(triphenyl­phosphine-κP)palladium(II) dichloro­methane solvate

Qian, H.-Y.; Cui, X.-L.

doi:10.1107/S1600536806048471

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Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl-κ²C,N}(triphenylphosphine-κP)palladium(II) dichloromethane solvate

H.-Y. Qian and X.-L. Cui

The asymmetric unit of the title compound, [FePd(C₅H₅)(C₁₁H₁₅NO)Cl(C₁₈H₁₅P)]·CH₂Cl₂, contains two molecular palladium complexes and two dichloromethane solvent molecules. The Pd atoms have approximately square planar configurations. Intermolecular O—H

Cl hydrogen bonds stabilize the crystal structure.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806048471/hg2115sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806048471/hg2115Isup2.hkl Contains datablock I

CCDC reference: 629899

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.011 Å
R factor = 0.062
wR factor = 0.146
Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         11

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           26.00
           From the CIF: _reflns_number_total              12232
           Count of symmetry unique reflns         7115
           Completeness (_total/calc)            171.92%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      5117
           Fraction of Friedel pairs measured     0.719
           Are heavy atom types Z>Si present        yes
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C12    = .          R
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C47    = .          R

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   5 ALERT level G = General alerts; check

   4 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXTL (Bruker, 1998); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl- κ²C,N}(triphenylphosphine-κP)palladium(II) dichloromethane solvate top

Crystal data top

[FePdCl(C₁₈H₁₅P)(C₅H₅)(C₁₁H₁₅NO)]·CH₂Cl₂	F(000) = 1600
M_r = 787.23	D_x = 1.473 Mg m⁻³
Monoclinic, P2₁	Melting point: 571(2) K
Hall symbol: P 2yb	Mo Kα radiation, λ = 0.71073 Å
a = 10.229 (3) Å	Cell parameters from 250 reflections
b = 32.4690 (18) Å	θ = 2–25.2°
c = 10.6860 (16) Å	µ = 1.21 mm⁻¹
β = 90.130 (13)°	T = 293 K
V = 3549.1 (12) Å³	Block, orange
Z = 4	0.32 × 0.25 × 0.22 mm

Data collection top

Bruker SMART APEX CCD area-detector diffractometer	12232 independent reflections
Radiation source: sealed tube	10975 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.033
φ and ω scans	θ_max = 26.0°, θ_min = 1.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −12→12
T_min = 0.70, T_max = 0.77	k = −39→40
18654 measured reflections	l = −13→13

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.062	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.146	w = 1/[σ²(F_o²) + (0.09P)² + 1.99P] where P = (F_o² + 2F_c²)/3
S = 1.07	(Δ/σ)_max < 0.001
12232 reflections	Δρ_max = 0.44 e Å⁻³
773 parameters	Δρ_min = −0.96 e Å⁻³
1 restraint	Absolute structure: Flack (1983)
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.05 (3)

Special details top

Experimental. IR (KBr, ν, cm^-1): 3452, 3397, 3055, 2959, 2868, 1597, 1435, 1387, 1185, 1097, 819; ¹H NMR (CDCl₃): δ 8.15 (s, 1H), 7.26–7.79 (m, 15H), 4.02–4.40 (m, 4H), 3.93 (s, 5H), 3.90–3.91 (m, 1H), 3.85 (m, 1H), 1.60 (s, 2H), 1.06 (d, 3H, J = 6.4 Hz), 1.02 (d, 3H, J = 6.2 Hz); analysis calculated for C₃₅H₃₇Cl₃FeNOPPd: C 53.37, H 4.70, N 1.78%; found: C 53.68, H 4.70, N 1.79%.

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

	x	y	z	U_iso*/U_eq
C1	0.5560 (8)	0.1052 (2)	1.2238 (8)	0.0332 (17)
H1	0.5954	0.0865	1.1627	0.040*
C2	0.4557 (8)	0.1327 (2)	1.2034 (8)	0.0322 (17)
H2	0.4122	0.1365	1.1224	0.039*
C3	0.4195 (7)	0.1513 (3)	1.3073 (8)	0.0347 (18)
H3	0.3466	0.1707	1.3165	0.042*
C4	0.5117 (7)	0.1391 (3)	1.4044 (8)	0.0327 (17)
H4	0.5111	0.1482	1.4918	0.039*
C5	0.5918 (7)	0.1099 (3)	1.3543 (8)	0.0312 (16)
H5	0.6615	0.0951	1.3982	0.037*
C6	0.6600 (7)	0.2075 (3)	1.1253 (7)	0.0328 (17)
C7	0.6318 (7)	0.2274 (3)	1.2434 (8)	0.0323 (17)
H7	0.5607	0.2472	1.2553	0.039*
C8	0.7162 (7)	0.2160 (3)	1.3350 (8)	0.0347 (18)
H8	0.7148	0.2255	1.4221	0.042*
C9	0.8016 (8)	0.1841 (3)	1.2835 (7)	0.0319 (16)
H9	0.8706	0.1691	1.3281	0.038*
C10	0.7663 (7)	0.1798 (3)	1.1525 (7)	0.0318 (16)
C11	0.8080 (7)	0.1535 (3)	1.0573 (7)	0.0316 (16)
H11	0.8779	0.1356	1.0699	0.038*
C12	0.7893 (7)	0.1268 (2)	0.8520 (7)	0.0311 (16)
H12	0.8733	0.1147	0.8766	0.037*
C13	0.6927 (8)	0.0925 (3)	0.8417 (8)	0.0369 (18)
H13A	0.6068	0.1043	0.8277	0.044*
H13B	0.7143	0.0761	0.7686	0.044*
C14	0.8097 (8)	0.1485 (2)	0.7240 (8)	0.0328 (17)
H14	0.7251	0.1535	0.6836	0.039*
C15	0.8960 (8)	0.1201 (2)	0.6400 (10)	0.040 (2)
H15A	0.8997	0.1312	0.5568	0.061*
H15B	0.8587	0.0930	0.6374	0.061*
H15C	0.9828	0.1186	0.6742	0.061*
C16	0.8839 (7)	0.1908 (2)	0.7458 (8)	0.0329 (18)
H16A	0.8755	0.1989	0.8318	0.049*
H16B	0.8464	0.2116	0.6930	0.049*
H16C	0.9748	0.1875	0.7257	0.049*
C17	0.5100 (8)	0.2973 (3)	1.0716 (7)	0.038 (2)
C18	0.6378 (8)	0.3129 (2)	1.0732 (7)	0.0328 (17)
H18	0.6987	0.3040	1.0146	0.039*
C19	0.6733 (8)	0.3422 (2)	1.1642 (8)	0.0333 (17)
H19	0.7581	0.3525	1.1677	0.040*
C20	0.5793 (7)	0.3554 (2)	1.2486 (7)	0.0270 (14)
H20	0.6015	0.3742	1.3109	0.032*
C21	0.4550 (7)	0.3410 (2)	1.2403 (7)	0.0311 (16)
H21	0.3930	0.3502	1.2974	0.037*
C22	0.4170 (8)	0.3122 (3)	1.1468 (8)	0.0347 (17)
H22	0.3304	0.3040	1.1382	0.042*
C23	0.3012 (8)	0.2503 (3)	0.9544 (8)	0.0372 (18)
C24	0.2566 (8)	0.2260 (3)	1.0508 (8)	0.0383 (18)
H24	0.3162	0.2149	1.1072	0.046*
C25	0.1267 (7)	0.2180 (3)	1.0653 (8)	0.0338 (17)
H25	0.0998	0.2007	1.1297	0.041*
C26	0.0369 (8)	0.2346 (3)	0.9887 (8)	0.0371 (18)
H26	−0.0516	0.2293	1.0003	0.045*
C27	0.0792 (8)	0.2600 (2)	0.8907 (7)	0.0345 (17)
H27	0.0193	0.2717	0.8355	0.041*
C28	0.2155 (8)	0.2678 (3)	0.8773 (8)	0.0352 (18)
H28	0.2447	0.2852	0.8141	0.042*
C29	0.5076 (7)	0.2914 (2)	0.8066 (7)	0.0267 (15)
C30	0.5797 (7)	0.2758 (3)	0.7062 (7)	0.0311 (16)
H30	0.6116	0.2490	0.7068	0.037*
C31	0.6020 (8)	0.3023 (2)	0.6041 (8)	0.0352 (18)
H31	0.6519	0.2925	0.5379	0.042*
C32	0.5545 (7)	0.3418 (2)	0.5965 (8)	0.0308 (16)
H32	0.5684	0.3584	0.5269	0.037*
C33	0.4843 (8)	0.3552 (2)	0.6996 (8)	0.0326 (17)
H33	0.4482	0.3815	0.6983	0.039*
C34	0.4662 (7)	0.3310 (2)	0.8038 (7)	0.0264 (15)
H34	0.4248	0.3421	0.8736	0.032*
C35	0.2376 (8)	0.2303 (3)	0.5591 (9)	0.0389 (19)
H35A	0.1985	0.2344	0.6407	0.047*
H35B	0.3217	0.2171	0.5717	0.047*
C36	0.9275 (8)	0.0438 (2)	1.3174 (8)	0.0350 (18)
H36	0.8598	0.0230	1.3326	0.042*
C37	0.9498 (7)	0.0662 (2)	1.2020 (8)	0.0321 (17)
H37	0.9019	0.0626	1.1232	0.039*
C38	1.0599 (8)	0.0915 (3)	1.2209 (8)	0.0369 (19)
H38	1.0997	0.1097	1.1584	0.044*
C39	1.0946 (8)	0.0889 (3)	1.3438 (8)	0.0370 (18)
H39	1.1677	0.1042	1.3807	0.044*
C40	1.0237 (8)	0.0593 (2)	1.4079 (8)	0.0342 (17)
H40	1.0325	0.0515	1.4961	0.041*
C41	1.1482 (8)	−0.0117 (3)	1.1236 (8)	0.0372 (18)
C42	1.1429 (7)	−0.0259 (2)	1.2511 (7)	0.0312 (16)
H42	1.0770	−0.0456	1.2796	0.037*
C43	1.2423 (7)	−0.0116 (2)	1.3297 (7)	0.0314 (16)
H43	1.2602	−0.0189	1.4171	0.038*
C44	1.3048 (8)	0.0205 (3)	1.2518 (8)	0.0349 (17)
H44	1.3752	0.0389	1.2792	0.042*
C45	1.2530 (8)	0.0193 (2)	1.1351 (8)	0.0328 (17)
C46	1.2714 (7)	0.0451 (2)	1.0266 (7)	0.0288 (15)
H46	1.3386	0.0643	1.0235	0.035*
C47	1.2055 (7)	0.0634 (2)	0.8159 (7)	0.0300 (15)
H47	1.1326	0.0553	0.7616	0.036*
C48	1.1894 (7)	0.1117 (2)	0.8463 (7)	0.0302 (16)
H48A	1.1880	0.1268	0.7680	0.036*
H48B	1.1058	0.1160	0.8870	0.036*
C49	1.3342 (7)	0.0522 (2)	0.7477 (8)	0.0321 (17)
H49	1.4090	0.0582	0.8022	0.038*
C50	1.3257 (7)	0.0051 (2)	0.7242 (8)	0.0320 (16)
H50A	1.3721	−0.0092	0.7891	0.048*
H50B	1.3641	−0.0013	0.6446	0.048*
H50C	1.2358	−0.0033	0.7242	0.048*
C51	1.3468 (8)	0.0769 (2)	0.6247 (8)	0.0339 (17)
H51A	1.2628	0.0877	0.6015	0.051*
H51B	1.3781	0.0591	0.5596	0.051*
H51C	1.4073	0.0991	0.6365	0.051*
C52	0.7685 (8)	−0.0594 (3)	0.9988 (8)	0.0350 (17)
C53	0.7330 (8)	−0.0295 (2)	1.0908 (7)	0.0320 (16)
H53	0.7959	−0.0154	1.1367	0.038*
C54	0.5991 (7)	−0.0224 (2)	1.1091 (7)	0.0312 (16)
H54	0.5729	−0.0022	1.1655	0.037*
C55	0.5048 (8)	−0.0448 (2)	1.0453 (7)	0.0300 (15)
H55	0.4167	−0.0413	1.0638	0.036*
C56	0.5426 (8)	−0.0721 (2)	0.9546 (7)	0.0310 (16)
H56	0.4790	−0.0859	0.9086	0.037*
C57	0.6740 (8)	−0.0795 (3)	0.9297 (8)	0.0359 (18)
H57	0.6978	−0.0979	0.8670	0.043*
C58	0.9875 (5)	−0.10224 (16)	1.1058 (5)	0.0352 (18)
C59	0.9027 (4)	−0.11473 (17)	1.2000 (5)	0.0387 (19)
H59	0.8175	−0.1048	1.2017	0.046*
C60	0.9454 (4)	−0.14206 (17)	1.2915 (4)	0.0405 (19)
H60	0.8886	−0.1504	1.3545	0.049*
C61	1.0728 (4)	−0.15690 (16)	1.2889 (5)	0.0356 (18)
H61	1.1013	−0.1752	1.3501	0.043*
C62	1.1576 (4)	−0.14442 (16)	1.1947 (5)	0.0337 (17)
H62	1.2428	−0.1544	1.1930	0.040*
C63	1.1149 (4)	−0.11709 (17)	1.1032 (5)	0.042 (2)
H63	1.1716	−0.1087	1.0402	0.050*
C64	0.9693 (8)	−0.0983 (3)	0.8429 (8)	0.0351 (17)
C65	1.0253 (8)	−0.0860 (3)	0.7323 (8)	0.0374 (18)
H65	1.0533	−0.0589	0.7236	0.045*
C66	1.0402 (8)	−0.1119 (2)	0.6381 (9)	0.0374 (18)
H66	1.0802	−0.1022	0.5657	0.045*
C67	0.9997 (8)	−0.1526 (3)	0.6409 (8)	0.0348 (18)
H67	1.0071	−0.1690	0.5700	0.042*
C68	0.9494 (8)	−0.1680 (3)	0.7473 (8)	0.0357 (18)
H68	0.9320	−0.1960	0.7552	0.043*
C69	0.9236 (8)	−0.1404 (2)	0.8474 (8)	0.0314 (16)
H69	0.8767	−0.1495	0.9165	0.038*
C70	0.7322 (9)	−0.0358 (3)	0.5484 (9)	0.0404 (19)
H70A	0.8172	−0.0315	0.5107	0.048*
H70B	0.7428	−0.0310	0.6375	0.048*
Cl1	0.48575 (17)	0.18056 (6)	0.76003 (18)	0.0318 (4)
Cl2	0.14396 (16)	0.19929 (7)	0.47775 (18)	0.0348 (4)
Cl3	0.2603 (2)	0.27374 (7)	0.4957 (2)	0.0428 (5)
Cl4	0.9173 (2)	0.01291 (7)	0.7893 (2)	0.0421 (5)
Cl5	0.6304 (2)	0.00284 (6)	0.4922 (2)	0.0406 (5)
Cl6	0.7003 (2)	−0.08037 (7)	0.5328 (2)	0.0421 (5)
Fe1	0.61040 (10)	0.16600 (3)	1.26127 (11)	0.0291 (2)
Fe2	1.11460 (11)	0.03333 (4)	1.25895 (12)	0.0345 (3)
N1	0.7483 (6)	0.1545 (2)	0.9533 (6)	0.0336 (14)
N2	1.1925 (6)	0.0406 (2)	0.9347 (6)	0.0306 (14)
O1	0.6853 (5)	0.06532 (18)	0.9485 (5)	0.0332 (12)
H1C	0.716 (13)	0.040 (4)	0.923 (13)	0.080*
O2	1.2859 (5)	0.12768 (16)	0.9209 (6)	0.0345 (12)
H2C	1.367 (13)	0.121 (4)	0.878 (13)	0.080*
P1	0.4787 (2)	0.25932 (6)	0.9457 (2)	0.0328 (4)
P2	0.94384 (19)	−0.06675 (7)	0.9792 (2)	0.0325 (4)
Pd1	0.59505 (5)	0.201180 (16)	0.95100 (5)	0.03025 (14)
Pd2	1.05307 (6)	−0.006910 (18)	0.96394 (6)	0.03414 (15)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.032 (4)	0.027 (4)	0.040 (5)	0.005 (3)	−0.012 (3)	−0.002 (3)
C2	0.034 (4)	0.029 (4)	0.033 (4)	0.011 (3)	0.002 (3)	−0.010 (3)
C3	0.027 (4)	0.035 (4)	0.042 (5)	0.005 (3)	−0.009 (3)	−0.004 (4)
C4	0.032 (4)	0.040 (4)	0.026 (4)	0.000 (3)	0.003 (3)	0.001 (3)
C5	0.025 (3)	0.037 (4)	0.032 (4)	0.006 (3)	−0.003 (3)	−0.002 (3)
C6	0.027 (3)	0.047 (5)	0.025 (4)	−0.006 (3)	0.002 (3)	−0.001 (3)
C7	0.031 (4)	0.033 (4)	0.033 (4)	−0.008 (3)	0.002 (3)	0.008 (3)
C8	0.032 (4)	0.037 (4)	0.036 (4)	−0.016 (3)	−0.005 (3)	−0.001 (3)
C9	0.037 (4)	0.036 (4)	0.023 (4)	−0.010 (3)	0.003 (3)	0.003 (3)
C10	0.024 (3)	0.045 (4)	0.026 (4)	0.000 (3)	−0.001 (3)	−0.002 (3)
C11	0.026 (3)	0.045 (4)	0.024 (4)	−0.005 (3)	0.002 (3)	0.005 (3)
C12	0.028 (4)	0.035 (4)	0.029 (4)	−0.005 (3)	−0.001 (3)	0.000 (3)
C13	0.040 (4)	0.035 (4)	0.036 (4)	0.004 (3)	0.009 (3)	0.000 (3)
C14	0.033 (4)	0.026 (4)	0.039 (5)	0.002 (3)	0.006 (3)	0.001 (3)
C15	0.031 (4)	0.024 (4)	0.066 (6)	0.013 (3)	0.008 (4)	−0.009 (4)
C16	0.021 (3)	0.034 (4)	0.044 (4)	−0.017 (3)	−0.004 (3)	0.016 (3)
C17	0.041 (4)	0.050 (5)	0.023 (4)	0.017 (4)	−0.019 (3)	−0.009 (3)
C18	0.041 (4)	0.031 (4)	0.027 (4)	0.014 (3)	−0.002 (3)	−0.007 (3)
C19	0.035 (4)	0.028 (4)	0.038 (5)	0.002 (3)	0.001 (3)	−0.003 (3)
C20	0.025 (3)	0.027 (4)	0.030 (4)	0.005 (3)	−0.002 (3)	−0.006 (3)
C21	0.030 (4)	0.037 (4)	0.026 (4)	0.004 (3)	−0.009 (3)	−0.002 (3)
C22	0.032 (4)	0.036 (4)	0.037 (4)	0.007 (3)	−0.013 (3)	0.000 (3)
C23	0.026 (4)	0.046 (5)	0.039 (5)	0.002 (3)	0.002 (3)	−0.010 (4)
C24	0.044 (4)	0.040 (5)	0.031 (4)	0.005 (4)	0.001 (3)	−0.006 (4)
C25	0.026 (3)	0.042 (4)	0.034 (4)	0.003 (3)	0.005 (3)	−0.007 (3)
C26	0.042 (4)	0.043 (5)	0.027 (4)	0.007 (3)	0.003 (3)	−0.012 (3)
C27	0.046 (4)	0.037 (4)	0.021 (4)	0.013 (3)	0.007 (3)	−0.007 (3)
C28	0.033 (4)	0.042 (5)	0.031 (4)	0.018 (3)	0.000 (3)	−0.011 (3)
C29	0.035 (4)	0.025 (3)	0.020 (3)	0.006 (3)	−0.008 (3)	−0.004 (3)
C30	0.033 (4)	0.034 (4)	0.027 (4)	0.004 (3)	−0.010 (3)	−0.003 (3)
C31	0.035 (4)	0.032 (4)	0.038 (4)	0.018 (3)	−0.007 (3)	−0.013 (3)
C32	0.029 (4)	0.032 (4)	0.032 (4)	0.013 (3)	0.000 (3)	−0.002 (3)
C33	0.033 (4)	0.025 (4)	0.039 (5)	0.003 (3)	0.002 (3)	−0.007 (3)
C34	0.028 (3)	0.024 (3)	0.027 (4)	0.013 (3)	−0.004 (3)	−0.003 (3)
C35	0.036 (4)	0.042 (5)	0.039 (5)	0.004 (3)	0.002 (3)	0.004 (4)
C36	0.035 (4)	0.032 (4)	0.038 (5)	−0.006 (3)	0.002 (3)	0.010 (3)
C37	0.025 (3)	0.034 (4)	0.037 (4)	−0.005 (3)	0.010 (3)	0.005 (3)
C38	0.040 (4)	0.038 (5)	0.032 (4)	0.000 (3)	0.019 (3)	0.013 (4)
C39	0.036 (4)	0.035 (4)	0.041 (5)	−0.006 (3)	0.003 (3)	0.011 (4)
C40	0.040 (4)	0.026 (4)	0.036 (4)	−0.010 (3)	0.007 (3)	0.003 (3)
C41	0.050 (5)	0.029 (4)	0.032 (4)	−0.001 (3)	−0.002 (3)	0.003 (3)
C42	0.035 (4)	0.029 (4)	0.030 (4)	0.012 (3)	0.000 (3)	0.009 (3)
C43	0.040 (4)	0.021 (3)	0.033 (4)	0.008 (3)	−0.007 (3)	−0.001 (3)
C44	0.037 (4)	0.035 (4)	0.033 (4)	0.002 (3)	−0.016 (3)	0.005 (3)
C45	0.036 (4)	0.033 (4)	0.029 (4)	−0.004 (3)	−0.007 (3)	0.004 (3)
C46	0.036 (4)	0.028 (4)	0.023 (4)	0.010 (3)	−0.003 (3)	−0.002 (3)
C47	0.030 (4)	0.030 (4)	0.030 (4)	0.005 (3)	0.008 (3)	0.013 (3)
C48	0.035 (4)	0.032 (4)	0.023 (4)	0.008 (3)	0.002 (3)	0.007 (3)
C49	0.028 (4)	0.035 (4)	0.034 (4)	0.005 (3)	−0.008 (3)	0.012 (3)
C50	0.032 (4)	0.028 (4)	0.036 (4)	0.004 (3)	−0.001 (3)	0.004 (3)
C51	0.043 (4)	0.028 (4)	0.030 (4)	0.001 (3)	−0.013 (3)	−0.001 (3)
C52	0.042 (4)	0.035 (4)	0.028 (4)	−0.006 (3)	−0.005 (3)	−0.005 (3)
C53	0.038 (4)	0.037 (4)	0.021 (4)	−0.001 (3)	0.001 (3)	−0.009 (3)
C54	0.032 (4)	0.029 (4)	0.032 (4)	0.005 (3)	0.001 (3)	0.001 (3)
C55	0.034 (4)	0.022 (3)	0.033 (4)	0.000 (3)	−0.005 (3)	−0.002 (3)
C56	0.039 (4)	0.023 (4)	0.031 (4)	−0.005 (3)	0.000 (3)	−0.002 (3)
C57	0.039 (4)	0.032 (4)	0.037 (4)	−0.009 (3)	0.004 (3)	0.009 (3)
C58	0.041 (4)	0.039 (4)	0.026 (4)	−0.001 (3)	0.011 (3)	0.010 (3)
C59	0.042 (4)	0.044 (5)	0.031 (4)	−0.018 (4)	0.002 (3)	0.013 (4)
C60	0.040 (4)	0.047 (5)	0.035 (5)	−0.008 (4)	0.011 (3)	0.004 (4)
C61	0.025 (3)	0.045 (5)	0.037 (5)	−0.008 (3)	0.013 (3)	0.010 (4)
C62	0.037 (4)	0.031 (4)	0.034 (4)	−0.003 (3)	0.018 (3)	0.007 (3)
C63	0.036 (4)	0.045 (5)	0.044 (5)	−0.007 (4)	0.012 (4)	0.012 (4)
C64	0.039 (4)	0.039 (4)	0.027 (4)	0.008 (3)	0.006 (3)	0.005 (3)
C65	0.045 (5)	0.044 (5)	0.024 (4)	0.006 (4)	0.007 (3)	0.008 (3)
C66	0.042 (4)	0.029 (4)	0.042 (5)	0.009 (3)	0.009 (4)	−0.006 (3)
C67	0.038 (4)	0.036 (4)	0.031 (4)	0.004 (3)	−0.001 (3)	−0.006 (3)
C68	0.042 (4)	0.030 (4)	0.034 (4)	0.005 (3)	0.007 (3)	0.010 (3)
C69	0.040 (4)	0.024 (3)	0.030 (4)	0.003 (3)	0.005 (3)	0.005 (3)
C70	0.046 (5)	0.035 (5)	0.040 (5)	−0.006 (3)	−0.006 (4)	−0.002 (4)
Cl1	0.0295 (8)	0.0343 (9)	0.0317 (10)	−0.0051 (7)	0.0075 (7)	0.0042 (7)
Cl2	0.0278 (8)	0.0360 (9)	0.0404 (10)	−0.0092 (8)	−0.0094 (7)	0.0097 (9)
Cl3	0.0449 (11)	0.0403 (11)	0.0430 (12)	0.0114 (8)	−0.0139 (9)	−0.0123 (9)
Cl4	0.0402 (10)	0.0391 (10)	0.0469 (12)	0.0055 (8)	−0.0142 (9)	−0.0088 (9)
Cl5	0.0443 (10)	0.0416 (11)	0.0359 (10)	−0.0106 (8)	0.0126 (8)	0.0163 (8)
Cl6	0.0458 (11)	0.0451 (11)	0.0353 (11)	−0.0001 (9)	−0.0182 (9)	0.0041 (9)
Fe1	0.0277 (5)	0.0294 (6)	0.0301 (6)	−0.0015 (4)	0.0037 (4)	−0.0046 (5)
Fe2	0.0341 (6)	0.0341 (6)	0.0354 (7)	−0.0021 (5)	0.0041 (5)	0.0068 (5)
N1	0.033 (3)	0.039 (4)	0.029 (4)	−0.004 (3)	0.003 (3)	−0.003 (3)
N2	0.029 (3)	0.030 (3)	0.033 (4)	0.011 (2)	0.000 (3)	0.005 (3)
O1	0.034 (3)	0.037 (3)	0.029 (3)	−0.004 (2)	0.006 (2)	0.010 (2)
O2	0.034 (3)	0.027 (3)	0.043 (3)	0.007 (2)	0.002 (2)	0.009 (2)
P1	0.0299 (10)	0.0347 (10)	0.0337 (11)	−0.0011 (8)	−0.0011 (8)	0.0044 (9)
P2	0.0321 (10)	0.0378 (11)	0.0275 (10)	0.0042 (8)	0.0008 (7)	0.0006 (8)
Pd1	0.0318 (3)	0.0299 (3)	0.0292 (3)	−0.0039 (2)	0.0078 (2)	0.0025 (3)
Pd2	0.0346 (3)	0.0345 (3)	0.0333 (3)	0.0040 (2)	0.0017 (2)	−0.0081 (3)

Geometric parameters (Å, º) top

C1—C2	1.377 (10)	C37—Fe2	2.085 (8)
C1—C5	1.449 (11)	C37—H37	0.9800
C1—Fe1	2.090 (8)	C38—C39	1.362 (12)
C1—H1	0.9800	C38—Fe2	2.012 (9)
C2—C3	1.318 (12)	C38—H38	0.9800
C2—Fe1	2.014 (8)	C39—C40	1.386 (11)
C2—H2	0.9800	C39—Fe2	2.030 (9)
C3—C4	1.457 (11)	C39—H39	0.9800
C3—Fe1	2.070 (8)	C40—Fe2	2.028 (9)
C3—H3	0.9800	C40—H40	0.9800
C4—C5	1.362 (11)	C41—C42	1.439 (11)
C4—Fe1	2.032 (8)	C41—C45	1.476 (11)
C4—H4	0.9800	C41—Pd2	1.968 (8)
C5—Fe1	2.084 (8)	C41—Fe2	2.086 (9)
C5—H5	0.9800	C42—C43	1.397 (11)
C6—C10	1.439 (11)	C42—Fe2	1.946 (8)
C6—C7	1.448 (12)	C42—H42	0.9800
C6—Pd1	1.987 (8)	C43—C44	1.480 (12)
C6—Fe1	2.045 (8)	C43—Fe2	2.098 (7)
C7—C8	1.356 (12)	C43—H43	0.9800
C7—Fe1	2.015 (8)	C44—C45	1.354 (11)
C7—H7	0.9800	C44—Fe2	1.991 (8)
C8—C9	1.464 (12)	C44—H44	0.9800
C8—Fe1	2.104 (7)	C45—C46	1.442 (11)
C8—H8	0.9800	C45—Fe2	1.994 (8)
C9—C10	1.452 (11)	C46—N2	1.278 (10)
C9—Fe1	2.055 (8)	C46—H46	0.9300
C9—H9	0.9800	C47—N2	1.476 (9)
C10—C11	1.397 (12)	C47—C49	1.550 (10)
C10—Fe1	2.026 (8)	C47—C48	1.610 (11)
C11—N1	1.266 (10)	C47—H47	0.9800
C11—H11	0.9300	C48—O2	1.369 (10)
C12—N1	1.468 (10)	C48—H48A	0.9700
C12—C13	1.495 (11)	C48—H48B	0.9700
C12—C14	1.553 (11)	C49—C51	1.544 (11)
C12—H12	0.9800	C49—C50	1.552 (11)
C13—O1	1.444 (10)	C49—H49	0.9800
C13—H13A	0.9700	C50—H50A	0.9600
C13—H13B	0.9700	C50—H50B	0.9600
C14—C15	1.563 (11)	C50—H50C	0.9600
C14—C16	1.586 (10)	C51—H51A	0.9600
C14—H14	0.9800	C51—H51B	0.9600
C15—H15A	0.9600	C51—H51C	0.9600
C15—H15B	0.9600	C52—C57	1.380 (11)
C15—H15C	0.9600	C52—C53	1.429 (11)
C16—H16A	0.9600	C52—P2	1.822 (9)
C16—H16B	0.9600	C53—C54	1.403 (11)
C16—H16C	0.9600	C53—H53	0.9300
C17—C22	1.337 (12)	C54—C55	1.385 (11)
C17—C18	1.403 (12)	C54—H54	0.9300
C17—P1	1.853 (8)	C55—C56	1.369 (11)
C18—C19	1.407 (11)	C55—H55	0.9300
C18—H18	0.9300	C56—C57	1.392 (11)
C19—C20	1.387 (11)	C56—H56	0.9300
C19—H19	0.9300	C57—H57	0.9300
C20—C21	1.358 (10)	C58—C59	1.3900
C20—H20	0.9300	C58—C63	1.3900
C21—C22	1.423 (11)	C58—P2	1.832 (4)
C21—H21	0.9300	C59—C60	1.3900
C22—H22	0.9300	C59—H59	0.9300
C23—C28	1.329 (12)	C60—C61	1.3900
C23—C24	1.376 (13)	C60—H60	0.9300
C23—P1	1.842 (8)	C61—C62	1.3900
C24—C25	1.363 (12)	C61—H61	0.9300
C24—H24	0.9300	C62—C63	1.3900
C25—C26	1.342 (12)	C62—H62	0.9300
C25—H25	0.9300	C63—H63	0.9300
C26—C27	1.403 (12)	C64—C65	1.374 (11)
C26—H26	0.9300	C64—C69	1.445 (11)
C27—C28	1.424 (12)	C64—P2	1.800 (9)
C27—H27	0.9300	C65—C66	1.321 (12)
C28—H28	0.9300	C65—H65	0.9300
C29—C34	1.355 (10)	C66—C67	1.386 (12)
C29—C30	1.398 (11)	C66—H66	0.9300
C29—P1	1.839 (8)	C67—C68	1.346 (12)
C30—C31	1.408 (12)	C67—H67	0.9300
C30—H30	0.9300	C68—C69	1.421 (12)
C31—C32	1.374 (10)	C68—H68	0.9300
C31—H31	0.9300	C69—H69	0.9300
C32—C33	1.387 (11)	C70—Cl6	1.494 (9)
C32—H32	0.9300	C70—Cl5	1.736 (9)
C33—C34	1.375 (12)	C70—Pd1	8.927 (9)
C33—H33	0.9300	C70—H70A	0.9700
C34—H34	0.9300	C70—H70B	0.9700
C35—Cl3	1.584 (9)	Cl1—Pd1	2.419 (2)
C35—Cl2	1.637 (9)	Cl4—Pd2	2.412 (2)
C35—H35A	0.9700	N1—Pd1	2.181 (7)
C35—H35B	0.9700	N2—Pd2	2.124 (7)
C36—C37	1.450 (11)	O1—H1C	0.92 (14)
C36—C40	1.467 (12)	O2—H2C	0.96 (14)
C36—Fe2	2.043 (8)	P1—Pd1	2.232 (2)
C36—H36	0.9800	P2—Pd2	2.247 (2)
C37—C38	1.409 (12)

C2—C1—C5	105.7 (7)	O2—C48—H48A	108.7
C2—C1—Fe1	67.4 (5)	C47—C48—H48A	108.7
C5—C1—Fe1	69.5 (5)	O2—C48—H48B	108.7
C2—C1—H1	127.1	C47—C48—H48B	108.7
C5—C1—H1	127.1	H48A—C48—H48B	107.6
Fe1—C1—H1	127.1	C51—C49—C47	110.6 (6)
C3—C2—C1	112.0 (8)	C51—C49—C50	112.2 (7)
C3—C2—Fe1	73.5 (5)	C47—C49—C50	105.1 (6)
C1—C2—Fe1	73.4 (5)	C51—C49—H49	109.7
C3—C2—H2	123.9	C47—C49—H49	109.7
C1—C2—H2	123.9	C50—C49—H49	109.7
Fe1—C2—H2	123.9	C49—C50—H50A	109.5
C2—C3—C4	107.0 (7)	C49—C50—H50B	109.5
C2—C3—Fe1	68.9 (5)	H50A—C50—H50B	109.5
C4—C3—Fe1	67.8 (4)	C49—C50—H50C	109.5
C2—C3—H3	126.5	H50A—C50—H50C	109.5
C4—C3—H3	126.5	H50B—C50—H50C	109.5
Fe1—C3—H3	126.5	C49—C51—H51A	109.5
C5—C4—C3	107.4 (7)	C49—C51—H51B	109.5
C5—C4—Fe1	72.7 (5)	H51A—C51—H51B	109.5
C3—C4—Fe1	70.6 (5)	C49—C51—H51C	109.5
C5—C4—H4	126.2	H51A—C51—H51C	109.5
C3—C4—H4	126.2	H51B—C51—H51C	109.5
Fe1—C4—H4	126.2	C57—C52—C53	120.7 (8)
C4—C5—C1	107.5 (7)	C57—C52—P2	124.4 (7)
C4—C5—Fe1	68.6 (5)	C53—C52—P2	114.8 (6)
C1—C5—Fe1	69.9 (5)	C54—C53—C52	117.2 (7)
C4—C5—H5	126.2	C54—C53—H53	121.4
C1—C5—H5	126.2	C52—C53—H53	121.4
Fe1—C5—H5	126.2	C55—C54—C53	121.6 (7)
C10—C6—C7	104.8 (7)	C55—C54—H54	119.2
C10—C6—Pd1	112.1 (6)	C53—C54—H54	119.2
C7—C6—Pd1	142.7 (6)	C56—C55—C54	119.4 (7)
C10—C6—Fe1	68.6 (5)	C56—C55—H55	120.3
C7—C6—Fe1	68.0 (4)	C54—C55—H55	120.3
Pd1—C6—Fe1	121.0 (4)	C55—C56—C57	121.5 (7)
C8—C7—C6	112.3 (8)	C55—C56—H56	119.3
C8—C7—Fe1	74.4 (5)	C57—C56—H56	119.3
C6—C7—Fe1	70.2 (5)	C52—C57—C56	119.4 (8)
C8—C7—H7	123.8	C52—C57—H57	120.3
C6—C7—H7	123.8	C56—C57—H57	120.3
Fe1—C7—H7	123.8	C59—C58—C63	120.0
C7—C8—C9	107.5 (8)	C59—C58—P2	124.5 (3)
C7—C8—Fe1	67.3 (4)	C63—C58—P2	115.5 (3)
C9—C8—Fe1	67.6 (4)	C58—C59—C60	120.0
C7—C8—H8	126.1	C58—C59—H59	120.0
C9—C8—H8	126.1	C60—C59—H59	120.0
Fe1—C8—H8	126.1	C59—C60—C61	120.0
C10—C9—C8	106.4 (7)	C59—C60—H60	120.0
C10—C9—Fe1	68.1 (4)	C61—C60—H60	120.0
C8—C9—Fe1	71.2 (4)	C62—C61—C60	120.0
C10—C9—H9	126.8	C62—C61—H61	120.0
C8—C9—H9	126.8	C60—C61—H61	120.0
Fe1—C9—H9	126.8	C61—C62—C63	120.0
C11—C10—C6	117.8 (7)	C61—C62—H62	120.0
C11—C10—C9	133.3 (8)	C63—C62—H62	120.0
C6—C10—C9	108.7 (7)	C62—C63—C58	120.0
C11—C10—Fe1	121.6 (6)	C62—C63—H63	120.0
C6—C10—Fe1	70.0 (4)	C58—C63—H63	120.0
C9—C10—Fe1	70.3 (4)	C65—C64—C69	116.0 (8)
N1—C11—C10	118.4 (7)	C65—C64—P2	126.3 (7)
N1—C11—H11	120.8	C69—C64—P2	117.6 (6)
C10—C11—H11	120.8	C66—C65—C64	121.3 (9)
N1—C12—C13	108.7 (6)	C66—C65—H65	119.3
N1—C12—C14	114.3 (6)	C64—C65—H65	119.3
C13—C12—C14	111.3 (7)	C65—C66—C67	123.8 (9)
N1—C12—H12	107.4	C65—C66—H66	118.1
C13—C12—H12	107.4	C67—C66—H66	118.1
C14—C12—H12	107.4	C68—C67—C66	119.2 (8)
O1—C13—C12	115.6 (7)	C68—C67—H67	120.4
O1—C13—H13A	108.4	C66—C67—H67	120.4
C12—C13—H13A	108.4	C67—C68—C69	118.2 (8)
O1—C13—H13B	108.4	C67—C68—H68	120.9
C12—C13—H13B	108.4	C69—C68—H68	120.9
H13A—C13—H13B	107.4	C68—C69—C64	120.8 (7)
C12—C14—C15	108.4 (7)	C68—C69—H69	119.6
C12—C14—C16	109.2 (7)	C64—C69—H69	119.6
C15—C14—C16	109.0 (6)	Cl6—C70—Cl5	122.1 (5)
C12—C14—H14	110.1	Cl6—C70—Pd1	148.8 (4)
C15—C14—H14	110.1	Cl5—C70—Pd1	56.6 (3)
C16—C14—H14	110.1	Cl6—C70—H70A	106.8
C14—C15—H15A	109.5	Cl5—C70—H70A	106.8
C14—C15—H15B	109.5	Pd1—C70—H70A	102.6
H15A—C15—H15B	109.5	Cl6—C70—H70B	106.8
C14—C15—H15C	109.5	Cl5—C70—H70B	106.8
H15A—C15—H15C	109.5	Pd1—C70—H70B	53.6
H15B—C15—H15C	109.5	H70A—C70—H70B	106.7
C14—C16—H16A	109.5	C2—Fe1—C7	126.0 (3)
C14—C16—H16B	109.5	C2—Fe1—C10	124.2 (3)
H16A—C16—H16B	109.5	C7—Fe1—C10	68.9 (3)
C14—C16—H16C	109.5	C2—Fe1—C4	67.0 (3)
H16A—C16—H16C	109.5	C7—Fe1—C4	123.5 (3)
H16B—C16—H16C	109.5	C10—Fe1—C4	157.0 (3)
C22—C17—C18	121.7 (8)	C2—Fe1—C6	109.4 (3)
C22—C17—P1	123.7 (7)	C7—Fe1—C6	41.8 (3)
C18—C17—P1	114.2 (6)	C10—Fe1—C6	41.4 (3)
C17—C18—C19	119.5 (7)	C4—Fe1—C6	160.4 (3)
C17—C18—H18	120.3	C2—Fe1—C9	159.4 (3)
C19—C18—H18	120.3	C7—Fe1—C9	67.9 (3)
C20—C19—C18	118.7 (7)	C10—Fe1—C9	41.7 (3)
C20—C19—H19	120.7	C4—Fe1—C9	120.7 (3)
C18—C19—H19	120.7	C6—Fe1—C9	69.9 (3)
C21—C20—C19	120.1 (7)	C2—Fe1—C3	37.6 (3)
C21—C20—H20	119.9	C7—Fe1—C3	110.7 (3)
C19—C20—H20	119.9	C10—Fe1—C3	158.6 (3)
C20—C21—C22	121.8 (8)	C4—Fe1—C3	41.6 (3)
C20—C21—H21	119.1	C6—Fe1—C3	123.8 (3)
C22—C21—H21	119.1	C9—Fe1—C3	159.4 (3)
C17—C22—C21	117.8 (7)	C2—Fe1—C5	66.7 (3)
C17—C22—H22	121.1	C7—Fe1—C5	157.0 (3)
C21—C22—H22	121.1	C10—Fe1—C5	122.7 (3)
C28—C23—C24	119.3 (8)	C4—Fe1—C5	38.6 (3)
C28—C23—P1	123.3 (7)	C6—Fe1—C5	159.6 (3)
C24—C23—P1	117.2 (6)	C9—Fe1—C5	106.4 (3)
C25—C24—C23	121.3 (8)	C3—Fe1—C5	66.3 (3)
C25—C24—H24	119.3	C2—Fe1—C1	39.2 (3)
C23—C24—H24	119.3	C7—Fe1—C1	161.0 (3)
C26—C25—C24	121.4 (9)	C10—Fe1—C1	108.0 (3)
C26—C25—H25	119.3	C4—Fe1—C1	66.7 (3)
C24—C25—H25	119.3	C6—Fe1—C1	123.5 (3)
C25—C26—C27	118.6 (8)	C9—Fe1—C1	123.0 (3)
C25—C26—H26	120.7	C3—Fe1—C1	65.0 (3)
C27—C26—H26	120.7	C5—Fe1—C1	40.6 (3)
C26—C27—C28	118.9 (8)	C2—Fe1—C8	158.9 (3)
C26—C27—H27	120.6	C7—Fe1—C8	38.3 (3)
C28—C27—H27	120.6	C10—Fe1—C8	68.8 (3)
C23—C28—C27	120.4 (8)	C4—Fe1—C8	107.8 (3)
C23—C28—H28	119.8	C6—Fe1—C8	68.3 (3)
C27—C28—H28	119.8	C9—Fe1—C8	41.2 (3)
C34—C29—C30	119.5 (7)	C3—Fe1—C8	125.0 (3)
C34—C29—P1	120.3 (6)	C5—Fe1—C8	122.9 (3)
C30—C29—P1	120.1 (6)	C1—Fe1—C8	159.7 (3)
C29—C30—C31	117.4 (7)	C42—Fe2—C44	69.3 (3)
C29—C30—H30	121.3	C42—Fe2—C45	68.9 (3)
C31—C30—H30	121.3	C44—Fe2—C45	39.7 (3)
C32—C31—C30	123.9 (8)	C42—Fe2—C38	163.8 (4)
C32—C31—H31	118.0	C44—Fe2—C38	117.4 (3)
C30—C31—H31	118.0	C45—Fe2—C38	106.1 (3)
C31—C32—C33	115.5 (8)	C42—Fe2—C40	120.9 (3)
C31—C32—H32	122.3	C44—Fe2—C40	124.5 (4)
C33—C32—H32	122.3	C45—Fe2—C40	160.7 (3)
C34—C33—C32	122.3 (7)	C38—Fe2—C40	68.9 (3)
C34—C33—H33	118.9	C42—Fe2—C39	155.9 (3)
C32—C33—H33	118.9	C44—Fe2—C39	107.6 (3)
C29—C34—C33	121.2 (7)	C45—Fe2—C39	124.9 (3)
C29—C34—H34	119.4	C38—Fe2—C39	39.4 (4)
C33—C34—H34	119.4	C40—Fe2—C39	39.9 (3)
Cl3—C35—Cl2	114.0 (5)	C42—Fe2—C36	108.5 (3)
Cl3—C35—H35A	108.7	C44—Fe2—C36	164.3 (3)
Cl2—C35—H35A	108.7	C45—Fe2—C36	155.3 (3)
Cl3—C35—H35B	108.7	C38—Fe2—C36	69.2 (3)
Cl2—C35—H35B	108.7	C40—Fe2—C36	42.2 (3)
H35A—C35—H35B	107.6	C39—Fe2—C36	67.7 (3)
C37—C36—C40	106.4 (7)	C42—Fe2—C37	127.8 (3)
C37—C36—Fe2	71.0 (4)	C44—Fe2—C37	152.3 (3)
C40—C36—Fe2	68.4 (4)	C45—Fe2—C37	119.9 (3)
C37—C36—H36	126.8	C38—Fe2—C37	40.2 (3)
C40—C36—H36	126.8	C40—Fe2—C37	69.2 (3)
Fe2—C36—H36	126.8	C39—Fe2—C37	66.0 (3)
C38—C37—C36	107.3 (7)	C36—Fe2—C37	41.1 (3)
C38—C37—Fe2	67.1 (5)	C42—Fe2—C41	41.6 (3)
C36—C37—Fe2	67.9 (5)	C44—Fe2—C41	70.4 (3)
C38—C37—H37	126.2	C45—Fe2—C41	42.4 (3)
C36—C37—H37	126.2	C38—Fe2—C41	124.4 (3)
Fe2—C37—H37	126.2	C40—Fe2—C41	155.8 (3)
C39—C38—C37	107.9 (7)	C39—Fe2—C41	161.8 (3)
C39—C38—Fe2	71.0 (5)	C36—Fe2—C41	119.0 (3)
C37—C38—Fe2	72.7 (5)	C37—Fe2—C41	106.9 (3)
C39—C38—H38	125.9	C42—Fe2—C43	40.2 (3)
C37—C38—H38	125.9	C44—Fe2—C43	42.3 (3)
Fe2—C38—H38	125.9	C45—Fe2—C43	68.8 (3)
C38—C39—C40	112.6 (8)	C38—Fe2—C43	153.9 (3)
C38—C39—Fe2	69.6 (5)	C40—Fe2—C43	107.0 (3)
C40—C39—Fe2	70.0 (5)	C39—Fe2—C43	121.3 (3)
C38—C39—H39	123.6	C36—Fe2—C43	126.1 (3)
C40—C39—H39	123.6	C37—Fe2—C43	164.5 (3)
Fe2—C39—H39	123.6	C41—Fe2—C43	70.1 (3)
C39—C40—C36	105.3 (8)	C11—N1—C12	119.5 (7)
C39—C40—Fe2	70.1 (5)	C11—N1—Pd1	111.9 (6)
C36—C40—Fe2	69.4 (5)	C12—N1—Pd1	128.6 (5)
C39—C40—H40	127.3	C46—N2—C47	123.1 (7)
C36—C40—H40	127.3	C46—N2—Pd2	113.1 (5)
Fe2—C40—H40	127.3	C47—N2—Pd2	123.5 (5)
C42—C41—C45	99.7 (7)	C13—O1—H1C	107 (9)
C42—C41—Pd2	145.8 (7)	C48—O2—H2C	105 (8)
C45—C41—Pd2	112.1 (6)	C29—P1—C23	106.9 (4)
C42—C41—Fe2	64.0 (4)	C29—P1—C17	100.5 (4)
C45—C41—Fe2	65.5 (5)	C23—P1—C17	103.8 (4)
Pd2—C41—Fe2	117.6 (4)	C29—P1—Pd1	114.4 (2)
C43—C42—C41	115.8 (8)	C23—P1—Pd1	112.9 (3)
C43—C42—Fe2	75.8 (5)	C17—P1—Pd1	116.9 (2)
C41—C42—Fe2	74.4 (5)	C64—P2—C52	108.2 (4)
C43—C42—H42	122.1	C64—P2—C58	101.8 (3)
C41—C42—H42	122.1	C52—P2—C58	103.7 (3)
Fe2—C42—H42	122.1	C64—P2—Pd2	111.1 (3)
C42—C43—C44	102.1 (7)	C52—P2—Pd2	112.6 (3)
C42—C43—Fe2	64.0 (4)	C58—P2—Pd2	118.5 (2)
C44—C43—Fe2	65.0 (4)	C6—Pd1—N1	79.7 (3)
C42—C43—H43	128.8	C6—Pd1—P1	96.6 (3)
C44—C43—H43	128.8	N1—Pd1—P1	166.26 (18)
Fe2—C43—H43	128.8	C6—Pd1—Cl1	166.5 (2)
C45—C44—C43	109.2 (7)	N1—Pd1—Cl1	98.50 (18)
C45—C44—Fe2	70.2 (5)	P1—Pd1—Cl1	88.11 (8)
C43—C44—Fe2	72.7 (4)	C6—Pd1—Pd2	83.1 (2)
C45—C44—H44	125.4	N1—Pd1—Pd2	11.21 (18)
C43—C44—H44	125.4	P1—Pd1—Pd2	177.44 (6)
Fe2—C44—H44	125.4	Cl1—Pd1—Pd2	92.81 (5)
C44—C45—C46	132.2 (7)	C6—Pd1—C70	119.2 (3)
C44—C45—C41	112.2 (7)	N1—Pd1—C70	44.97 (19)
C46—C45—C41	115.1 (7)	P1—Pd1—C70	143.21 (8)
C44—C45—Fe2	70.0 (5)	Cl1—Pd1—C70	55.10 (7)
C46—C45—Fe2	119.7 (6)	Pd2—Pd1—C70	37.80 (6)
C41—C45—Fe2	72.2 (5)	C41—Pd2—N2	81.6 (3)
N2—C46—C45	117.9 (7)	C41—Pd2—P2	96.5 (3)
N2—C46—H46	121.0	N2—Pd2—P2	166.51 (17)
C45—C46—H46	121.0	C41—Pd2—Cl4	167.1 (3)
N2—C47—C49	111.4 (6)	N2—Pd2—Cl4	94.48 (18)
N2—C47—C48	107.8 (6)	P2—Pd2—Cl4	90.08 (8)
C49—C47—C48	114.2 (6)	C41—Pd2—Pd1	111.1 (3)
N2—C47—H47	107.7	N2—Pd2—Pd1	77.51 (16)
C49—C47—H47	107.7	P2—Pd2—Pd1	115.36 (6)
C48—C47—H47	107.7	Cl4—Pd2—Pd1	55.99 (5)
O2—C48—C47	114.4 (6)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O2—H2C···Cl1ⁱ	0.96 (14)	2.60 (13)	3.178 (6)	119 (9)
O1—H1C···Cl4	0.92 (14)	2.65 (14)	3.382 (6)	136 (11)

Symmetry code: (i) x+1, y, z.

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