Crystal structure of the new palladium complexes tetra­kis­(1,3-di­methyl­imidazolium-2-yl­idene)palladium(II) hexa­deca­carbonyl­tetra­rhenium diethyl ether disolvate and octa-μ-carbonyl-di­carbonyl­tetra­kis­(tri­phenyl­phosphane)palladium­dirhenium (unknown solvate)

The investigation of the coordination chemistry of heterometallic transition-metal complexes of palladium (Pd) and rhenium (Re) led to the isolation and crystallographic characterization of tetra­kis­(1,3-di­methyl­imidazolium-2-yl­idene)palladium(II) hexa­deca­carbonyl­tetra­rhenium diethyl ether disolvate, [Pd(C₅H₈N₂)₄][Re₄(CO)₁₆]·2C₄H₁₀O or [Pd(IMe)₄][Re₄(CO)₁₆]·2C₄H₁₀O, (1), and di­carbonyl­octa-μ-carbonyl-tetra­kis­(tri­phenyl­phosphane)palladiumdirhenium, [Pd₄Re₂(C₁₈H₁₅P)₄(CO)₁₀] or Pd₄Re₂(PPh₃)₄(μ-CO)₈(CO)₂, (2), from the reaction of Pd(PPh₃)₄ with 1,3-di­methyl­imidazolium-2-carboxyl­ate and Re₂(CO)₁₀ in a toluene–aceto­nitrile mixture.

Key indicators

Structure: 1

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.005 Å
• Disorder in solvent or counterion
• R factor = 0.028
• wR factor = 0.065
• Data-to-parameter ratio = 21.2

Structure: 2

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.018
• wR factor = 0.042
• Data-to-parameter ratio = 25.1

checkCIF/PLATON results

No syntax errors found



Datablock: 1


Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
            identifier.
            brownish
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          6 Report
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.55A   From Re2            -1.81 eA-3
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density.          0 Info

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         25 Note
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ...         17 Report
PLAT042_ALERT_1_G Calc. and Reported Moiety Formula Strings Differ     Please Check
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large      18.75 Why ?
PLAT176_ALERT_4_G The CIF-Embedded .res File Contains SADI Records         30 Report
PLAT177_ALERT_4_G The CIF-Embedded .res File Contains DELU Records          6 Report
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re1      --C2       .        5.8 s.u.
PLAT300_ALERT_4_G Atom Site Occupancy of N4         Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of N5         Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C17        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C18        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C19        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C20        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C21        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H18        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H19        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H20A       Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H20B       Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H20C       Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H21A       Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H21B       Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H21C       Constrained at        0.5 Check
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  2  )        24% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  3  )       100% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  4  )       100% Note
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ..... (Resd  3  )       9.38 Check
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ..... (Resd  4  )       5.62 Check
PLAT789_ALERT_4_G Atoms with Negative _atom_site_disorder_group  #         15 Check
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............         45 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          5 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          1 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   4 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  31 ALERT level G = General information/check it is not something unexpected

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
  24 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check




Datablock: 2


Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflection(s) Below Theta(Min).          9 Note
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          4 Report

Alert level G
PLAT014_ALERT_1_G N.O.K.   _shelx_fab_checksum Found in CIF ......     Please Check
PLAT154_ALERT_1_G The s.u.'s on the Cell Angles are Equal ..(Note)      0.001 Degree
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re1      --C1       .        8.4 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re1      --C2       .        8.2 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re1      --C3       .        6.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re1      --C4       .        7.8 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re1      --C5_a     .        6.7 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Pd2      --P2       .        6.0 s.u.
PLAT343_ALERT_2_G Unusual sp?      Angle Range in Main Residue for         C2 Check
PLAT343_ALERT_2_G Unusual sp?      Angle Range in Main Residue for         C3 Check
PLAT343_ALERT_2_G Unusual sp?      Angle Range in Main Residue for         C4 Check
PLAT343_ALERT_2_G Unusual sp?      Angle Range in Main Residue for         C5 Check
PLAT606_ALERT_4_G Solvent Accessible VOID(S) in Structure ........          ! Info
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         26 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          3 Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          8 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          7 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  17 ALERT level G = General information/check it is not something unexpected

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  12 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

For both structures, data collection: APEX2 (Bruker, 2015); cell refinement: SAINT (Bruker, 2015); data reduction: SAINT (Bruker, 2015); program(s) used to solve structure: SHELXT2014/5 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014/7 (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Tetrakis(1,3-dimethylimidazolium-2-ylidene)palladium(II) hexadecacarbonyltetrarhenium diethyl ether disolvate (1)

Crystal data

[Pd(C5H8N2)4][Re4(CO)16]·2C4H10O	F(000) = 3448
Mr = 1832.13	Dx = 2.245 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 21.1079 (9) Å	Cell parameters from 9678 reflections
b = 14.0026 (6) Å	θ = 2.9–31.5°
c = 19.4346 (8) Å	µ = 9.30 mm^−1
β = 109.342 (1)°	T = 100 K
V = 5420.0 (4) Å^3	Plate, brownish yellow
Z = 4	0.17 × 0.11 × 0.03 mm

Data collection

Bruker APEXII CCD diffractometer	7392 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.087
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	θmax = 31.5°, θmin = 1.8°
Tmin = 0.285, Tmax = 0.746	h = −31→31
128368 measured reflections	k = −20→20
9046 independent reflections	l = −28→28

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.028	w = 1/[σ^2(Fo^2) + (0.0239P)^2 + 18.7547P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.065	(Δ/σ)max = 0.002
S = 1.06	Δρmax = 1.43 e Å^−3
9046 reflections	Δρmin = −1.83 e Å^−3
427 parameters	Extinction correction: SHELXL-2014/7 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
45 restraints	Extinction coefficient: 0.000167 (12)
Primary atom site location: dual

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Re1	0.24123 (2)	0.64550 (2)	0.00757 (2)	0.01933 (4)
Re2	0.12119 (2)	0.77460 (2)	−0.02794 (2)	0.01862 (4)
O1	0.26345 (18)	0.6591 (2)	0.17414 (18)	0.0402 (8)
O2	0.33004 (14)	0.4665 (2)	0.04457 (16)	0.0282 (6)
O3	0.21798 (18)	0.6155 (2)	−0.15832 (16)	0.0395 (8)
O4	0.12446 (17)	0.5083 (3)	−0.0062 (3)	0.0723 (15)
O5	0.14525 (17)	0.7926 (3)	0.13868 (17)	0.0467 (9)
O6	0.02877 (15)	0.9489 (2)	−0.05934 (19)	0.0360 (7)
O7	0.09872 (16)	0.7518 (2)	−0.19407 (16)	0.0298 (6)
O8	0.00308 (15)	0.6418 (2)	−0.03953 (18)	0.0344 (7)
C1	0.2553 (2)	0.6594 (3)	0.1126 (2)	0.0259 (8)
C2	0.30013 (19)	0.5380 (3)	0.0300 (2)	0.0222 (7)
C3	0.2273 (2)	0.6311 (3)	−0.0977 (2)	0.0265 (8)
C4	0.1656 (2)	0.5633 (3)	−0.0026 (3)	0.0436 (13)
C5	0.1390 (2)	0.7867 (3)	0.0783 (2)	0.0284 (8)
C6	0.06388 (19)	0.8834 (3)	−0.0472 (2)	0.0265 (8)
C7	0.10950 (19)	0.7595 (3)	−0.1328 (2)	0.0203 (7)
C8	0.0477 (2)	0.6912 (3)	−0.0359 (2)	0.0240 (7)
Pd1	0.0000	0.73266 (3)	0.2500	0.01708 (8)
N1	0.01104 (15)	0.5294 (2)	0.20006 (16)	0.0208 (6)
N2	0.08671 (16)	0.7599 (2)	0.40944 (16)	0.0207 (6)
N3	0.14126 (16)	0.6837 (3)	0.35200 (18)	0.0264 (7)
C9	0.0000	0.5885 (3)	0.2500	0.0163 (9)
C10	0.0072 (2)	0.4355 (3)	0.2188 (2)	0.0291 (8)
H10	0.0135	0.3810	0.1927	0.035*
C11	0.0244 (2)	0.5602 (3)	0.1342 (2)	0.0280 (8)
H11A	−0.0169	0.5553	0.0921	0.042*
H11B	0.0591	0.5194	0.1264	0.042*
H11C	0.0399	0.6266	0.1400	0.042*
C12	0.08194 (18)	0.7269 (3)	0.34247 (19)	0.0197 (7)
C13	0.1480 (2)	0.7374 (3)	0.4598 (2)	0.0272 (8)
H13	0.1630	0.7529	0.5102	0.033*
C14	0.1825 (2)	0.6895 (3)	0.4242 (2)	0.0306 (9)
H14	0.2265	0.6643	0.4445	0.037*
C15	0.0357 (2)	0.8150 (3)	0.4261 (2)	0.0263 (8)
H15A	0.0515	0.8807	0.4381	0.040*
H15B	0.0265	0.7864	0.4678	0.040*
H15C	−0.0055	0.8154	0.3837	0.040*
C16	0.1617 (2)	0.6371 (4)	0.2951 (3)	0.0372 (11)
H16A	0.1578	0.5677	0.2988	0.056*
H16B	0.2084	0.6538	0.3015	0.056*
H16C	0.1327	0.6587	0.2471	0.056*
N4	−0.0689 (5)	0.9322 (6)	0.2333 (5)	0.0253 (17)	0.5
N5	0.0364 (4)	0.9444 (6)	0.2548 (5)	0.0250 (16)	0.5
C17	−0.0127 (4)	0.8789 (5)	0.2461 (10)	0.0184 (18)	0.5
C18	−0.0558 (5)	1.0282 (6)	0.2331 (5)	0.038 (2)	0.5
H18	−0.0875	1.0788	0.2239	0.045*	0.5
C19	0.0112 (8)	1.0359 (6)	0.2485 (19)	0.037 (4)	0.5
H19	0.0361	1.0935	0.2541	0.044*	0.5
C20	−0.1373 (5)	0.8957 (8)	0.2173 (6)	0.034 (2)	0.5
H20A	−0.1550	0.8755	0.1662	0.051*	0.5
H20B	−0.1659	0.9462	0.2261	0.051*	0.5
H20C	−0.1367	0.8411	0.2491	0.051*	0.5
C21	0.1067 (6)	0.9243 (7)	0.2723 (6)	0.030 (2)	0.5
H21A	0.1261	0.9091	0.3243	0.045*	0.5
H21B	0.1295	0.9803	0.2612	0.045*	0.5
H21C	0.1126	0.8698	0.2433	0.045*	0.5
O9	0.3252 (14)	0.7269 (9)	0.3616 (17)	0.034 (3)	0.625 (15)
C23	0.3548 (9)	0.5629 (10)	0.3719 (8)	0.038 (3)	0.625 (15)
H23A	0.3132	0.5457	0.3330	0.057*	0.625 (15)
H23B	0.3473	0.5604	0.4191	0.057*	0.625 (15)
H23C	0.3903	0.5177	0.3721	0.057*	0.625 (15)
C22	0.3752 (7)	0.6610 (9)	0.3592 (8)	0.027 (3)	0.625 (15)
H22A	0.4184	0.6774	0.3970	0.033*	0.625 (15)
H22B	0.3815	0.6642	0.3110	0.033*	0.625 (15)
C24	0.3390 (5)	0.8233 (8)	0.3464 (6)	0.032 (2)	0.625 (15)
H24A	0.3523	0.8250	0.3021	0.038*	0.625 (15)
H24B	0.3766	0.8490	0.3877	0.038*	0.625 (15)
C25	0.2780 (5)	0.8827 (7)	0.3352 (5)	0.045 (2)	0.625 (15)
H25A	0.2418	0.8594	0.2924	0.068*	0.625 (15)
H25B	0.2881	0.9493	0.3274	0.068*	0.625 (15)
H25C	0.2639	0.8784	0.3783	0.068*	0.625 (15)
O9A	0.333 (3)	0.7156 (16)	0.371 (3)	0.033 (6)	0.375 (15)
C22A	0.3655 (13)	0.6404 (13)	0.3477 (13)	0.029 (5)	0.375 (15)
H22C	0.4123	0.6592	0.3540	0.035*	0.375 (15)
H22D	0.3422	0.6280	0.2952	0.035*	0.375 (15)
C24A	0.3289 (11)	0.8017 (10)	0.3296 (9)	0.027 (4)	0.375 (15)
H24C	0.2916	0.7966	0.2827	0.032*	0.375 (15)
H24D	0.3712	0.8108	0.3188	0.032*	0.375 (15)
C23A	0.3655 (13)	0.5520 (12)	0.3901 (11)	0.020 (3)	0.375 (15)
H23D	0.3939	0.5037	0.3783	0.030*	0.375 (15)
H23E	0.3195	0.5277	0.3776	0.030*	0.375 (15)
H23F	0.3831	0.5665	0.4424	0.030*	0.375 (15)
C25A	0.3175 (8)	0.8841 (9)	0.3715 (8)	0.037 (4)	0.375 (15)
H25D	0.3118	0.9421	0.3419	0.056*	0.375 (15)
H25E	0.3562	0.8918	0.4161	0.056*	0.375 (15)
H25F	0.2770	0.8731	0.3844	0.056*	0.375 (15)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Re1	0.01832 (7)	0.01206 (7)	0.02740 (8)	0.00109 (5)	0.00727 (5)	−0.00045 (5)
Re2	0.01763 (7)	0.01595 (7)	0.02291 (7)	0.00130 (5)	0.00757 (5)	−0.00270 (5)
O1	0.053 (2)	0.039 (2)	0.0373 (17)	0.0041 (16)	0.0264 (16)	0.0060 (14)
O2	0.0337 (15)	0.0177 (14)	0.0362 (15)	0.0062 (12)	0.0156 (12)	0.0079 (12)
O3	0.052 (2)	0.0295 (17)	0.0295 (16)	0.0116 (15)	0.0032 (14)	−0.0019 (13)
O4	0.0295 (17)	0.0229 (19)	0.163 (5)	−0.0023 (14)	0.029 (2)	−0.004 (2)
O5	0.0373 (18)	0.075 (3)	0.0284 (16)	0.0133 (18)	0.0116 (14)	−0.0083 (17)
O6	0.0276 (14)	0.0205 (15)	0.059 (2)	0.0059 (12)	0.0128 (14)	−0.0041 (14)
O7	0.0361 (16)	0.0266 (16)	0.0279 (15)	0.0001 (12)	0.0122 (12)	0.0020 (12)
O8	0.0324 (15)	0.0296 (17)	0.0465 (18)	−0.0084 (13)	0.0202 (14)	−0.0073 (14)
C1	0.0295 (19)	0.0196 (19)	0.035 (2)	0.0015 (15)	0.0191 (17)	0.0027 (16)
C2	0.0258 (17)	0.0211 (19)	0.0217 (16)	−0.0004 (14)	0.0107 (14)	0.0010 (14)
C3	0.0299 (19)	0.0134 (18)	0.032 (2)	0.0042 (15)	0.0052 (16)	−0.0015 (15)
C4	0.026 (2)	0.016 (2)	0.088 (4)	0.0035 (17)	0.018 (2)	0.001 (2)
C5	0.0239 (18)	0.030 (2)	0.032 (2)	0.0046 (16)	0.0101 (16)	−0.0061 (17)
C6	0.0214 (17)	0.023 (2)	0.036 (2)	−0.0010 (15)	0.0117 (16)	−0.0049 (17)
C7	0.0233 (17)	0.0119 (16)	0.0270 (18)	0.0007 (13)	0.0099 (14)	0.0018 (13)
C8	0.0289 (18)	0.0175 (18)	0.0281 (19)	0.0023 (15)	0.0127 (15)	−0.0021 (15)
Pd1	0.02756 (18)	0.00932 (17)	0.01613 (16)	0.000	0.00962 (14)	0.000
N1	0.0257 (15)	0.0122 (14)	0.0230 (14)	−0.0005 (12)	0.0062 (12)	−0.0024 (12)
N2	0.0265 (15)	0.0175 (16)	0.0190 (14)	−0.0068 (12)	0.0085 (12)	−0.0013 (11)
N3	0.0223 (15)	0.0286 (19)	0.0294 (17)	−0.0082 (13)	0.0101 (13)	−0.0123 (14)
C9	0.015 (2)	0.012 (2)	0.020 (2)	0.000	0.0026 (17)	0.000
C10	0.042 (2)	0.0100 (17)	0.033 (2)	0.0016 (16)	0.0093 (18)	−0.0034 (15)
C11	0.036 (2)	0.022 (2)	0.0274 (19)	0.0000 (17)	0.0123 (17)	−0.0041 (16)
C12	0.0253 (17)	0.0152 (17)	0.0201 (16)	−0.0068 (14)	0.0096 (14)	−0.0023 (13)
C13	0.031 (2)	0.026 (2)	0.0219 (17)	−0.0112 (16)	0.0042 (15)	−0.0039 (15)
C14	0.0220 (18)	0.031 (2)	0.034 (2)	−0.0065 (16)	0.0023 (16)	−0.0061 (18)
C15	0.033 (2)	0.026 (2)	0.0236 (18)	−0.0035 (17)	0.0148 (16)	−0.0063 (16)
C16	0.025 (2)	0.047 (3)	0.041 (2)	−0.0039 (19)	0.0137 (18)	−0.019 (2)
N4	0.035 (4)	0.023 (4)	0.021 (4)	0.014 (4)	0.012 (5)	0.004 (3)
N5	0.041 (4)	0.020 (4)	0.019 (4)	−0.005 (3)	0.017 (4)	−0.004 (3)
C17	0.030 (6)	0.015 (3)	0.013 (4)	0.004 (3)	0.011 (7)	0.000 (3)
C18	0.074 (6)	0.019 (4)	0.026 (5)	0.018 (4)	0.024 (5)	0.010 (3)
C19	0.068 (9)	0.016 (3)	0.029 (4)	−0.001 (5)	0.020 (12)	−0.001 (5)
C20	0.039 (5)	0.041 (7)	0.027 (5)	0.018 (4)	0.017 (5)	0.009 (5)
C21	0.043 (5)	0.020 (5)	0.032 (5)	−0.017 (5)	0.018 (6)	−0.003 (4)
O9	0.038 (5)	0.033 (5)	0.037 (9)	−0.011 (5)	0.021 (6)	−0.010 (5)
C23	0.043 (8)	0.046 (5)	0.022 (7)	0.000 (5)	0.008 (6)	0.001 (4)
C22	0.021 (4)	0.036 (5)	0.026 (5)	−0.005 (4)	0.010 (4)	−0.005 (4)
C24	0.035 (4)	0.036 (5)	0.023 (5)	−0.008 (4)	0.006 (4)	−0.006 (4)
C25	0.050 (6)	0.043 (5)	0.038 (5)	0.002 (4)	0.008 (4)	−0.006 (4)
O9A	0.055 (15)	0.022 (5)	0.028 (9)	0.000 (6)	0.022 (10)	0.002 (5)
C22A	0.037 (11)	0.028 (8)	0.019 (8)	0.001 (7)	0.005 (7)	0.003 (7)
C24A	0.044 (9)	0.016 (6)	0.015 (7)	−0.005 (6)	0.002 (6)	−0.006 (4)
C23A	0.023 (7)	0.023 (6)	0.009 (8)	−0.007 (5)	−0.001 (6)	−0.005 (5)
C25A	0.044 (8)	0.024 (6)	0.046 (8)	0.005 (5)	0.016 (7)	−0.006 (5)

Geometric parameters (Å, º)

Re1—Re1^i	2.9767 (3)	C16—H16B	0.9800
Re1—Re2^i	3.0133 (2)	C16—H16C	0.9800
Re1—Re2	3.0011 (2)	N4—C17	1.353 (9)
Re1—C1	1.973 (4)	N4—C18	1.373 (11)
Re1—C2	1.909 (4)	N4—C20	1.464 (11)
Re1—C3	1.978 (4)	N5—C17	1.352 (9)
Re1—C4	1.925 (5)	N5—C19	1.378 (11)
Re2—Re1^i	3.0134 (2)	N5—C21	1.436 (11)
Re2—C5	1.980 (4)	C18—H18	0.9500
Re2—C6	1.904 (4)	C18—C19	1.349 (15)
Re2—C7	1.982 (4)	C19—H19	0.9500
Re2—C8	1.908 (4)	C20—H20A	0.9800
O1—C1	1.150 (5)	C20—H20B	0.9800
O2—C2	1.167 (5)	C20—H20C	0.9800
O3—C3	1.150 (5)	C21—H21A	0.9800
O4—C4	1.145 (6)	C21—H21B	0.9800
O5—C5	1.139 (5)	C21—H21C	0.9800
O6—C6	1.153 (5)	O9—C22	1.415 (12)
O7—C7	1.140 (5)	O9—C24	1.431 (12)
O8—C8	1.151 (5)	C23—H23A	0.9800
Pd1—C9	2.019 (5)	C23—H23B	0.9800
Pd1—C12^ii	2.042 (4)	C23—H23C	0.9800
Pd1—C12	2.042 (4)	C23—C22	1.486 (12)
Pd1—C17	2.064 (6)	C22—H22A	0.9900
N1—C9	1.353 (4)	C22—H22B	0.9900
N1—C10	1.375 (5)	C24—H24A	0.9900
N1—C11	1.464 (5)	C24—H24B	0.9900
N2—C12	1.353 (4)	C24—C25	1.488 (12)
N2—C13	1.375 (5)	C25—H25A	0.9800
N2—C15	1.446 (5)	C25—H25B	0.9800
N3—C12	1.347 (5)	C25—H25C	0.9800
N3—C14	1.387 (5)	O9A—C22A	1.413 (16)
N3—C16	1.467 (5)	O9A—C24A	1.439 (16)
C9—N1^ii	1.353 (4)	C22A—H22C	0.9900
C10—C10^ii	1.343 (8)	C22A—H22D	0.9900
C10—H10	0.9500	C22A—C23A	1.487 (15)
C11—H11A	0.9800	C24A—H24C	0.9900
C11—H11B	0.9800	C24A—H24D	0.9900
C11—H11C	0.9800	C24A—C25A	1.479 (14)
C13—H13	0.9500	C23A—H23D	0.9800
C13—C14	1.338 (6)	C23A—H23E	0.9800
C14—H14	0.9500	C23A—H23F	0.9800
C15—H15A	0.9800	C25A—H25D	0.9800
C15—H15B	0.9800	C25A—H25E	0.9800
C15—H15C	0.9800	C25A—H25F	0.9800
C16—H16A	0.9800
Re1^i—Re1—Re2	60.542 (6)	H15B—C15—H15C	109.5
Re1^i—Re1—Re2^i	60.127 (5)	N3—C16—H16A	109.5
Re2—Re1—Re2^i	120.669 (6)	N3—C16—H16B	109.5
C1—Re1—Re1^i	91.41 (12)	N3—C16—H16C	109.5
C1—Re1—Re2^i	91.11 (12)	H16A—C16—H16B	109.5
C1—Re1—Re2	90.28 (12)	H16A—C16—H16C	109.5
C1—Re1—C3	179.77 (18)	H16B—C16—H16C	109.5
C2—Re1—Re1^i	134.85 (11)	C17—N4—C18	112.1 (9)
C2—Re1—Re2	164.59 (11)	C17—N4—C20	126.2 (8)
C2—Re1—Re2^i	74.73 (11)	C18—N4—C20	121.7 (9)
C2—Re1—C1	88.73 (16)	C17—N5—C19	111.2 (8)
C2—Re1—C3	91.05 (15)	C17—N5—C21	125.8 (8)
C2—Re1—C4	90.39 (17)	C19—N5—C21	122.9 (9)
C3—Re1—Re1^i	88.79 (11)	N4—C17—Pd1	130.5 (6)
C3—Re1—Re2	89.91 (11)	N5—C17—Pd1	125.7 (6)
C3—Re1—Re2^i	88.89 (12)	N5—C17—N4	103.8 (8)
C4—Re1—Re1^i	134.75 (13)	N4—C18—H18	127.0
C4—Re1—Re2^i	165.04 (13)	C19—C18—N4	105.9 (9)
C4—Re1—Re2	74.23 (13)	C19—C18—H18	127.0
C4—Re1—C1	90.0 (2)	N5—C19—H19	126.5
C4—Re1—C3	89.9 (2)	C18—C19—N5	107.0 (9)
Re1—Re2—Re1^i	59.330 (6)	C18—C19—H19	126.5
C5—Re2—Re1^i	89.40 (12)	N4—C20—H20A	109.5
C5—Re2—Re1	87.57 (12)	N4—C20—H20B	109.5
C5—Re2—C7	176.24 (15)	N4—C20—H20C	109.5
C6—Re2—Re1	163.81 (12)	H20A—C20—H20B	109.5
C6—Re2—Re1^i	104.51 (12)	H20A—C20—H20C	109.5
C6—Re2—C5	91.43 (17)	H20B—C20—H20C	109.5
C6—Re2—C7	91.67 (16)	N5—C21—H21A	109.5
C6—Re2—C8	91.55 (16)	N5—C21—H21B	109.5
C7—Re2—Re1	88.86 (10)	N5—C21—H21C	109.5
C7—Re2—Re1^i	87.76 (11)	H21A—C21—H21B	109.5
C8—Re2—Re1^i	163.93 (12)	H21A—C21—H21C	109.5
C8—Re2—Re1	104.61 (12)	H21B—C21—H21C	109.5
C8—Re2—C5	90.28 (17)	C22—O9—C24	113.7 (13)
C8—Re2—C7	91.76 (15)	H23A—C23—H23B	109.5
O1—C1—Re1	174.2 (4)	H23A—C23—H23C	109.5
O2—C2—Re1	172.3 (3)	H23B—C23—H23C	109.5
O3—C3—Re1	174.7 (4)	C22—C23—H23A	109.5
O4—C4—Re1	174.2 (4)	C22—C23—H23B	109.5
O5—C5—Re2	175.9 (4)	C22—C23—H23C	109.5
O6—C6—Re2	179.4 (4)	O9—C22—C23	109.7 (11)
O7—C7—Re2	175.8 (3)	O9—C22—H22A	109.7
O8—C8—Re2	178.7 (4)	O9—C22—H22B	109.7
C9—Pd1—C12	87.72 (10)	C23—C22—H22A	109.7
C9—Pd1—C12^ii	87.72 (10)	C23—C22—H22B	109.7
C9—Pd1—C17	173.0 (2)	H22A—C22—H22B	108.2
C12^ii—Pd1—C12	175.4 (2)	O9—C24—H24A	109.8
C12^ii—Pd1—C17	86.9 (4)	O9—C24—H24B	109.8
C12—Pd1—C17	97.7 (4)	O9—C24—C25	109.4 (11)
C9—N1—C10	110.8 (3)	H24A—C24—H24B	108.2
C9—N1—C11	125.2 (3)	C25—C24—H24A	109.8
C10—N1—C11	124.0 (3)	C25—C24—H24B	109.8
C12—N2—C13	111.0 (3)	C24—C25—H25A	109.5
C12—N2—C15	125.0 (3)	C24—C25—H25B	109.5
C13—N2—C15	123.9 (3)	C24—C25—H25C	109.5
C12—N3—C14	110.9 (3)	H25A—C25—H25B	109.5
C12—N3—C16	126.1 (3)	H25A—C25—H25C	109.5
C14—N3—C16	123.1 (4)	H25B—C25—H25C	109.5
N1^ii—C9—Pd1	127.7 (2)	C22A—O9A—C24A	113 (2)
N1—C9—Pd1	127.7 (2)	O9A—C22A—H22C	109.5
N1—C9—N1^ii	104.6 (4)	O9A—C22A—H22D	109.5
N1—C10—H10	126.6	O9A—C22A—C23A	110.6 (16)
C10^ii—C10—N1	106.9 (2)	H22C—C22A—H22D	108.1
C10^ii—C10—H10	126.6	C23A—C22A—H22C	109.5
N1—C11—H11A	109.5	C23A—C22A—H22D	109.5
N1—C11—H11B	109.5	O9A—C24A—H24C	109.8
N1—C11—H11C	109.5	O9A—C24A—H24D	109.8
H11A—C11—H11B	109.5	O9A—C24A—C25A	109.5 (18)
H11A—C11—H11C	109.5	H24C—C24A—H24D	108.2
H11B—C11—H11C	109.5	C25A—C24A—H24C	109.8
N2—C12—Pd1	127.2 (3)	C25A—C24A—H24D	109.8
N3—C12—Pd1	128.1 (3)	C22A—C23A—H23D	109.5
N3—C12—N2	104.6 (3)	C22A—C23A—H23E	109.5
N2—C13—H13	126.5	C22A—C23A—H23F	109.5
C14—C13—N2	107.0 (3)	H23D—C23A—H23E	109.5
C14—C13—H13	126.5	H23D—C23A—H23F	109.5
N3—C14—H14	126.7	H23E—C23A—H23F	109.5
C13—C14—N3	106.6 (4)	C24A—C25A—H25D	109.5
C13—C14—H14	126.7	C24A—C25A—H25E	109.5
N2—C15—H15A	109.5	C24A—C25A—H25F	109.5
N2—C15—H15B	109.5	H25D—C25A—H25E	109.5
N2—C15—H15C	109.5	H25D—C25A—H25F	109.5
H15A—C15—H15B	109.5	H25E—C25A—H25F	109.5
H15A—C15—H15C	109.5
N2—C13—C14—N3	0.1 (5)	C16—N3—C14—C13	179.1 (4)
C9—N1—C10—C10^ii	0.6 (6)	N4—C18—C19—N5	2 (3)
C10—N1—C9—Pd1	179.8 (2)	C17—N4—C18—C19	−2 (2)
C10—N1—C9—N1^ii	−0.2 (2)	C17—N5—C19—C18	−2 (3)
C11—N1—C9—Pd1	−1.0 (4)	C18—N4—C17—Pd1	−178.0 (11)
C11—N1—C9—N1^ii	179.0 (4)	C18—N4—C17—N5	0.7 (17)
C11—N1—C10—C10^ii	−178.6 (4)	C19—N5—C17—Pd1	179.6 (18)
C12—N2—C13—C14	0.0 (5)	C19—N5—C17—N4	1 (2)
C12—N3—C14—C13	−0.3 (5)	C20—N4—C17—Pd1	−1 (2)
C13—N2—C12—Pd1	175.6 (3)	C20—N4—C17—N5	177.6 (9)
C13—N2—C12—N3	−0.2 (4)	C20—N4—C18—C19	−179.0 (17)
C14—N3—C12—Pd1	−175.4 (3)	C21—N5—C17—Pd1	−4 (2)
C14—N3—C12—N2	0.3 (4)	C21—N5—C17—N4	177.6 (9)
C15—N2—C12—Pd1	−6.8 (5)	C21—N5—C19—C18	−179.0 (14)
C15—N2—C12—N3	177.5 (3)	C22—O9—C24—C25	168.3 (18)
C15—N2—C13—C14	−177.7 (4)	C24—O9—C22—C23	−177.2 (18)
C16—N3—C12—Pd1	5.2 (6)	C22A—O9A—C24A—C25A	−160 (3)
C16—N3—C12—N2	−179.1 (4)	C24A—O9A—C22A—C23A	−177 (3)

Symmetry codes: (i) −x+1/2, −y+3/2, −z; (ii) −x, y, −z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C11—H11A···O4^iii	0.98	2.49	3.436 (6)	161
C13—H13···O9^iv	0.95	2.44	3.36 (3)	165
C13—H13···O9A^iv	0.95	2.32	3.25 (5)	163
C15—H15A···O6^v	0.98	2.44	3.326 (5)	150
C16—H16B···O9	0.98	2.57	3.49 (3)	158
C18—H18···O7^vi	0.95	2.43	3.230 (9)	141
C19—H19···O7^v	0.95	2.56	3.483 (16)	163
C20—H20C···O5^ii	0.98	2.35	3.203 (12)	145
C21—H21A···O2^vii	0.98	2.54	3.413 (11)	149
C21—H21C···O5	0.98	2.59	3.494 (12)	153
C24—H24B···O8^viii	0.99	2.58	3.473 (12)	150

Symmetry codes: (ii) −x, y, −z+1/2; (iii) −x, −y+1, −z; (iv) −x+1/2, −y+3/2, −z+1; (v) x, −y+2, z+1/2; (vi) −x, −y+2, −z; (vii) −x+1/2, y+1/2, −z+1/2; (viii) x+1/2, −y+3/2, z+1/2.

Octa-µ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium (2)

Crystal data

[Pd4Re2(C18H15P)4(CO)10]	Z = 1
Mr = 2127.18	F(000) = 1026
Triclinic, P1	Dx = 1.715 Mg m^−3
a = 12.9278 (4) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.5132 (5) Å	Cell parameters from 9325 reflections
c = 14.1184 (5) Å	θ = 2.8–29.6°
α = 105.983 (1)°	µ = 3.91 mm^−1
β = 108.510 (1)°	T = 100 K
γ = 106.129 (1)°	Block, red
V = 2060.09 (12) Å^3	0.23 × 0.18 × 0.18 mm

Data collection

Bruker APEXII CCD diffractometer	10906 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.042
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	θmax = 29.7°, θmin = 2.8°
Tmin = 0.515, Tmax = 0.746	h = −17→17
151194 measured reflections	k = −18→18
11588 independent reflections	l = −19→19

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.018	w = 1/[σ^2(Fo^2) + (0.0148P)^2 + 2.1161P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.042	(Δ/σ)max = 0.005
S = 1.10	Δρmax = 0.95 e Å^−3
11588 reflections	Δρmin = −0.70 e Å^−3
461 parameters	Extinction correction: SHELXL-2014/7 (Sheldrick 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00119 (9)
Primary atom site location: dual

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Re1	−0.03789 (2)	0.58284 (2)	0.59592 (2)	0.01288 (3)
Pd1	0.11939 (2)	0.64837 (2)	0.50923 (2)	0.01377 (3)
Pd2	0.13798 (2)	0.50124 (2)	0.63029 (2)	0.01360 (3)
P1	0.27753 (4)	0.79978 (4)	0.52970 (4)	0.01537 (9)
P2	0.27280 (5)	0.48255 (4)	0.77255 (4)	0.01634 (10)
O1	−0.11990 (18)	0.71938 (18)	0.74578 (16)	0.0433 (5)
O2	−0.12746 (15)	0.42760 (14)	0.70708 (13)	0.0266 (3)
O3	0.18975 (14)	0.70585 (13)	0.81880 (12)	0.0236 (3)
O4	0.03880 (14)	0.82425 (13)	0.59258 (13)	0.0240 (3)
O5	0.30356 (13)	0.45945 (14)	0.53745 (13)	0.0236 (3)
C1	−0.0874 (2)	0.66930 (19)	0.69145 (18)	0.0246 (4)
C2	−0.10429 (18)	0.45891 (18)	0.64488 (17)	0.0198 (4)
C3	0.12010 (18)	0.64157 (17)	0.73175 (16)	0.0178 (4)
C4	0.03254 (17)	0.73328 (17)	0.57964 (16)	0.0175 (4)
C5	0.20750 (18)	0.45438 (17)	0.51815 (16)	0.0174 (4)
C6	0.37893 (17)	0.75557 (17)	0.48099 (17)	0.0188 (4)
C7	0.4316 (2)	0.69504 (19)	0.53169 (19)	0.0242 (4)
H7	0.4156	0.6822	0.5894	0.029*
C8	0.5067 (2)	0.65387 (19)	0.4984 (2)	0.0270 (5)
H8	0.5409	0.6118	0.5322	0.032*
C9	0.5315 (2)	0.6744 (2)	0.41544 (19)	0.0283 (5)
H9	0.5830	0.6464	0.3924	0.034*
C10	0.4819 (2)	0.7353 (2)	0.36630 (19)	0.0278 (5)
H10	0.5008	0.7504	0.3106	0.033*
C11	0.40389 (18)	0.77520 (18)	0.39750 (17)	0.0215 (4)
H11	0.3683	0.8154	0.3619	0.026*
C12	0.38172 (18)	0.90224 (17)	0.66794 (16)	0.0180 (4)
C13	0.34659 (19)	0.91169 (18)	0.75257 (17)	0.0216 (4)
H13	0.2686	0.8649	0.7381	0.026*
C14	0.4253 (2)	0.9896 (2)	0.85853 (18)	0.0264 (5)
H14	0.4004	0.9956	0.9156	0.032*
C15	0.5392 (2)	1.0578 (2)	0.88081 (19)	0.0299 (5)
H15	0.5922	1.1113	0.9527	0.036*
C16	0.5758 (2)	1.0476 (2)	0.7971 (2)	0.0292 (5)
H16	0.6544	1.0935	0.8122	0.035*
C17	0.49795 (19)	0.97081 (18)	0.69209 (18)	0.0230 (4)
H17	0.5237	0.9645	0.6356	0.028*
C18	0.22924 (18)	0.88071 (17)	0.45395 (16)	0.0184 (4)
C19	0.3060 (2)	0.98359 (18)	0.46489 (18)	0.0229 (4)
H19	0.3875	1.0152	0.5148	0.027*
C20	0.2634 (2)	1.0399 (2)	0.4029 (2)	0.0281 (5)
H20	0.3162	1.1093	0.4102	0.034*
C21	0.1449 (2)	0.9955 (2)	0.3312 (2)	0.0347 (6)
H21	0.1161	1.0346	0.2897	0.042*
C22	0.0676 (2)	0.8933 (3)	0.3198 (2)	0.0387 (6)
H22	−0.0139	0.8622	0.2699	0.046*
C23	0.1098 (2)	0.8368 (2)	0.3815 (2)	0.0282 (5)
H23	0.0566	0.7676	0.3742	0.034*
C24	0.42622 (18)	0.57138 (19)	0.80973 (17)	0.0208 (4)
C25	0.5207 (2)	0.5376 (2)	0.8357 (2)	0.0294 (5)
H25	0.5070	0.4651	0.8366	0.035*
C26	0.6346 (2)	0.6093 (2)	0.8602 (2)	0.0401 (6)
H26	0.6982	0.5855	0.8774	0.048*
C27	0.6561 (2)	0.7155 (3)	0.8598 (2)	0.0409 (6)
H27	0.7342	0.7642	0.8765	0.049*
C28	0.5630 (2)	0.7502 (3)	0.8347 (3)	0.0415 (7)
H28	0.5776	0.8233	0.8353	0.050*
C29	0.4486 (2)	0.6779 (2)	0.8087 (2)	0.0326 (5)
H29	0.3850	0.7015	0.7901	0.039*
C30	0.26705 (19)	0.34177 (18)	0.75156 (17)	0.0199 (4)
C31	0.3181 (2)	0.3138 (2)	0.83814 (19)	0.0296 (5)
H31	0.3604	0.3699	0.9103	0.036*
C32	0.3073 (3)	0.2043 (2)	0.8192 (2)	0.0365 (6)
H32	0.3425	0.1860	0.8784	0.044*
C33	0.2453 (2)	0.1214 (2)	0.7143 (2)	0.0335 (5)
H33	0.2382	0.0465	0.7018	0.040*
C34	0.1937 (2)	0.1477 (2)	0.6279 (2)	0.0280 (5)
H34	0.1506	0.0909	0.5561	0.034*
C35	0.20507 (19)	0.25749 (18)	0.64649 (17)	0.0213 (4)
H35	0.1702	0.2754	0.5869	0.026*
C36	0.25498 (19)	0.52324 (18)	0.89861 (16)	0.0201 (4)
C37	0.1507 (2)	0.4569 (2)	0.8988 (2)	0.0303 (5)
H37	0.0943	0.3913	0.8359	0.036*
C38	0.1295 (3)	0.4865 (3)	0.9907 (2)	0.0414 (7)
H38	0.0592	0.4403	0.9910	0.050*
C39	0.2099 (3)	0.5825 (3)	1.0819 (2)	0.0443 (7)
H39	0.1948	0.6030	1.1446	0.053*
C40	0.3120 (3)	0.6484 (2)	1.0815 (2)	0.0407 (7)
H40	0.3671	0.7148	1.1441	0.049*
C41	0.3356 (2)	0.6192 (2)	0.99088 (18)	0.0277 (5)
H41	0.4070	0.6649	0.9920	0.033*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Re1	0.01245 (4)	0.01357 (4)	0.01647 (4)	0.00659 (3)	0.00863 (3)	0.00710 (3)
Pd1	0.01249 (7)	0.01311 (7)	0.01861 (7)	0.00468 (5)	0.00858 (5)	0.00854 (5)
Pd2	0.01236 (7)	0.01464 (7)	0.01648 (7)	0.00662 (5)	0.00670 (5)	0.00807 (5)
P1	0.0134 (2)	0.0141 (2)	0.0215 (2)	0.00506 (18)	0.00935 (18)	0.00943 (19)
P2	0.0163 (2)	0.0175 (2)	0.0174 (2)	0.00879 (19)	0.00679 (18)	0.00836 (19)
O1	0.0443 (11)	0.0454 (11)	0.0439 (11)	0.0246 (9)	0.0282 (9)	0.0054 (9)
O2	0.0308 (8)	0.0263 (8)	0.0236 (7)	0.0053 (7)	0.0156 (7)	0.0124 (6)
O3	0.0248 (8)	0.0196 (7)	0.0221 (7)	0.0100 (6)	0.0058 (6)	0.0062 (6)
O4	0.0241 (8)	0.0162 (7)	0.0341 (8)	0.0097 (6)	0.0128 (7)	0.0111 (6)
O5	0.0180 (7)	0.0314 (8)	0.0300 (8)	0.0145 (6)	0.0135 (6)	0.0156 (7)
C1	0.0216 (10)	0.0260 (11)	0.0263 (10)	0.0104 (9)	0.0120 (9)	0.0075 (9)
C2	0.0168 (9)	0.0221 (10)	0.0220 (9)	0.0069 (8)	0.0104 (8)	0.0090 (8)
C3	0.0190 (9)	0.0182 (9)	0.0213 (9)	0.0089 (8)	0.0109 (8)	0.0109 (8)
C4	0.0138 (8)	0.0190 (9)	0.0199 (9)	0.0070 (7)	0.0074 (7)	0.0073 (7)
C5	0.0190 (9)	0.0161 (9)	0.0218 (9)	0.0082 (7)	0.0109 (8)	0.0101 (7)
C6	0.0142 (9)	0.0151 (9)	0.0270 (10)	0.0041 (7)	0.0108 (8)	0.0079 (8)
C7	0.0234 (10)	0.0231 (10)	0.0361 (12)	0.0112 (9)	0.0180 (9)	0.0177 (9)
C8	0.0252 (11)	0.0224 (11)	0.0411 (13)	0.0132 (9)	0.0172 (10)	0.0163 (10)
C9	0.0222 (11)	0.0284 (12)	0.0331 (12)	0.0127 (9)	0.0131 (9)	0.0063 (9)
C10	0.0257 (11)	0.0367 (13)	0.0256 (10)	0.0144 (10)	0.0157 (9)	0.0113 (9)
C11	0.0174 (9)	0.0242 (10)	0.0233 (10)	0.0077 (8)	0.0092 (8)	0.0104 (8)
C12	0.0175 (9)	0.0154 (9)	0.0226 (9)	0.0069 (7)	0.0079 (8)	0.0100 (7)
C13	0.0216 (10)	0.0218 (10)	0.0255 (10)	0.0108 (8)	0.0098 (8)	0.0132 (8)
C14	0.0305 (12)	0.0291 (11)	0.0236 (10)	0.0146 (10)	0.0112 (9)	0.0139 (9)
C15	0.0316 (12)	0.0213 (11)	0.0251 (11)	0.0071 (9)	0.0031 (9)	0.0071 (9)
C16	0.0219 (11)	0.0220 (11)	0.0326 (12)	0.0024 (9)	0.0058 (9)	0.0089 (9)
C17	0.0201 (10)	0.0196 (10)	0.0287 (10)	0.0060 (8)	0.0104 (8)	0.0110 (8)
C18	0.0200 (9)	0.0191 (9)	0.0228 (9)	0.0097 (8)	0.0122 (8)	0.0120 (8)
C19	0.0243 (10)	0.0201 (10)	0.0284 (10)	0.0082 (8)	0.0143 (9)	0.0126 (8)
C20	0.0370 (13)	0.0227 (11)	0.0358 (12)	0.0133 (10)	0.0215 (10)	0.0190 (10)
C21	0.0403 (14)	0.0394 (14)	0.0441 (14)	0.0236 (12)	0.0217 (12)	0.0318 (12)
C22	0.0243 (12)	0.0525 (17)	0.0478 (15)	0.0158 (12)	0.0116 (11)	0.0357 (14)
C23	0.0199 (10)	0.0316 (12)	0.0356 (12)	0.0069 (9)	0.0106 (9)	0.0219 (10)
C24	0.0159 (9)	0.0252 (10)	0.0209 (9)	0.0081 (8)	0.0070 (8)	0.0097 (8)
C25	0.0229 (11)	0.0282 (12)	0.0347 (12)	0.0144 (9)	0.0076 (9)	0.0103 (10)
C26	0.0217 (12)	0.0435 (15)	0.0497 (16)	0.0166 (11)	0.0105 (11)	0.0130 (13)
C27	0.0200 (11)	0.0465 (16)	0.0527 (16)	0.0072 (11)	0.0150 (11)	0.0218 (14)
C28	0.0262 (13)	0.0395 (15)	0.0630 (18)	0.0097 (11)	0.0167 (12)	0.0322 (14)
C29	0.0216 (11)	0.0350 (13)	0.0496 (15)	0.0127 (10)	0.0150 (11)	0.0278 (12)
C30	0.0208 (10)	0.0204 (10)	0.0236 (10)	0.0118 (8)	0.0100 (8)	0.0115 (8)
C31	0.0352 (13)	0.0260 (11)	0.0273 (11)	0.0163 (10)	0.0071 (10)	0.0134 (9)
C32	0.0438 (15)	0.0329 (13)	0.0403 (14)	0.0248 (12)	0.0120 (12)	0.0223 (11)
C33	0.0376 (13)	0.0249 (12)	0.0465 (14)	0.0204 (11)	0.0179 (12)	0.0183 (11)
C34	0.0304 (12)	0.0219 (11)	0.0335 (12)	0.0132 (9)	0.0152 (10)	0.0087 (9)
C35	0.0213 (10)	0.0202 (10)	0.0238 (10)	0.0097 (8)	0.0098 (8)	0.0093 (8)
C36	0.0226 (10)	0.0250 (10)	0.0195 (9)	0.0154 (8)	0.0091 (8)	0.0120 (8)
C37	0.0246 (11)	0.0393 (14)	0.0319 (12)	0.0155 (10)	0.0143 (10)	0.0157 (10)
C38	0.0430 (16)	0.0624 (19)	0.0491 (16)	0.0326 (15)	0.0350 (14)	0.0348 (15)
C39	0.076 (2)	0.0585 (19)	0.0360 (14)	0.0490 (18)	0.0393 (15)	0.0307 (14)
C40	0.068 (2)	0.0340 (14)	0.0219 (11)	0.0274 (14)	0.0168 (12)	0.0101 (10)
C41	0.0364 (13)	0.0240 (11)	0.0215 (10)	0.0124 (10)	0.0105 (9)	0.0094 (9)

Geometric parameters (Å, º)

Re1—Pd1^i	2.7748 (2)	C15—H15	0.9500
Re1—Pd1	2.7555 (2)	C15—C16	1.394 (4)
Re1—Pd2^i	2.7796 (2)	C16—H16	0.9500
Re1—Pd2	2.7582 (2)	C16—C17	1.383 (3)
Re1—C1	1.921 (2)	C17—H17	0.9500
Re1—C2	2.058 (2)	C18—C19	1.400 (3)
Re1—C3	2.062 (2)	C18—C23	1.391 (3)
Re1—C4	2.092 (2)	C19—H19	0.9500
Re1—C5^i	2.087 (2)	C19—C20	1.393 (3)
Pd1—Re1^i	2.7747 (2)	C20—H20	0.9500
Pd1—Pd2	2.9678 (2)	C20—C21	1.379 (4)
Pd1—Pd2^i	2.9909 (2)	C21—H21	0.9500
Pd1—P1	2.3291 (5)	C21—C22	1.393 (4)
Pd1—C2^i	2.170 (2)	C22—H22	0.9500
Pd1—C4	2.088 (2)	C22—C23	1.392 (3)
Pd2—Re1^i	2.7796 (2)	C23—H23	0.9500
Pd2—Pd1^i	2.9910 (2)	C24—C25	1.398 (3)
Pd2—P2	2.3317 (5)	C24—C29	1.393 (3)
Pd2—C3	2.158 (2)	C25—H25	0.9500
Pd2—C5	2.094 (2)	C25—C26	1.387 (4)
P1—C6	1.825 (2)	C26—H26	0.9500
P1—C12	1.830 (2)	C26—C27	1.385 (4)
P1—C18	1.825 (2)	C27—H27	0.9500
P2—C24	1.822 (2)	C27—C28	1.389 (4)
P2—C30	1.819 (2)	C28—H28	0.9500
P2—C36	1.821 (2)	C28—C29	1.390 (3)
O1—C1	1.140 (3)	C29—H29	0.9500
O2—C2	1.158 (3)	C30—C31	1.398 (3)
O3—C3	1.162 (2)	C30—C35	1.396 (3)
O4—C4	1.167 (3)	C31—H31	0.9500
O5—C5	1.161 (2)	C31—C32	1.386 (3)
C2—Pd1^i	2.170 (2)	C32—H32	0.9500
C5—Re1^i	2.087 (2)	C32—C33	1.387 (4)
C6—C7	1.403 (3)	C33—H33	0.9500
C6—C11	1.389 (3)	C33—C34	1.383 (4)
C7—H7	0.9500	C34—H34	0.9500
C7—C8	1.385 (3)	C34—C35	1.390 (3)
C8—H8	0.9500	C35—H35	0.9500
C8—C9	1.385 (3)	C36—C37	1.398 (3)
C9—H9	0.9500	C36—C41	1.386 (3)
C9—C10	1.376 (3)	C37—H37	0.9500
C10—H10	0.9500	C37—C38	1.386 (4)
C10—C11	1.398 (3)	C38—H38	0.9500
C11—H11	0.9500	C38—C39	1.379 (5)
C12—C13	1.394 (3)	C39—H39	0.9500
C12—C17	1.400 (3)	C39—C40	1.374 (5)
C13—H13	0.9500	C40—H40	0.9500
C13—C14	1.397 (3)	C40—C41	1.386 (3)
C14—H14	0.9500	C41—H41	0.9500
C14—C15	1.381 (3)
Pd1—Re1—Pd1^i	99.105 (5)	C6—C7—H7	119.7
Pd1—Re1—Pd2^i	65.413 (5)	C8—C7—C6	120.6 (2)
Pd1^i—Re1—Pd2^i	64.596 (5)	C8—C7—H7	119.7
Pd1—Re1—Pd2	65.131 (5)	C7—C8—H8	120.2
Pd2—Re1—Pd1^i	65.445 (5)	C7—C8—C9	119.6 (2)
Pd2—Re1—Pd2^i	99.238 (5)	C9—C8—H8	120.2
C1—Re1—Pd1	131.04 (7)	C8—C9—H9	119.9
C1—Re1—Pd1^i	129.69 (7)	C10—C9—C8	120.3 (2)
C1—Re1—Pd2	133.48 (7)	C10—C9—H9	119.9
C1—Re1—Pd2^i	127.28 (7)	C9—C10—H10	119.7
C1—Re1—C2	83.99 (9)	C9—C10—C11	120.7 (2)
C1—Re1—C3	85.84 (9)	C11—C10—H10	119.7
C1—Re1—C4	83.85 (9)	C6—C11—C10	119.5 (2)
C1—Re1—C5^i	81.63 (9)	C6—C11—H11	120.3
C2—Re1—Pd1	141.37 (6)	C10—C11—H11	120.3
C2—Re1—Pd1^i	50.76 (6)	C13—C12—P1	119.88 (16)
C2—Re1—Pd2	78.91 (6)	C13—C12—C17	118.49 (19)
C2—Re1—Pd2^i	109.51 (6)	C17—C12—P1	121.62 (16)
C2—Re1—C3	87.43 (8)	C12—C13—H13	119.8
C2—Re1—C4	166.84 (8)	C12—C13—C14	120.4 (2)
C2—Re1—C5^i	91.78 (8)	C14—C13—H13	119.8
C3—Re1—Pd1^i	109.34 (6)	C13—C14—H14	119.8
C3—Re1—Pd1	80.75 (6)	C15—C14—C13	120.4 (2)
C3—Re1—Pd2	50.73 (6)	C15—C14—H14	119.8
C3—Re1—Pd2^i	143.08 (6)	C14—C15—H15	120.2
C3—Re1—C4	86.69 (8)	C14—C15—C16	119.6 (2)
C3—Re1—C5^i	167.46 (8)	C16—C15—H15	120.2
C4—Re1—Pd1	48.71 (5)	C15—C16—H16	119.9
C4—Re1—Pd1^i	142.40 (5)	C17—C16—C15	120.2 (2)
C4—Re1—Pd2^i	82.00 (5)	C17—C16—H16	119.9
C4—Re1—Pd2	106.14 (5)	C12—C17—H17	119.5
C5^i—Re1—Pd1	107.18 (6)	C16—C17—C12	120.9 (2)
C5^i—Re1—Pd1^i	79.46 (5)	C16—C17—H17	119.5
C5^i—Re1—Pd2	141.24 (5)	C19—C18—P1	123.40 (16)
C5^i—Re1—Pd2^i	48.43 (5)	C23—C18—P1	117.73 (16)
C5^i—Re1—C4	91.42 (8)	C23—C18—C19	118.9 (2)
Re1—Pd1—Re1^i	80.894 (5)	C18—C19—H19	119.8
Re1^i—Pd1—Pd2	57.781 (5)	C20—C19—C18	120.3 (2)
Re1^i—Pd1—Pd2^i	57.011 (4)	C20—C19—H19	119.8
Re1—Pd1—Pd2	57.477 (4)	C19—C20—H20	119.8
Re1—Pd1—Pd2^i	57.681 (5)	C21—C20—C19	120.3 (2)
Pd2—Pd1—Pd2^i	90.135 (6)	C21—C20—H20	119.8
P1—Pd1—Re1^i	133.608 (14)	C20—C21—H21	120.0
P1—Pd1—Re1	143.861 (14)	C20—C21—C22	119.9 (2)
P1—Pd1—Pd2^i	143.699 (14)	C22—C21—H21	120.0
P1—Pd1—Pd2	125.624 (14)	C21—C22—H22	120.0
C2^i—Pd1—Re1^i	47.26 (6)	C23—C22—C21	119.9 (2)
C2^i—Pd1—Re1	122.58 (6)	C23—C22—H22	120.0
C2^i—Pd1—Pd2^i	72.07 (5)	C18—C23—C22	120.6 (2)
C2^i—Pd1—Pd2	100.12 (6)	C18—C23—H23	119.7
C2^i—Pd1—P1	93.27 (6)	C22—C23—H23	119.7
C4—Pd1—Re1	48.82 (6)	C25—C24—P2	123.95 (18)
C4—Pd1—Re1^i	125.79 (6)	C29—C24—P2	117.27 (17)
C4—Pd1—Pd2	99.39 (6)	C29—C24—C25	118.8 (2)
C4—Pd1—Pd2^i	76.94 (5)	C24—C25—H25	119.8
C4—Pd1—P1	100.27 (6)	C26—C25—C24	120.3 (2)
C4—Pd1—C2^i	143.15 (8)	C26—C25—H25	119.8
Re1—Pd2—Re1^i	80.762 (5)	C25—C26—H26	119.8
Re1—Pd2—Pd1^i	57.545 (5)	C27—C26—C25	120.5 (2)
Re1^i—Pd2—Pd1	57.623 (5)	C27—C26—H26	119.8
Re1—Pd2—Pd1	57.392 (5)	C26—C27—H27	120.2
Re1^i—Pd2—Pd1^i	56.904 (4)	C26—C27—C28	119.7 (2)
Pd1—Pd2—Pd1^i	89.865 (6)	C28—C27—H27	120.2
P2—Pd2—Re1^i	139.454 (14)	C27—C28—H28	120.0
P2—Pd2—Re1	138.742 (14)	C27—C28—C29	119.9 (3)
P2—Pd2—Pd1^i	128.138 (15)	C29—C28—H28	120.0
P2—Pd2—Pd1	141.995 (15)	C24—C29—H29	119.6
C3—Pd2—Re1	47.70 (5)	C28—C29—C24	120.8 (2)
C3—Pd2—Re1^i	123.96 (5)	C28—C29—H29	119.6
C3—Pd2—Pd1^i	99.53 (5)	C31—C30—P2	122.07 (17)
C3—Pd2—Pd1	74.39 (5)	C35—C30—P2	119.19 (16)
C3—Pd2—P2	96.08 (6)	C35—C30—C31	118.7 (2)
C5—Pd2—Re1	124.34 (6)	C30—C31—H31	119.9
C5—Pd2—Re1^i	48.21 (6)	C32—C31—C30	120.3 (2)
C5—Pd2—Pd1^i	99.26 (6)	C32—C31—H31	119.9
C5—Pd2—Pd1	74.81 (6)	C31—C32—H32	119.8
C5—Pd2—P2	96.36 (6)	C31—C32—C33	120.5 (2)
C5—Pd2—C3	143.64 (8)	C33—C32—H32	119.8
C6—P1—Pd1	112.32 (7)	C32—C33—H33	120.0
C6—P1—C12	100.69 (9)	C34—C33—C32	119.9 (2)
C12—P1—Pd1	117.97 (7)	C34—C33—H33	120.0
C18—P1—Pd1	112.89 (7)	C33—C34—H34	120.1
C18—P1—C6	105.65 (10)	C33—C34—C35	119.8 (2)
C18—P1—C12	105.98 (9)	C35—C34—H34	120.1
C24—P2—Pd2	111.89 (7)	C30—C35—H35	119.6
C30—P2—Pd2	116.83 (7)	C34—C35—C30	120.9 (2)
C30—P2—C24	106.51 (10)	C34—C35—H35	119.6
C30—P2—C36	101.65 (10)	C37—C36—P2	117.43 (17)
C36—P2—Pd2	114.10 (7)	C41—C36—P2	123.41 (18)
C36—P2—C24	104.65 (10)	C41—C36—C37	119.1 (2)
O1—C1—Re1	178.1 (2)	C36—C37—H37	119.9
Re1—C2—Pd1^i	81.98 (7)	C38—C37—C36	120.1 (2)
O2—C2—Re1	152.98 (18)	C38—C37—H37	119.9
O2—C2—Pd1^i	124.90 (17)	C37—C38—H38	119.8
Re1—C3—Pd2	81.57 (7)	C39—C38—C37	120.4 (3)
O3—C3—Re1	152.27 (17)	C39—C38—H38	119.8
O3—C3—Pd2	126.08 (16)	C38—C39—H39	120.2
Pd1—C4—Re1	82.47 (7)	C40—C39—C38	119.6 (2)
O4—C4—Re1	149.43 (17)	C40—C39—H39	120.2
O4—C4—Pd1	128.10 (16)	C39—C40—H40	119.6
Re1^i—C5—Pd2	83.36 (7)	C39—C40—C41	120.8 (3)
O5—C5—Re1^i	149.52 (17)	C41—C40—H40	119.6
O5—C5—Pd2	127.10 (16)	C36—C41—C40	120.0 (3)
C7—C6—P1	115.78 (16)	C36—C41—H41	120.0
C11—C6—P1	124.87 (17)	C40—C41—H41	120.0
C11—C6—C7	119.32 (19)
Pd1—P1—C6—C7	−58.98 (17)	C15—C16—C17—C12	0.0 (4)
Pd1—P1—C6—C11	119.34 (17)	C17—C12—C13—C14	1.2 (3)
Pd1—P1—C12—C13	−21.58 (19)	C18—P1—C6—C7	177.54 (16)
Pd1—P1—C12—C17	157.12 (15)	C18—P1—C6—C11	−4.1 (2)
Pd1—P1—C18—C19	171.11 (16)	C18—P1—C12—C13	106.03 (18)
Pd1—P1—C18—C23	−9.1 (2)	C18—P1—C12—C17	−75.28 (19)
Pd2—P2—C24—C25	−139.46 (18)	C18—C19—C20—C21	0.8 (4)
Pd2—P2—C24—C29	38.6 (2)	C19—C18—C23—C22	0.9 (4)
Pd2—P2—C30—C31	−162.18 (17)	C19—C20—C21—C22	−0.6 (4)
Pd2—P2—C30—C35	14.8 (2)	C20—C21—C22—C23	0.6 (4)
Pd2—P2—C36—C37	66.91 (19)	C21—C22—C23—C18	−0.8 (4)
Pd2—P2—C36—C41	−109.26 (18)	C23—C18—C19—C20	−0.9 (3)
P1—C6—C7—C8	177.66 (18)	C24—P2—C30—C31	72.0 (2)
P1—C6—C11—C10	−178.91 (17)	C24—P2—C30—C35	−111.09 (18)
P1—C12—C13—C14	179.96 (17)	C24—P2—C36—C37	−170.48 (18)
P1—C12—C17—C16	−179.77 (18)	C24—P2—C36—C41	13.4 (2)
P1—C18—C19—C20	178.85 (17)	C24—C25—C26—C27	0.3 (4)
P1—C18—C23—C22	−178.9 (2)	C25—C24—C29—C28	−1.0 (4)
P2—C24—C25—C26	178.2 (2)	C25—C26—C27—C28	0.1 (5)
P2—C24—C29—C28	−179.2 (2)	C26—C27—C28—C29	−0.9 (5)
P2—C30—C31—C32	177.2 (2)	C27—C28—C29—C24	1.4 (5)
P2—C30—C35—C34	−176.80 (17)	C29—C24—C25—C26	0.1 (4)
P2—C36—C37—C38	−177.0 (2)	C30—P2—C24—C25	−10.7 (2)
P2—C36—C41—C40	175.83 (19)	C30—P2—C24—C29	167.39 (19)
C6—P1—C12—C13	−144.12 (17)	C30—P2—C36—C37	−59.76 (19)
C6—P1—C12—C17	34.58 (19)	C30—P2—C36—C41	124.07 (19)
C6—P1—C18—C19	−65.8 (2)	C30—C31—C32—C33	−0.3 (4)
C6—P1—C18—C23	114.00 (18)	C31—C30—C35—C34	0.2 (3)
C6—C7—C8—C9	1.1 (4)	C31—C32—C33—C34	−0.1 (4)
C7—C6—C11—C10	−0.6 (3)	C32—C33—C34—C35	0.5 (4)
C7—C8—C9—C10	0.0 (4)	C33—C34—C35—C30	−0.6 (4)
C8—C9—C10—C11	−1.4 (4)	C35—C30—C31—C32	0.2 (4)
C9—C10—C11—C6	1.7 (3)	C36—P2—C24—C25	96.5 (2)
C11—C6—C7—C8	−0.8 (3)	C36—P2—C24—C29	−85.4 (2)
C12—P1—C6—C7	67.42 (18)	C36—P2—C30—C31	−37.3 (2)
C12—P1—C6—C11	−114.25 (19)	C36—P2—C30—C35	139.62 (18)
C12—P1—C18—C19	40.5 (2)	C36—C37—C38—C39	1.1 (4)
C12—P1—C18—C23	−139.70 (18)	C37—C36—C41—C40	−0.3 (3)
C12—C13—C14—C15	−0.3 (3)	C37—C38—C39—C40	−0.6 (4)
C13—C12—C17—C16	−1.1 (3)	C38—C39—C40—C41	−0.4 (4)
C13—C14—C15—C16	−0.8 (4)	C39—C40—C41—C36	0.8 (4)
C14—C15—C16—C17	1.0 (4)	C41—C36—C37—C38	−0.7 (4)

Symmetry code: (i) −x, −y+1, −z+1.

Hydrogen-bond geometry (Å, º)

Cg1 and Cg3 are the centroids of the C6–C11 and C18–C23 rings, respectively.

D—H···A	D—H	H···A	D···A	D—H···A
C9—H9···O5^ii	0.95	2.49	3.188 (3)	130
C39—H39···O2^iii	0.95	2.60	3.491 (4)	157
C20—H20···Cg1^iv	0.95	2.84	3.635 (3)	142
C34—H34···Cg3^v	0.95	2.90	3.683 (3)	140

Symmetry codes: (ii) −x+1, −y+1, −z+1; (iii) −x, −y+1, −z+2; (iv) −x+1, −y+2, −z+1; (v) x, y−1, z.