A new chalcocyanide cubane rhenium salt: tetrakis­(tetra­phenyl­phospho­nium) dodeca­cyano-hexahedro-tetratelluriumtetrarhenate(IV) trihydrate

Efremova, O.A.; Mironov, Y.V.; Kuratieva, N.V.; Fedorov, V.E.

doi:10.1107/S1600536804028454

A new chalcocyanide cubane rhenium salt: tetrakis(tetraphenylphosphonium) dodecacyano-hexahedro-tetratelluriumtetrarhenate(IV) trihydrate

O. A. Efremova, Y. V. Mironov, N. V. Kuratieva and V. E. Fedorov

The new title cubane cluster salt, (C₂₄H₂₀P)₄[Re₄Te₄-(CN)₁₂]·3H₂O, was obtained by the reaction of Ph₄PCl and K₄Re₄Te₄(CN)₁₂ in a water/acetonitrile solution. It is isostructural with the previously described phases (Ph₄P)₄-[Re₄Q₄(CN)₁₂]·3H₂O (Q = S, Se) and contains Ph₄P⁺ cations and [Re₄Te₄(CN)₁₂]^4- anions. The [Re₄Te₄(CN)₁₂]^4- anion contains a tetrahedral cluster of Re atoms and a triply bridging Te atom attached to each face of the tetrahedron.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804028454/hb6116sup1.cif Contains datablocks III, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536804028454/hb6116IIIsup2.hkl Contains datablock III

CCDC reference: 258661

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.018 Å
H-atom completeness 94%
R factor = 0.052
wR factor = 0.103
Data-to-parameter ratio = 21.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        O1W
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        O2W
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        O3W

Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O1W    ..  O2W     ..       2.75 Ang.
PLAT430_ALERT_2_B Short Inter D...A Contact  O2W    ..  N41     ..       2.85 Ang.
PLAT430_ALERT_2_B Short Inter D...A Contact  O2W    ..  N22     ..       2.85 Ang.
PLAT430_ALERT_2_B Short Inter D...A Contact  O3W    ..  N33     ..       2.85 Ang.

Alert level C
GOODF01_ALERT_2_C  The least squares goodness of fit parameter lies
            outside the range 0.80 <> 2.00
            Goodness of fit given =      0.795
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         43 Perc.
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT213_ALERT_2_C Atom C235    has ADP max/min Ratio .............       3.40 prolat
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.72 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.55 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re1    -   Te3     ..       5.14 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re1    -   Te4     ..       7.68 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re2    -   Te1     ..       6.29 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re2    -   Te3     ..       6.54 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re2    -   Te4     ..       5.35 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re3    -   Te2     ..       5.05 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re3    -   C31     ..       5.40 su
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for       C213
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for       C233
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for       C315
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for       C322
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for       C343
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for       C415
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for       C423
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for       C433
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for       C211
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for       C441
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C441   -C446          1.36 Ang.
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         17
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      31.00 A   3  
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1
              C24 H20 P
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          7
              O
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          8
              O

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C108 H86 N12 O3 P4 Re4 Te4
            Atom count from the _atom_site data:  C108 H80 N12 O3 P4 Re4 Te4
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    4
           From the CIF: _chemical_formula_sum  C108 H86 N12 O3 P4 Re4 Te4
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C        432.00    432.00    0.00
           H        344.00    320.00   24.00
           N         48.00     48.00    0.00
           O         12.00     12.00    0.00
           P         16.00     16.00    0.00
           Re        16.00     16.00    0.00
           Te        16.00     16.00    0.00

   3 ALERT level A = In general: serious problem
   4 ALERT level B = Potentially serious problem
  31 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  31 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
   3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2004); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

tetrakis(tetraphenylphosphonium) dodecacyano-hexahedro-tetratelluriumtetrarhenium(IV) trihydrate top

Crystal data top

(C₂₄H₂₀P)₄[Re₄Te₄(CN)₁₂]·3H₂O	F(000) = 5640
M_r = 2978.97	D_x = 1.922 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 3070 reflections
a = 15.4635 (8) Å	θ = 2.2–19.5°
b = 24.1703 (11) Å	µ = 5.92 mm⁻¹
c = 28.5358 (11) Å	T = 293 K
β = 105.181 (1)°	Needle, dark red
V = 10293.3 (8) Å³	0.10 × 0.04 × 0.02 mm
Z = 4

Data collection top

Bruker–Nonius X8Apex CCD diffractometer	25536 independent reflections
Radiation source: fine-focus sealed tube	11085 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.062
Detector resolution: 25 pixels mm^-1	θ_max = 28.3°, θ_min = 1.8°
φ scans	h = −20→19
Absorption correction: multi-scan (SADABS; Bruker, 2004)	k = −28→32
T_min = 0.753, T_max = 0.888	l = −22→38
76502 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.103	H-atom parameters constrained
S = 0.80	w = 1/[σ²(F_o²) + (0.0331P)²] where P = (F_o² + 2F_c²)/3
25536 reflections	(Δ/σ)_max = 0.002
1216 parameters	Δρ_max = 1.57 e Å⁻³
0 restraints	Δρ_min = −1.24 e Å⁻³

Special details top

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
Re1	0.19520 (3)	0.776920 (16)	0.861823 (13)	0.03335 (10)
Re2	0.14233 (3)	0.705148 (15)	0.930082 (13)	0.03345 (10)
Re3	0.06121 (3)	0.812668 (16)	0.908329 (13)	0.03357 (10)
Re4	0.24470 (3)	0.803879 (16)	0.964052 (13)	0.03376 (10)
Te1	0.10868 (5)	0.77208 (3)	0.99639 (2)	0.04029 (17)
Te2	0.18937 (4)	0.87795 (3)	0.89531 (2)	0.03887 (17)
Te3	0.31012 (4)	0.71865 (3)	0.92771 (2)	0.03988 (17)
Te4	0.03574 (4)	0.73114 (3)	0.84508 (2)	0.03755 (16)
P1	0.08326 (19)	0.80044 (11)	1.16196 (9)	0.0452 (7)
P2	−0.03152 (19)	0.44937 (11)	0.76767 (9)	0.0450 (7)
P3	0.64409 (19)	0.59824 (11)	0.92426 (9)	0.0434 (7)
P4	0.3011 (2)	1.07705 (12)	0.89065 (9)	0.0484 (7)
O1W	−0.0392 (7)	0.8996 (4)	0.6875 (3)	0.120 (4)
O2W	−0.1005 (8)	0.8613 (4)	0.5940 (4)	0.152 (5)
O3W	−0.1458 (6)	0.9569 (4)	0.7421 (3)	0.103 (3)
N11	0.1053 (6)	0.8344 (4)	0.7570 (3)	0.063 (3)
N12	0.3730 (6)	0.8233 (4)	0.8353 (3)	0.061 (3)
N13	0.2328 (6)	0.6786 (4)	0.7926 (3)	0.061 (3)
N21	0.1562 (6)	0.5896 (3)	0.8737 (3)	0.052 (2)
N22	0.2310 (7)	0.6278 (4)	1.0238 (3)	0.064 (3)
N23	−0.0302 (6)	0.6353 (4)	0.9427 (3)	0.056 (3)
N31	−0.1349 (6)	0.7768 (4)	0.9189 (3)	0.058 (3)
N32	0.0118 (6)	0.9231 (4)	0.9614 (3)	0.061 (3)
N33	−0.0628 (6)	0.8836 (4)	0.8190 (3)	0.059 (3)
N41	0.3583 (7)	0.7507 (4)	1.0661 (3)	0.078 (3)
N42	0.4392 (6)	0.8594 (3)	0.9748 (3)	0.057 (3)
N43	0.2513 (7)	0.9048 (4)	1.0400 (3)	0.076 (3)
C11	0.1354 (7)	0.8141 (4)	0.7937 (4)	0.044 (3)
C12	0.3130 (7)	0.8056 (4)	0.8460 (4)	0.047 (3)
C13	0.2175 (7)	0.7132 (4)	0.8167 (4)	0.045 (3)
C21	0.1525 (6)	0.6324 (4)	0.8931 (3)	0.036 (2)
C22	0.2020 (7)	0.6558 (4)	0.9915 (4)	0.050 (3)
C23	0.0284 (8)	0.6623 (4)	0.9387 (4)	0.053 (3)
C31	−0.0667 (8)	0.7891 (4)	0.9144 (3)	0.050 (3)
C32	0.0311 (7)	0.8830 (4)	0.9438 (3)	0.049 (3)
C33	−0.0169 (7)	0.8580 (4)	0.8499 (3)	0.040 (3)
C41	0.3203 (7)	0.7688 (4)	1.0298 (4)	0.051 (3)
C42	0.3711 (7)	0.8400 (4)	0.9685 (3)	0.038 (2)
C43	0.2433 (7)	0.8708 (4)	1.0116 (4)	0.048 (3)
C111	0.0222 (7)	0.8059 (5)	1.2076 (4)	0.055 (3)
C112	0.0224 (7)	0.8549 (5)	1.2320 (4)	0.066 (3)
H112	0.0505	0.8861	1.2238	0.079*
C113	−0.0198 (9)	0.8568 (6)	1.2686 (4)	0.082 (4)
H113	−0.0187	0.8895	1.2860	0.098*
C114	−0.0637 (8)	0.8117 (7)	1.2803 (4)	0.090 (5)
H114	−0.0925	0.8141	1.3051	0.107*
C115	−0.0649 (9)	0.7631 (6)	1.2556 (5)	0.083 (4)
H115	−0.0953	0.7325	1.2630	0.100*
C116	−0.0208 (8)	0.7600 (5)	1.2197 (4)	0.068 (4)
H116	−0.0199	0.7267	1.2034	0.082*
C121	0.1921 (6)	0.7720 (4)	1.1882 (3)	0.045 (3)
C122	0.2123 (8)	0.7449 (5)	1.2325 (4)	0.065 (3)
H122	0.1708	0.7437	1.2509	0.078*
C123	0.2919 (8)	0.7206 (5)	1.2483 (4)	0.065 (3)
H123	0.3038	0.7018	1.2778	0.079*
C124	0.3577 (9)	0.7216 (5)	1.2236 (5)	0.072 (4)
H124	0.4128	0.7044	1.2359	0.087*
C125	0.3378 (8)	0.7488 (6)	1.1804 (4)	0.079 (4)
H125	0.3803	0.7499	1.1627	0.095*
C126	0.2559 (9)	0.7752 (5)	1.1619 (4)	0.069 (4)
H126	0.2442	0.7944	1.1327	0.083*
C131	0.0196 (9)	0.7551 (4)	1.1165 (4)	0.054 (3)
C132	0.0620 (8)	0.7097 (4)	1.1022 (3)	0.052 (3)
H132	0.1219	0.7016	1.1166	0.062*
C133	0.0086 (10)	0.6759 (5)	1.0641 (4)	0.069 (4)
H133	0.0342	0.6453	1.0531	0.083*
C134	−0.0772 (9)	0.6878 (5)	1.0443 (4)	0.077 (4)
H134	−0.1104	0.6652	1.0197	0.093*
C135	−0.1178 (9)	0.7320 (6)	1.0589 (5)	0.086 (4)
H135	−0.1776	0.7402	1.0442	0.104*
C136	−0.0677 (10)	0.7643 (5)	1.0961 (5)	0.086 (4)
H136	−0.0955	0.7936	1.1074	0.103*
C141	0.0937 (7)	0.8675 (4)	1.1372 (3)	0.046 (3)
C142	0.0405 (7)	0.8864 (5)	1.0940 (4)	0.058 (3)
H142	0.0003	0.8622	1.0741	0.070*
C143	0.0448 (9)	0.9404 (5)	1.0794 (4)	0.073 (4)
H143	0.0078	0.9526	1.0500	0.087*
C144	0.1036 (9)	0.9758 (5)	1.1084 (5)	0.073 (4)
H144	0.1065	1.0125	1.0992	0.088*
C145	0.1588 (9)	0.9570 (5)	1.1514 (5)	0.081 (4)
H145	0.1990	0.9813	1.1712	0.097*
C146	0.1554 (8)	0.9027 (5)	1.1656 (4)	0.065 (3)
H146	0.1945	0.8900	1.1941	0.078*
C211	0.0790 (6)	0.4239 (4)	0.7929 (4)	0.044 (3)
C212	0.1021 (9)	0.3996 (5)	0.8381 (4)	0.071 (4)
H212	0.0623	0.3989	0.8575	0.085*
C213	0.1870 (11)	0.3762 (6)	0.8538 (6)	0.104 (5)
H213	0.2024	0.3578	0.8834	0.125*
C214	0.2475 (9)	0.3794 (7)	0.8277 (7)	0.106 (6)
H214	0.3052	0.3659	0.8403	0.127*
C215	0.2241 (9)	0.4023 (6)	0.7828 (6)	0.083 (4)
H215	0.2642	0.4017	0.7635	0.099*
C216	0.1423 (9)	0.4262 (5)	0.7657 (4)	0.073 (4)
H216	0.1283	0.4442	0.7358	0.088*
C221	−0.0910 (7)	0.4030 (4)	0.7225 (3)	0.039 (2)
C222	−0.0469 (7)	0.3641 (4)	0.7026 (3)	0.046 (3)
H222	0.0148	0.3606	0.7150	0.056*
C223	−0.0894 (7)	0.3298 (5)	0.6651 (4)	0.060 (3)
H223	−0.0573	0.3042	0.6520	0.072*
C224	−0.1804 (8)	0.3345 (5)	0.6476 (4)	0.063 (3)
H224	−0.2110	0.3107	0.6233	0.076*
C225	−0.2272 (8)	0.3741 (5)	0.6655 (4)	0.062 (3)
H225	−0.2883	0.3787	0.6517	0.074*
C226	−0.1833 (7)	0.4070 (4)	0.7040 (4)	0.055 (3)
H226	−0.2156	0.4320	0.7176	0.065*
C231	−0.0272 (7)	0.5153 (4)	0.7385 (3)	0.048 (3)
C232	−0.0839 (8)	0.5282 (5)	0.6947 (4)	0.064 (3)
H232	−0.1237	0.5017	0.6779	0.077*
C233	−0.0831 (11)	0.5802 (6)	0.6750 (5)	0.098 (5)
H233	−0.1255	0.5902	0.6467	0.118*
C234	−0.0162 (12)	0.6178 (6)	0.6989 (6)	0.096 (5)
H234	−0.0107	0.6515	0.6842	0.115*
C235	0.0384 (11)	0.6063 (5)	0.7414 (6)	0.098 (6)
H235	0.0782	0.6330	0.7577	0.118*
C236	0.0368 (8)	0.5538 (5)	0.7622 (4)	0.072 (4)
H236	0.0778	0.5448	0.7913	0.087*
C241	−0.0856 (7)	0.4560 (4)	0.8154 (3)	0.045 (3)
C242	−0.0623 (7)	0.4988 (4)	0.8484 (3)	0.050 (3)
H242	−0.0229	0.5261	0.8438	0.061*
C243	−0.0977 (8)	0.5014 (5)	0.8885 (4)	0.062 (3)
H243	−0.0826	0.5305	0.9104	0.074*
C244	−0.1547 (8)	0.4608 (5)	0.8953 (4)	0.062 (3)
H244	−0.1774	0.4618	0.9224	0.074*
C245	−0.1784 (8)	0.4190 (5)	0.8624 (4)	0.063 (3)
H245	−0.2185	0.3920	0.8669	0.075*
C246	−0.1441 (7)	0.4162 (5)	0.8233 (4)	0.061 (3)
H246	−0.1603	0.3870	0.8015	0.073*
C311	0.6262 (7)	0.6622 (4)	0.9522 (4)	0.047 (3)
C312	0.5885 (7)	0.7078 (4)	0.9228 (4)	0.056 (3)
H312	0.5793	0.7065	0.8893	0.067*
C313	0.5654 (9)	0.7546 (5)	0.9451 (4)	0.077 (4)
H313	0.5420	0.7855	0.9267	0.092*
C314	0.5776 (9)	0.7547 (5)	0.9956 (5)	0.081 (4)
H314	0.5620	0.7855	1.0110	0.098*
C315	0.6122 (10)	0.7097 (5)	1.0213 (5)	0.097 (5)
H315	0.6206	0.7104	1.0548	0.116*
C316	0.6357 (9)	0.6630 (5)	1.0007 (4)	0.080 (4)
H316	0.6578	0.6322	1.0197	0.096*
C321	0.7219 (7)	0.5582 (4)	0.9686 (3)	0.040 (3)
C322	0.6957 (9)	0.5219 (5)	1.0006 (4)	0.071 (4)
H322	0.6351	0.5165	0.9981	0.085*
C323	0.7564 (9)	0.4950 (5)	1.0347 (4)	0.069 (4)
H323	0.7375	0.4698	1.0545	0.083*
C324	0.8473 (8)	0.5038 (4)	1.0411 (4)	0.058 (3)
H324	0.8891	0.4859	1.0659	0.070*
C325	0.8747 (7)	0.5392 (5)	1.0103 (3)	0.055 (3)
H325	0.9355	0.5448	1.0136	0.066*
C326	0.8124 (6)	0.5666 (4)	0.9746 (3)	0.039 (2)
H326	0.8314	0.5911	0.9542	0.047*
C331	0.6909 (7)	0.6113 (4)	0.8742 (3)	0.045 (3)
C332	0.7457 (7)	0.6559 (4)	0.8752 (4)	0.053 (3)
H332	0.7532	0.6812	0.9005	0.064*
C333	0.7901 (8)	0.6647 (5)	0.8397 (4)	0.076 (4)
H333	0.8239	0.6965	0.8395	0.091*
C334	0.7824 (9)	0.6239 (6)	0.8039 (4)	0.077 (4)
H334	0.8147	0.6275	0.7807	0.092*
C335	0.7268 (8)	0.5781 (5)	0.8025 (4)	0.066 (4)
H335	0.7204	0.5520	0.7778	0.079*
C336	0.6813 (8)	0.5715 (4)	0.8377 (4)	0.061 (3)
H336	0.6446	0.5409	0.8371	0.073*
C341	0.5395 (8)	0.5628 (4)	0.9042 (4)	0.050 (3)
C342	0.5373 (9)	0.5066 (5)	0.8986 (4)	0.073 (4)
H342	0.5903	0.4865	0.9042	0.088*
C343	0.4520 (10)	0.4788 (5)	0.8839 (5)	0.095 (5)
H343	0.4486	0.4405	0.8812	0.114*
C344	0.3754 (10)	0.5109 (6)	0.8739 (4)	0.082 (4)
H344	0.3199	0.4936	0.8635	0.099*
C345	0.3783 (9)	0.5660 (6)	0.8789 (4)	0.076 (4)
H345	0.3254	0.5863	0.8719	0.091*
C346	0.4605 (7)	0.5927 (5)	0.8944 (4)	0.053 (3)
H346	0.4624	0.6310	0.8981	0.064*
C411	0.2652 (7)	1.0838 (4)	0.9447 (3)	0.047 (3)
C412	0.2481 (7)	1.1345 (5)	0.9616 (4)	0.057 (3)
H412	0.2586	1.1663	0.9455	0.068*
C413	0.2156 (8)	1.1395 (5)	1.0021 (4)	0.067 (4)
H413	0.2078	1.1742	1.0144	0.080*
C414	0.1948 (8)	1.0923 (6)	1.0239 (4)	0.075 (4)
H414	0.1699	1.0954	1.0502	0.090*
C415	0.2103 (8)	1.0405 (6)	1.0075 (5)	0.087 (4)
H415	0.1968	1.0090	1.0230	0.104*
C416	0.2461 (7)	1.0353 (5)	0.9681 (4)	0.067 (3)
H416	0.2574	1.0005	0.9571	0.081*
C421	0.3957 (8)	1.0300 (4)	0.9027 (4)	0.053 (3)
C422	0.4705 (9)	1.0435 (5)	0.9394 (4)	0.070 (4)
H422	0.4710	1.0749	0.9584	0.084*
C423	0.5446 (9)	1.0094 (6)	0.9473 (5)	0.090 (4)
H423	0.5966	1.0191	0.9706	0.108*
C424	0.5426 (9)	0.9608 (5)	0.9209 (5)	0.075 (4)
H424	0.5929	0.9381	0.9263	0.090*
C425	0.4670 (8)	0.9472 (5)	0.8877 (4)	0.065 (3)
H425	0.4647	0.9140	0.8710	0.078*
C426	0.3923 (7)	0.9810 (5)	0.8775 (3)	0.055 (3)
H426	0.3406	0.9709	0.8541	0.066*
C431	0.2155 (8)	1.0484 (4)	0.8418 (4)	0.058 (3)
C432	0.2312 (9)	1.0460 (5)	0.7957 (4)	0.081 (4)
H432	0.2826	1.0613	0.7900	0.097*
C433	0.1676 (12)	1.0201 (7)	0.7589 (5)	0.117 (7)
H433	0.1784	1.0150	0.7286	0.140*
C434	0.0904 (13)	1.0023 (7)	0.7669 (7)	0.119 (8)
H434	0.0467	0.9878	0.7410	0.143*
C435	0.0734 (10)	1.0046 (6)	0.8112 (6)	0.101 (5)
H435	0.0203	0.9901	0.8155	0.122*
C436	0.1348 (9)	1.0285 (5)	0.8498 (5)	0.068 (3)
H436	0.1234	1.0313	0.8802	0.082*
C441	0.3304 (7)	1.1432 (4)	0.8711 (4)	0.047 (3)
C442	0.2698 (9)	1.1725 (5)	0.8373 (4)	0.086 (4)
H442	0.2127	1.1580	0.8248	0.104*
C443	0.2907 (11)	1.2232 (6)	0.8209 (5)	0.095 (5)
H443	0.2478	1.2422	0.7974	0.114*
C444	0.3711 (11)	1.2451 (5)	0.8382 (5)	0.079 (4)
H444	0.3855	1.2786	0.8261	0.095*
C445	0.4328 (8)	1.2184 (5)	0.8738 (4)	0.064 (3)
H445	0.4885	1.2344	0.8870	0.077*
C446	0.4127 (8)	1.1677 (5)	0.8900 (4)	0.068 (4)
H446	0.4553	1.1497	0.9143	0.082*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Re1	0.0292 (2)	0.0362 (2)	0.0359 (2)	−0.00305 (19)	0.01076 (18)	−0.00008 (17)
Re2	0.0301 (2)	0.0339 (2)	0.0362 (2)	−0.00266 (19)	0.00854 (18)	0.00180 (17)
Re3	0.0273 (2)	0.0367 (2)	0.0370 (2)	0.00163 (19)	0.00907 (18)	0.00139 (18)
Re4	0.0292 (2)	0.0355 (2)	0.0355 (2)	−0.00110 (19)	0.00651 (18)	−0.00079 (17)
Te1	0.0403 (4)	0.0457 (4)	0.0368 (4)	−0.0023 (3)	0.0135 (3)	0.0012 (3)
Te2	0.0374 (4)	0.0343 (4)	0.0449 (4)	−0.0018 (3)	0.0107 (3)	0.0027 (3)
Te3	0.0297 (4)	0.0389 (4)	0.0499 (4)	0.0024 (3)	0.0082 (3)	−0.0021 (3)
Te4	0.0321 (4)	0.0416 (4)	0.0378 (4)	−0.0042 (3)	0.0069 (3)	−0.0012 (3)
P1	0.0451 (18)	0.0461 (17)	0.0445 (15)	−0.0014 (14)	0.0118 (14)	−0.0009 (13)
P2	0.0417 (18)	0.0497 (18)	0.0449 (16)	0.0007 (14)	0.0138 (14)	−0.0046 (13)
P3	0.0429 (18)	0.0397 (16)	0.0484 (17)	0.0001 (14)	0.0137 (14)	0.0002 (13)
P4	0.0461 (19)	0.0546 (19)	0.0422 (16)	−0.0030 (15)	0.0077 (14)	−0.0111 (13)
O1W	0.152 (11)	0.104 (8)	0.090 (7)	−0.005 (7)	0.008 (7)	0.031 (6)
O2W	0.166 (12)	0.107 (8)	0.123 (8)	−0.017 (8)	−0.066 (8)	−0.020 (7)
O3W	0.089 (8)	0.096 (7)	0.105 (7)	0.003 (6)	−0.010 (6)	0.038 (6)
N11	0.060 (7)	0.082 (7)	0.050 (6)	0.001 (6)	0.020 (5)	0.011 (5)
N12	0.063 (7)	0.056 (6)	0.074 (6)	−0.016 (5)	0.039 (6)	−0.016 (5)
N13	0.052 (7)	0.070 (7)	0.070 (6)	−0.007 (5)	0.032 (5)	−0.022 (5)
N21	0.055 (7)	0.046 (6)	0.050 (5)	−0.001 (5)	0.003 (5)	−0.010 (4)
N22	0.084 (8)	0.040 (6)	0.062 (6)	0.006 (5)	0.010 (6)	0.022 (5)
N23	0.050 (7)	0.066 (7)	0.060 (6)	−0.020 (5)	0.027 (5)	−0.006 (5)
N31	0.040 (6)	0.074 (7)	0.061 (6)	−0.006 (5)	0.018 (5)	−0.004 (5)
N32	0.054 (7)	0.063 (7)	0.066 (6)	0.021 (5)	0.019 (5)	−0.014 (5)
N33	0.037 (6)	0.064 (7)	0.073 (7)	−0.001 (5)	0.009 (5)	0.005 (5)
N41	0.090 (9)	0.093 (8)	0.042 (6)	0.004 (7)	0.000 (6)	0.014 (6)
N42	0.049 (6)	0.035 (5)	0.086 (7)	−0.014 (5)	0.018 (6)	−0.011 (5)
N43	0.081 (8)	0.070 (8)	0.074 (7)	−0.020 (6)	0.014 (6)	−0.027 (6)
C11	0.046 (7)	0.039 (6)	0.050 (6)	−0.022 (5)	0.017 (6)	−0.002 (5)
C12	0.056 (8)	0.029 (6)	0.061 (7)	−0.009 (6)	0.023 (6)	−0.016 (5)
C13	0.033 (6)	0.047 (7)	0.054 (7)	−0.009 (5)	0.010 (5)	−0.005 (5)
C21	0.030 (6)	0.047 (7)	0.028 (5)	−0.004 (5)	0.003 (4)	0.013 (5)
C22	0.050 (8)	0.044 (7)	0.054 (7)	−0.009 (6)	0.013 (6)	0.004 (5)
C23	0.045 (8)	0.054 (8)	0.053 (7)	0.006 (6)	0.004 (6)	−0.003 (6)
C31	0.048 (7)	0.052 (7)	0.047 (6)	0.020 (6)	0.005 (6)	−0.003 (5)
C32	0.053 (8)	0.055 (7)	0.034 (6)	−0.002 (6)	0.007 (5)	−0.007 (5)
C33	0.044 (7)	0.030 (6)	0.047 (6)	0.009 (5)	0.011 (5)	0.000 (5)
C41	0.050 (8)	0.056 (7)	0.048 (7)	−0.010 (6)	0.018 (6)	0.000 (6)
C42	0.035 (6)	0.029 (6)	0.051 (6)	−0.012 (5)	0.013 (5)	−0.006 (5)
C43	0.031 (6)	0.046 (7)	0.063 (7)	−0.010 (5)	0.003 (6)	−0.016 (6)
C111	0.049 (8)	0.061 (8)	0.057 (7)	−0.001 (6)	0.019 (6)	0.007 (6)
C112	0.041 (8)	0.084 (10)	0.083 (9)	−0.008 (7)	0.032 (7)	−0.011 (7)
C113	0.079 (11)	0.092 (11)	0.079 (9)	−0.019 (9)	0.027 (8)	−0.035 (8)
C114	0.035 (8)	0.181 (17)	0.058 (8)	0.018 (10)	0.021 (7)	0.001 (10)
C115	0.064 (10)	0.107 (12)	0.092 (10)	0.010 (9)	0.044 (9)	0.031 (9)
C116	0.060 (9)	0.073 (9)	0.078 (9)	−0.001 (7)	0.029 (7)	0.006 (7)
C121	0.023 (6)	0.067 (8)	0.046 (6)	0.005 (5)	0.010 (5)	−0.010 (5)
C122	0.066 (9)	0.078 (9)	0.054 (7)	0.009 (7)	0.023 (7)	0.009 (6)
C123	0.047 (8)	0.076 (9)	0.070 (8)	0.011 (7)	0.009 (7)	0.018 (7)
C124	0.066 (10)	0.060 (9)	0.085 (10)	0.015 (7)	0.011 (8)	−0.018 (7)
C125	0.043 (8)	0.126 (13)	0.069 (9)	0.021 (8)	0.019 (7)	0.017 (8)
C126	0.080 (10)	0.067 (9)	0.067 (8)	0.004 (8)	0.031 (8)	0.002 (7)
C131	0.076 (9)	0.033 (7)	0.052 (7)	0.002 (6)	0.011 (7)	−0.001 (5)
C132	0.074 (9)	0.039 (7)	0.038 (6)	0.002 (6)	0.006 (6)	0.014 (5)
C133	0.097 (12)	0.060 (8)	0.053 (8)	−0.006 (8)	0.026 (8)	−0.013 (6)
C134	0.074 (11)	0.067 (10)	0.074 (9)	−0.026 (8)	−0.010 (8)	−0.008 (7)
C135	0.066 (10)	0.069 (10)	0.105 (11)	0.000 (8)	−0.012 (8)	−0.009 (8)
C136	0.080 (11)	0.070 (10)	0.093 (10)	0.001 (8)	−0.001 (9)	−0.034 (8)
C141	0.049 (7)	0.051 (7)	0.034 (6)	0.000 (6)	0.002 (5)	−0.003 (5)
C142	0.052 (8)	0.069 (9)	0.051 (7)	−0.002 (7)	0.007 (6)	−0.008 (6)
C143	0.099 (12)	0.063 (9)	0.057 (8)	0.027 (8)	0.022 (8)	0.004 (7)
C144	0.075 (10)	0.047 (8)	0.106 (11)	−0.004 (7)	0.036 (9)	0.005 (8)
C145	0.069 (10)	0.082 (11)	0.079 (10)	−0.014 (8)	−0.003 (8)	0.016 (8)
C146	0.066 (9)	0.074 (9)	0.049 (7)	−0.004 (7)	0.004 (6)	0.026 (7)
C211	0.026 (6)	0.033 (6)	0.076 (8)	0.001 (5)	0.019 (6)	−0.014 (5)
C212	0.090 (11)	0.058 (8)	0.060 (8)	0.020 (7)	0.014 (8)	0.023 (6)
C213	0.078 (12)	0.083 (11)	0.139 (14)	0.026 (10)	0.006 (11)	0.037 (10)
C214	0.028 (9)	0.125 (15)	0.152 (16)	0.020 (9)	0.002 (10)	−0.036 (13)
C215	0.039 (9)	0.102 (12)	0.107 (12)	0.007 (8)	0.018 (9)	−0.036 (10)
C216	0.056 (9)	0.092 (10)	0.069 (8)	−0.010 (8)	0.011 (8)	−0.027 (7)
C221	0.034 (6)	0.042 (6)	0.042 (6)	−0.003 (5)	0.010 (5)	−0.001 (5)
C222	0.030 (6)	0.059 (7)	0.051 (6)	0.007 (5)	0.012 (5)	−0.012 (5)
C223	0.032 (7)	0.072 (9)	0.073 (8)	0.002 (6)	0.007 (6)	−0.025 (7)
C224	0.047 (8)	0.088 (10)	0.053 (7)	−0.011 (7)	0.010 (6)	−0.021 (6)
C225	0.043 (8)	0.081 (9)	0.053 (7)	−0.013 (7)	−0.004 (6)	−0.005 (7)
C226	0.042 (7)	0.067 (8)	0.058 (7)	0.000 (6)	0.017 (6)	−0.005 (6)
C231	0.047 (7)	0.062 (8)	0.035 (6)	−0.004 (6)	0.006 (5)	−0.005 (5)
C232	0.070 (9)	0.056 (8)	0.073 (9)	−0.009 (7)	0.029 (8)	0.005 (7)
C233	0.124 (15)	0.100 (13)	0.074 (10)	0.027 (11)	0.032 (10)	0.035 (9)
C234	0.128 (16)	0.075 (11)	0.102 (13)	−0.017 (11)	0.063 (12)	0.016 (10)
C235	0.152 (17)	0.059 (10)	0.104 (12)	−0.074 (10)	0.070 (12)	−0.029 (9)
C236	0.075 (10)	0.085 (10)	0.054 (8)	−0.011 (8)	0.013 (7)	−0.011 (7)
C241	0.041 (7)	0.049 (7)	0.050 (6)	−0.002 (5)	0.022 (5)	−0.001 (5)
C242	0.046 (7)	0.060 (8)	0.047 (6)	−0.004 (6)	0.014 (6)	−0.010 (6)
C243	0.061 (9)	0.073 (9)	0.047 (7)	−0.009 (7)	0.007 (6)	−0.014 (6)
C244	0.059 (9)	0.070 (9)	0.066 (8)	0.000 (7)	0.033 (7)	−0.003 (7)
C245	0.053 (8)	0.065 (9)	0.069 (8)	−0.007 (7)	0.014 (7)	−0.005 (7)
C246	0.057 (8)	0.073 (9)	0.063 (8)	0.007 (7)	0.035 (7)	0.000 (6)
C311	0.047 (7)	0.038 (6)	0.055 (7)	0.003 (5)	0.011 (6)	0.000 (5)
C312	0.068 (9)	0.044 (7)	0.052 (7)	0.016 (6)	0.011 (6)	0.005 (6)
C313	0.101 (12)	0.062 (9)	0.072 (9)	−0.022 (8)	0.029 (8)	0.006 (7)
C314	0.090 (11)	0.055 (9)	0.093 (10)	0.009 (8)	0.013 (9)	−0.030 (8)
C315	0.134 (15)	0.067 (10)	0.073 (9)	0.033 (10)	−0.003 (9)	−0.013 (8)
C316	0.105 (12)	0.079 (10)	0.051 (8)	0.047 (8)	0.013 (8)	0.009 (7)
C321	0.052 (7)	0.028 (6)	0.042 (6)	0.004 (5)	0.015 (5)	0.002 (4)
C322	0.067 (9)	0.059 (8)	0.093 (9)	−0.012 (7)	0.033 (8)	0.027 (7)
C323	0.075 (10)	0.066 (9)	0.072 (9)	0.007 (8)	0.028 (8)	0.030 (7)
C324	0.068 (9)	0.046 (7)	0.061 (7)	0.020 (7)	0.018 (7)	0.013 (6)
C325	0.039 (7)	0.085 (9)	0.045 (6)	−0.002 (6)	0.019 (6)	0.001 (6)
C326	0.027 (6)	0.048 (7)	0.043 (6)	0.001 (5)	0.011 (5)	0.005 (5)
C331	0.049 (7)	0.048 (7)	0.040 (6)	−0.001 (6)	0.014 (5)	0.002 (5)
C332	0.066 (8)	0.043 (7)	0.053 (7)	−0.025 (6)	0.021 (6)	0.007 (5)
C333	0.068 (10)	0.092 (10)	0.063 (8)	−0.041 (8)	0.009 (7)	−0.004 (7)
C334	0.066 (10)	0.113 (12)	0.051 (8)	0.002 (9)	0.015 (7)	0.028 (8)
C335	0.070 (10)	0.086 (10)	0.044 (7)	0.007 (8)	0.020 (7)	−0.005 (6)
C336	0.065 (9)	0.053 (8)	0.064 (8)	−0.001 (6)	0.015 (7)	0.007 (6)
C341	0.060 (8)	0.025 (6)	0.062 (7)	0.004 (6)	0.014 (6)	−0.002 (5)
C342	0.071 (10)	0.055 (8)	0.106 (10)	0.003 (7)	0.046 (8)	0.010 (7)
C343	0.083 (12)	0.050 (9)	0.154 (14)	−0.026 (8)	0.035 (11)	−0.043 (9)
C344	0.082 (12)	0.095 (12)	0.076 (9)	−0.023 (10)	0.032 (9)	−0.016 (9)
C345	0.069 (10)	0.076 (10)	0.088 (10)	−0.006 (8)	0.029 (8)	−0.019 (8)
C346	0.044 (8)	0.050 (7)	0.068 (8)	0.000 (6)	0.018 (6)	−0.003 (6)
C411	0.046 (7)	0.047 (7)	0.048 (6)	−0.002 (6)	0.014 (6)	−0.014 (5)
C412	0.050 (8)	0.068 (8)	0.059 (7)	0.009 (6)	0.027 (6)	−0.001 (6)
C413	0.094 (11)	0.062 (8)	0.048 (7)	0.005 (7)	0.025 (7)	−0.017 (6)
C414	0.077 (10)	0.098 (11)	0.064 (8)	0.011 (9)	0.041 (8)	0.004 (8)
C415	0.065 (10)	0.118 (13)	0.093 (10)	−0.016 (9)	0.049 (9)	0.002 (9)
C416	0.050 (8)	0.058 (8)	0.100 (10)	−0.015 (6)	0.030 (7)	−0.023 (7)
C421	0.055 (8)	0.051 (7)	0.051 (7)	−0.017 (6)	0.012 (6)	−0.006 (6)
C422	0.079 (10)	0.046 (8)	0.075 (9)	0.007 (7)	0.001 (8)	0.000 (6)
C423	0.076 (11)	0.084 (11)	0.093 (11)	0.004 (9)	−0.005 (9)	0.018 (9)
C424	0.055 (9)	0.064 (9)	0.110 (11)	0.024 (8)	0.030 (9)	0.011 (8)
C425	0.051 (9)	0.072 (9)	0.071 (9)	−0.004 (7)	0.015 (7)	−0.012 (7)
C426	0.045 (8)	0.066 (8)	0.047 (7)	−0.005 (6)	0.003 (6)	−0.020 (6)
C431	0.047 (8)	0.048 (7)	0.079 (9)	−0.006 (6)	0.016 (7)	−0.016 (6)
C432	0.097 (12)	0.085 (10)	0.059 (8)	0.011 (8)	0.015 (8)	−0.023 (7)
C433	0.118 (16)	0.141 (16)	0.065 (10)	0.026 (13)	−0.024 (11)	−0.056 (10)
C434	0.124 (18)	0.087 (13)	0.101 (14)	0.021 (12)	−0.053 (14)	−0.032 (11)
C435	0.071 (11)	0.084 (12)	0.125 (13)	−0.020 (9)	−0.017 (12)	0.015 (11)
C436	0.062 (9)	0.061 (9)	0.083 (9)	−0.005 (7)	0.020 (8)	−0.006 (7)
C441	0.047 (7)	0.040 (7)	0.052 (7)	0.002 (6)	0.007 (6)	0.003 (5)
C442	0.083 (11)	0.074 (10)	0.077 (9)	−0.010 (8)	−0.023 (8)	0.011 (8)
C443	0.093 (13)	0.093 (13)	0.089 (11)	0.019 (10)	0.004 (10)	0.024 (9)
C444	0.116 (14)	0.076 (10)	0.063 (9)	0.007 (10)	0.055 (9)	0.022 (8)
C445	0.059 (9)	0.047 (8)	0.096 (10)	−0.023 (7)	0.038 (8)	−0.001 (7)
C446	0.059 (9)	0.064 (9)	0.089 (9)	−0.004 (7)	0.034 (8)	0.003 (7)

Geometric parameters (Å, º) top

Re1—Re2	2.8820 (5)	C223—C224	1.369 (14)
Re1—Re3	2.8707 (5)	C223—H223	0.9300
Re1—Re4	2.8898 (5)	C224—C225	1.377 (14)
Re2—Re3	2.8818 (6)	C224—H224	0.9300
Re2—Re4	2.8873 (6)	C225—C226	1.382 (13)
Re3—Re4	2.8743 (6)	C225—H225	0.9300
Re1—Te2	2.6324 (7)	C226—H226	0.9300
Re1—Te3	2.6317 (7)	C231—C232	1.362 (14)
Re1—Te4	2.6300 (8)	C231—C236	1.398 (14)
Re2—Te1	2.6426 (7)	C232—C233	1.377 (15)
Re2—Te3	2.6334 (8)	C232—H232	0.9300
Re2—Te4	2.6269 (7)	C233—C234	1.412 (19)
Re3—Te1	2.6171 (7)	C233—H233	0.9300
Re3—Te2	2.6345 (8)	C234—C235	1.312 (18)
Re3—Te4	2.6312 (7)	C234—H234	0.9300
Re4—Te1	2.6235 (7)	C235—C236	1.404 (16)
Re4—Te2	2.6280 (7)	C235—H235	0.9300
Re4—Te3	2.6251 (7)	C236—H236	0.9300
Re1—C11	2.122 (10)	C241—C246	1.381 (13)
Re1—C12	2.105 (11)	C241—C242	1.381 (12)
Re1—C13	2.093 (10)	C242—C243	1.393 (12)
Re2—C21	2.078 (10)	C242—H242	0.9300
Re2—C22	2.121 (11)	C243—C244	1.365 (14)
Re2—C23	2.113 (12)	C243—H243	0.9300
Re3—C31	2.109 (12)	C244—C245	1.363 (14)
Re3—C32	2.092 (10)	C244—H244	0.9300
Re3—C33	2.095 (10)	C245—C246	1.357 (13)
Re4—C41	2.110 (11)	C245—H245	0.9300
Re4—C42	2.114 (10)	C246—H246	0.9300
Re4—C43	2.116 (10)	C311—C316	1.354 (13)
N11—C11	1.139 (11)	C311—C312	1.415 (13)
N12—C12	1.133 (11)	C312—C313	1.388 (14)
N13—C13	1.147 (11)	C312—H312	0.9300
N21—C21	1.180 (11)	C313—C314	1.404 (14)
N22—C22	1.137 (11)	C313—H313	0.9300
N23—C23	1.147 (12)	C314—C315	1.342 (15)
N31—C31	1.134 (12)	C314—H314	0.9300
N32—C32	1.166 (11)	C315—C316	1.366 (14)
N33—C33	1.155 (11)	C315—H315	0.9300
N41—C41	1.137 (12)	C316—H316	0.9300
N42—C42	1.124 (11)	C321—C326	1.380 (12)
N43—C43	1.137 (11)	C321—C322	1.402 (12)
P1—C131	1.785 (11)	C322—C323	1.331 (14)
P1—C121	1.790 (10)	C322—H322	0.9300
P1—C141	1.792 (10)	C323—C324	1.385 (15)
P1—C111	1.802 (10)	C323—H323	0.9300
P2—C221	1.774 (10)	C324—C325	1.371 (13)
P2—C211	1.782 (10)	C324—H324	0.9300
P2—C241	1.782 (9)	C325—C326	1.376 (13)
P2—C231	1.806 (11)	C325—H325	0.9300
P3—C321	1.785 (10)	C326—H326	0.9300
P3—C341	1.786 (11)	C331—C332	1.368 (12)
P3—C331	1.791 (9)	C331—C336	1.397 (13)
P3—C311	1.794 (10)	C332—C333	1.381 (13)
P4—C411	1.778 (10)	C332—H332	0.9300
P4—C441	1.790 (10)	C333—C334	1.402 (15)
P4—C431	1.791 (11)	C333—H333	0.9300
P4—C421	1.814 (12)	C334—C335	1.397 (15)
C111—C112	1.373 (14)	C334—H334	0.9300
C111—C116	1.384 (14)	C335—C336	1.377 (13)
C112—C113	1.372 (14)	C335—H335	0.9300
C112—H112	0.9300	C336—H336	0.9300
C113—C114	1.372 (17)	C341—C342	1.367 (13)
C113—H113	0.9300	C341—C346	1.383 (13)
C114—C115	1.368 (17)	C342—C343	1.442 (16)
C114—H114	0.9300	C342—H342	0.9300
C115—C116	1.374 (14)	C343—C344	1.381 (17)
C115—H115	0.9300	C343—H343	0.9300
C116—H116	0.9300	C344—C345	1.338 (16)
C121—C122	1.385 (13)	C344—H344	0.9300
C121—C126	1.389 (13)	C345—C346	1.392 (15)
C122—C123	1.332 (14)	C345—H345	0.9300
C122—H122	0.9300	C346—H346	0.9300
C123—C124	1.382 (14)	C411—C412	1.369 (13)
C123—H123	0.9300	C411—C416	1.417 (14)
C124—C125	1.360 (14)	C412—C413	1.380 (12)
C124—H124	0.9300	C412—H412	0.9300
C125—C126	1.392 (15)	C413—C414	1.378 (15)
C125—H125	0.9300	C413—H413	0.9300
C126—H126	0.9300	C414—C415	1.381 (16)
C131—C136	1.340 (16)	C414—H414	0.9300
C131—C132	1.394 (13)	C415—C416	1.384 (14)
C132—C133	1.436 (14)	C415—H415	0.9300
C132—H132	0.9300	C416—H416	0.9300
C133—C134	1.330 (16)	C421—C426	1.379 (13)
C133—H133	0.9300	C421—C422	1.381 (14)
C134—C135	1.358 (16)	C422—C423	1.382 (16)
C134—H134	0.9300	C422—H422	0.9300
C135—C136	1.381 (15)	C423—C424	1.392 (16)
C135—H135	0.9300	C423—H423	0.9300
C136—H136	0.9300	C424—C425	1.338 (15)
C141—C142	1.368 (13)	C424—H424	0.9300
C141—C146	1.375 (14)	C425—C426	1.383 (14)
C142—C143	1.378 (14)	C425—H425	0.9300
C142—H142	0.9300	C426—H426	0.9300
C143—C144	1.360 (15)	C431—C432	1.398 (14)
C143—H143	0.9300	C431—C436	1.412 (14)
C144—C145	1.375 (15)	C432—C433	1.386 (17)
C144—H144	0.9300	C432—H432	0.9300
C145—C146	1.380 (14)	C433—C434	1.34 (2)
C145—H145	0.9300	C433—H433	0.9300
C146—H146	0.9300	C434—C435	1.356 (19)
C211—C212	1.376 (13)	C434—H434	0.9300
C211—C216	1.400 (14)	C435—C436	1.379 (16)
C212—C213	1.391 (17)	C435—H435	0.9300
C212—H212	0.9300	C436—H436	0.9300
C213—C214	1.343 (18)	C441—C442	1.355 (14)
C213—H213	0.9300	C441—C446	1.379 (14)
C214—C215	1.356 (18)	C442—C443	1.382 (16)
C214—H214	0.9300	C442—H442	0.9300
C215—C216	1.359 (16)	C443—C444	1.322 (17)
C215—H215	0.9300	C443—H443	0.9300
C216—H216	0.9300	C444—C445	1.360 (16)
C221—C222	1.370 (12)	C444—H444	0.9300
C221—C226	1.389 (13)	C445—C446	1.374 (13)
C222—C223	1.377 (12)	C445—H445	0.9300
C222—H222	0.9300	C446—H446	0.9300

Re1—Re2—Re4	60.118 (13)	C134—C135—C136	117.9 (13)
Re1—Re3—Re2	60.132 (13)	C134—C135—H135	121.0
Re1—Re3—Re4	60.399 (13)	C136—C135—H135	121.0
Re2—Re1—Re4	60.032 (13)	C131—C136—C135	122.6 (13)
Re2—Re4—Re1	59.850 (13)	C131—C136—H136	118.7
Re3—Re1—Re2	60.124 (13)	C135—C136—H136	118.7
Re3—Re1—Re4	59.862 (13)	C142—C141—C146	119.0 (10)
Re3—Re2—Re1	59.744 (13)	C142—C141—P1	124.3 (9)
Re3—Re2—Re4	59.765 (14)	C146—C141—P1	116.6 (8)
Re3—Re4—Re1	59.740 (13)	C141—C142—C143	121.7 (11)
Re3—Re4—Re2	60.022 (14)	C141—C142—H142	119.2
Re4—Re3—Re2	60.214 (14)	C143—C142—H142	119.2
Te1—Re3—Te2	109.13 (2)	C144—C143—C142	119.3 (12)
Te1—Re3—Te4	109.38 (2)	C144—C143—H143	120.4
Te1—Re4—Te2	109.13 (2)	C142—C143—H143	120.4
Te1—Re4—Te3	109.66 (2)	C143—C144—C145	119.7 (12)
Te3—Re1—Te2	108.54 (2)	C143—C144—H144	120.2
Te3—Re2—Te1	108.82 (2)	C145—C144—H144	120.2
Te3—Re4—Te2	108.88 (2)	C144—C145—C146	120.9 (12)
Te4—Re1—Te2	109.67 (2)	C144—C145—H145	119.5
Te4—Re1—Te3	109.28 (2)	C146—C145—H145	119.5
Te4—Re2—Te1	108.73 (2)	C141—C146—C145	119.4 (11)
Te4—Re2—Te3	109.32 (2)	C141—C146—H146	120.3
Te4—Re1—Re4	105.433 (19)	C145—C146—H146	120.3
Te4—Re3—Te2	109.56 (2)	C212—C211—C216	119.3 (11)
Te3—Re1—Re4	56.543 (17)	C212—C211—P2	120.8 (9)
Te2—Re1—Re4	56.604 (17)	C216—C211—P2	119.9 (9)
Te4—Re1—Re3	56.952 (17)	C211—C212—C213	117.8 (12)
Te3—Re1—Re3	105.358 (19)	C211—C212—H212	121.1
Te2—Re1—Re3	57.007 (17)	C213—C212—H212	121.1
Te4—Re1—Re2	56.704 (17)	C214—C213—C212	122.3 (14)
Te3—Re1—Re2	56.840 (18)	C214—C213—H213	118.9
Te2—Re1—Re2	105.680 (19)	C212—C213—H213	118.9
Te4—Re2—Re3	56.837 (17)	C213—C214—C215	119.7 (14)
Te3—Re2—Re3	105.00 (2)	C213—C214—H214	120.1
Te1—Re2—Re3	56.353 (17)	C215—C214—H214	120.1
Te4—Re2—Re1	56.804 (17)	C214—C215—C216	120.4 (14)
Te3—Re2—Re1	56.785 (17)	C214—C215—H215	119.8
Te1—Re2—Re1	105.03 (2)	C216—C215—H215	119.8
Te4—Re2—Re4	105.58 (2)	C215—C216—C211	120.3 (13)
Te3—Re2—Re4	56.559 (17)	C215—C216—H216	119.9
Te1—Re2—Re4	56.434 (18)	C211—C216—H216	119.9
Te1—Re3—Re1	106.03 (2)	C222—C221—C226	117.7 (9)
Te4—Re3—Re1	56.910 (17)	C222—C221—P2	121.0 (8)
Te2—Re3—Re1	56.936 (17)	C226—C221—P2	121.2 (8)
Te1—Re3—Re4	56.846 (18)	C221—C222—C223	123.2 (10)
Te4—Re3—Re4	105.84 (2)	C221—C222—H222	118.4
Te2—Re3—Re4	56.785 (18)	C223—C222—H222	118.4
Te1—Re3—Re2	57.203 (18)	C224—C223—C222	118.0 (10)
Te4—Re3—Re2	56.695 (17)	C224—C223—H223	121.0
Te2—Re3—Re2	105.63 (2)	C222—C223—H223	121.0
Te1—Re4—Re3	56.631 (18)	C223—C224—C225	120.8 (11)
Te3—Re4—Re3	105.43 (2)	C223—C224—H224	119.6
Te2—Re4—Re3	57.003 (18)	C225—C224—H224	119.6
Te1—Re4—Re2	57.069 (18)	C224—C225—C226	119.9 (11)
Te3—Re4—Re2	56.834 (18)	C224—C225—H225	120.0
Te2—Re4—Re2	105.65 (2)	C226—C225—H225	120.0
Te1—Re4—Re1	105.32 (2)	C225—C226—C221	120.2 (10)
Te3—Re4—Re1	56.762 (17)	C225—C226—H226	119.9
Te2—Re4—Re1	56.750 (17)	C221—C226—H226	119.9
Re3—Te1—Re4	66.524 (19)	C232—C231—C236	119.6 (11)
Re3—Te1—Re2	66.444 (18)	C232—C231—P2	122.2 (9)
Re4—Te1—Re2	66.497 (18)	C236—C231—P2	118.1 (9)
Re4—Te2—Re1	66.646 (19)	C231—C232—C233	120.8 (12)
Re4—Te2—Re3	66.212 (19)	C231—C232—H232	119.6
Re1—Te2—Re3	66.057 (19)	C233—C232—H232	119.6
Re4—Te3—Re1	66.695 (19)	C232—C233—C234	118.3 (14)
Re4—Te3—Re2	66.607 (19)	C232—C233—H233	120.8
Re1—Te3—Re2	66.374 (19)	C234—C233—H233	120.8
Re2—Te4—Re1	66.492 (19)	C235—C234—C233	121.4 (14)
Re2—Te4—Re3	66.468 (18)	C235—C234—H234	119.3
Re1—Te4—Re3	66.138 (19)	C233—C234—H234	119.3
C13—Re1—C12	79.6 (4)	C234—C235—C236	120.3 (13)
C13—Re1—C11	81.4 (4)	C234—C235—H235	119.9
C12—Re1—C11	81.8 (4)	C236—C235—H235	119.9
C13—Re1—Te4	82.9 (3)	C231—C236—C235	119.1 (12)
C12—Re1—Te4	157.2 (3)	C231—C236—H236	120.5
C11—Re1—Te4	81.3 (3)	C235—C236—H236	120.5
C13—Re1—Te3	81.7 (3)	C246—C241—C242	118.5 (9)
C12—Re1—Te3	82.5 (3)	C246—C241—P2	121.4 (8)
C11—Re1—Te3	158.8 (3)	C242—C241—P2	119.8 (8)
C13—Re1—Te2	158.9 (3)	C241—C242—C243	120.3 (10)
C12—Re1—Te2	83.5 (2)	C241—C242—H242	119.9
C11—Re1—Te2	83.8 (3)	C243—C242—H242	119.9
C13—Re1—Re3	139.6 (3)	C244—C243—C242	119.5 (10)
C12—Re1—Re3	140.3 (2)	C244—C243—H243	120.3
C11—Re1—Re3	95.8 (3)	C242—C243—H243	120.3
C13—Re1—Re2	95.4 (3)	C245—C244—C243	120.2 (10)
C12—Re1—Re2	139.3 (3)	C245—C244—H244	119.9
C11—Re1—Re2	137.9 (3)	C243—C244—H244	119.9
C13—Re1—Re4	138.1 (3)	C246—C245—C244	120.6 (11)
C12—Re1—Re4	97.3 (3)	C246—C245—H245	119.7
C11—Re1—Re4	140.0 (3)	C244—C245—H245	119.7
C21—Re2—C23	79.7 (4)	C245—C246—C241	120.9 (11)
C21—Re2—C22	82.4 (4)	C245—C246—H246	119.5
C23—Re2—C22	79.8 (4)	C241—C246—H246	119.5
C21—Re2—Te4	81.2 (2)	C316—C311—C312	120.8 (10)
C23—Re2—Te4	83.4 (3)	C316—C311—P3	118.6 (9)
C22—Re2—Te4	158.3 (3)	C312—C311—P3	119.7 (8)
C21—Re2—Te3	83.4 (3)	C313—C312—C311	118.6 (10)
C23—Re2—Te3	157.0 (3)	C313—C312—H312	120.7
C22—Re2—Te3	82.7 (3)	C311—C312—H312	120.7
C21—Re2—Te1	159.5 (2)	C312—C313—C314	119.2 (12)
C23—Re2—Te1	83.7 (3)	C312—C313—H313	120.4
C22—Re2—Te1	83.0 (3)	C314—C313—H313	120.4
C21—Re2—Re3	137.8 (2)	C315—C314—C313	119.3 (12)
C23—Re2—Re3	98.0 (3)	C315—C314—H314	120.4
C22—Re2—Re3	139.1 (3)	C313—C314—H314	120.4
C21—Re2—Re1	95.4 (2)	C314—C315—C316	123.1 (13)
C23—Re2—Re1	140.1 (3)	C314—C315—H315	118.4
C22—Re2—Re1	139.3 (3)	C316—C315—H315	118.4
C21—Re2—Re4	139.7 (2)	C311—C316—C315	118.8 (11)
C23—Re2—Re4	140.0 (3)	C311—C316—H316	120.6
C22—Re2—Re4	96.1 (3)	C315—C316—H316	120.6
C32—Re3—C33	78.7 (4)	C326—C321—C322	117.9 (10)
C32—Re3—C31	81.3 (4)	C326—C321—P3	118.8 (7)
C33—Re3—C31	81.3 (4)	C322—C321—P3	123.1 (9)
C32—Re3—Te1	83.2 (3)	C323—C322—C321	120.9 (12)
C33—Re3—Te1	156.8 (3)	C323—C322—H322	119.6
C31—Re3—Te1	81.5 (3)	C321—C322—H322	119.6
C32—Re3—Te4	158.1 (3)	C322—C323—C324	121.3 (11)
C33—Re3—Te4	84.0 (2)	C322—C323—H323	119.4
C31—Re3—Te4	83.0 (3)	C324—C323—H323	119.4
C32—Re3—Te2	81.5 (3)	C325—C324—C323	119.0 (10)
C33—Re3—Te2	82.7 (3)	C325—C324—H324	120.5
C31—Re3—Te2	158.4 (3)	C323—C324—H324	120.5
C32—Re3—Re1	138.3 (3)	C324—C325—C326	120.1 (10)
C33—Re3—Re1	97.2 (3)	C324—C325—H325	120.0
C31—Re3—Re1	139.7 (3)	C326—C325—H325	120.0
C32—Re3—Re4	96.0 (3)	C325—C326—C321	120.8 (9)
C33—Re3—Re4	139.4 (3)	C325—C326—H326	119.6
C31—Re3—Re4	138.2 (3)	C321—C326—H326	119.6
C32—Re3—Re2	140.2 (3)	C332—C331—C336	120.2 (9)
C33—Re3—Re2	140.5 (2)	C332—C331—P3	119.9 (8)
C31—Re3—Re2	95.9 (3)	C336—C331—P3	119.2 (8)
C41—Re4—C42	79.9 (4)	C331—C332—C333	122.0 (10)
C41—Re4—C43	80.4 (4)	C331—C332—H332	119.0
C42—Re4—C43	79.0 (4)	C333—C332—H332	119.0
C41—Re4—Te1	83.0 (3)	C332—C333—C334	117.6 (11)
C42—Re4—Te1	156.0 (2)	C332—C333—H333	121.2
C43—Re4—Te1	81.7 (3)	C334—C333—H333	121.2
C41—Re4—Te3	81.6 (3)	C335—C334—C333	120.8 (11)
C42—Re4—Te3	84.4 (2)	C335—C334—H334	119.6
C43—Re4—Te3	157.4 (3)	C333—C334—H334	119.6
C41—Re4—Te2	159.0 (3)	C336—C335—C334	120.0 (11)
C42—Re4—Te2	83.0 (3)	C336—C335—H335	120.0
C43—Re4—Te2	84.4 (3)	C334—C335—H335	120.0
C41—Re4—Re3	139.3 (3)	C335—C336—C331	119.3 (11)
C42—Re4—Re3	140.0 (3)	C335—C336—H336	120.4
C43—Re4—Re3	97.1 (3)	C331—C336—H336	120.4
C41—Re4—Re2	95.4 (3)	C342—C341—C346	120.1 (11)
C42—Re4—Re2	141.2 (2)	C342—C341—P3	120.4 (9)
C43—Re4—Re2	138.7 (3)	C346—C341—P3	119.5 (8)
C41—Re4—Re1	138.2 (3)	C341—C342—C343	119.4 (12)
C42—Re4—Re1	98.7 (2)	C341—C342—H342	120.3
C43—Re4—Re1	140.9 (3)	C343—C342—H342	120.3
C131—P1—C121	110.4 (5)	C344—C343—C342	117.9 (12)
C131—P1—C141	110.9 (5)	C344—C343—H343	121.0
C121—P1—C141	109.9 (5)	C342—C343—H343	121.0
C131—P1—C111	106.0 (6)	C345—C344—C343	122.2 (14)
C121—P1—C111	109.8 (5)	C345—C344—H344	118.9
C141—P1—C111	109.8 (5)	C343—C344—H344	118.9
C221—P2—C211	109.6 (5)	C344—C345—C346	119.9 (13)
C221—P2—C241	110.8 (5)	C344—C345—H345	120.0
C211—P2—C241	108.4 (5)	C346—C345—H345	120.1
C221—P2—C231	107.3 (5)	C341—C346—C345	120.4 (11)
C211—P2—C231	110.1 (5)	C341—C346—H346	119.8
C241—P2—C231	110.7 (5)	C345—C346—H346	119.8
C321—P3—C341	110.6 (5)	C412—C411—C416	119.5 (10)
C321—P3—C331	108.8 (5)	C412—C411—P4	121.3 (8)
C341—P3—C331	110.5 (5)	C416—C411—P4	118.9 (8)
C321—P3—C311	107.8 (5)	C411—C412—C413	121.3 (11)
C341—P3—C311	108.9 (5)	C411—C412—H412	119.4
C331—P3—C311	110.2 (5)	C413—C412—H412	119.4
C411—P4—C441	110.6 (5)	C414—C413—C412	119.1 (11)
C411—P4—C431	112.1 (5)	C414—C413—H413	120.5
C441—P4—C431	107.3 (5)	C412—C413—H413	120.5
C411—P4—C421	108.2 (5)	C413—C414—C415	121.0 (11)
C441—P4—C421	111.2 (5)	C413—C414—H414	119.5
C431—P4—C421	107.5 (5)	C415—C414—H414	119.5
N11—C11—Re1	178.4 (9)	C414—C415—C416	120.0 (13)
N12—C12—Re1	175.6 (11)	C414—C415—H415	120.0
N13—C13—Re1	177.7 (9)	C416—C415—H415	120.0
N21—C21—Re2	176.5 (8)	C415—C416—C411	119.0 (11)
N22—C22—Re2	177.1 (10)	C415—C416—H416	120.5
N23—C23—Re2	174.6 (10)	C411—C416—H416	120.5
N31—C31—Re3	178.2 (10)	C426—C421—C422	120.6 (11)
N32—C32—Re3	176.6 (9)	C426—C421—P4	121.3 (9)
N33—C33—Re3	176.7 (9)	C422—C421—P4	118.0 (9)
N41—C41—Re4	177.1 (10)	C421—C422—C423	118.4 (12)
N42—C42—Re4	174.5 (9)	C421—C422—H422	120.8
N43—C43—Re4	172.7 (10)	C423—C422—H422	120.8
C112—C111—C116	120.2 (10)	C422—C423—C424	121.2 (13)
C112—C111—P1	119.8 (9)	C422—C423—H423	119.4
C116—C111—P1	119.9 (9)	C424—C423—H423	119.4
C113—C112—C111	118.5 (12)	C425—C424—C423	118.7 (12)
C113—C112—H112	120.7	C425—C424—H424	120.6
C111—C112—H112	120.7	C423—C424—H424	120.6
C114—C113—C112	121.5 (13)	C424—C425—C426	122.1 (12)
C114—C113—H113	119.2	C424—C425—H425	118.9
C112—C113—H113	119.2	C426—C425—H425	118.9
C115—C114—C113	119.9 (12)	C421—C426—C425	118.7 (11)
C115—C114—H114	120.0	C421—C426—H426	120.6
C113—C114—H114	120.0	C425—C426—H426	120.6
C114—C115—C116	119.3 (13)	C432—C431—C436	121.1 (11)
C114—C115—H115	120.4	C432—C431—P4	118.3 (10)
C116—C115—H115	120.4	C436—C431—P4	120.6 (9)
C115—C116—C111	120.5 (12)	C433—C432—C431	118.0 (14)
C115—C116—H116	119.7	C433—C432—H432	121.0
C111—C116—H116	119.7	C431—C432—H432	121.0
C122—C121—C126	119.7 (10)	C434—C433—C432	119.9 (17)
C122—C121—P1	121.8 (8)	C434—C433—H433	120.0
C126—C121—P1	118.5 (9)	C432—C433—H433	120.0
C123—C122—C121	119.2 (11)	C433—C434—C435	123.0 (18)
C123—C122—H122	120.4	C433—C434—H434	118.5
C121—C122—H122	120.4	C435—C434—H434	118.5
C122—C123—C124	123.9 (11)	C434—C435—C436	120.0 (16)
C122—C123—H123	118.1	C434—C435—H435	120.0
C124—C123—H123	118.1	C436—C435—H435	120.0
C125—C124—C123	116.7 (12)	C435—C436—C431	117.7 (12)
C125—C124—H124	121.7	C435—C436—H436	121.1
C123—C124—H124	121.7	C431—C436—H436	121.1
C124—C125—C126	122.2 (12)	C442—C441—C446	116.7 (11)
C124—C125—H125	118.9	C442—C441—P4	120.2 (10)
C126—C125—H125	118.9	C446—C441—P4	123.0 (9)
C121—C126—C125	118.4 (11)	C441—C442—C443	121.7 (13)
C121—C126—H126	120.8	C441—C442—H442	119.1
C125—C126—H126	120.8	C443—C442—H442	119.1
C136—C131—C132	120.1 (11)	C444—C443—C442	120.6 (14)
C136—C131—P1	121.0 (9)	C444—C443—H443	119.7
C132—C131—P1	118.9 (10)	C442—C443—H443	119.7
C131—C132—C133	116.6 (11)	C443—C444—C445	119.8 (13)
C131—C132—H132	121.7	C443—C444—H444	120.1
C133—C132—H132	121.7	C445—C444—H444	120.1
C134—C133—C132	120.6 (12)	C444—C445—C446	119.9 (12)
C134—C133—H133	119.7	C444—C445—H445	120.0
C132—C133—H133	119.7	C446—C445—H445	120.0
C133—C134—C135	122.1 (12)	C445—C446—C441	121.2 (12)
C133—C134—H134	119.0	C445—C446—H446	119.4
C135—C134—H134	119.0	C441—C446—H446	119.4

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A new chalcocyanide cubane rhenium salt: tetrakis­(tetra­phenyl­phospho­nium) dodeca­cyano-hexahedro-tetratelluriumtetrarhenate(IV) trihydrate

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A new chalcocyanide cubane rhenium salt: tetrakis(tetraphenylphosphonium) dodecacyano-hexahedro-tetratelluriumtetrarhenate(IV) trihydrate