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A reaction was carried out to make trans-[Re2{O2C-3,5-(OH)2C6H3}2Br2(dppm)2] (dppm is Ph2PCH2PPh2). No trans-[Re2{O2C-3,5-(OH)2C6H3}2Br2(dppm)2] was isolated, how­ever, and a very small quantity of crystalline [Re(dppm)3][ReO4] was obtained after several months. A product of decomposition by disproportionation of a complex of di­rhenium, [Re(dppm)3]ReO4 is an ionic compound that contains a complex cation of ReI bonded to three chelating dppm ligands. Although complexes that contain three chelating dppm ligands are very rare, this is the second time [Re(dppm)3]+ has been observed and characterized struct­urally. In 2000, [Re(dppm)3]+, with I as the counter-ion, was structurally characterized [Rivero et al. (2000). Polyhedron, 19, 2249–2254]. The Re—P distances in the compound we characterized range from 2.408 (3) to 2.473 (3) Å, and the P—Re—P angles, associated with the chelate rings, range from 68.22 (12) to 70.04 (12)°. These values are very similar to those reported by Rivero et al. (2000).

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802010838/cv6110sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802010838/cv6110Isup2.hkl
Contains datablock I

CCDC reference: 189875

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.020 Å
  • R factor = 0.045
  • wR factor = 0.115
  • Data-to-parameter ratio = 19.5

checkCIF results

No syntax errors found

GLOBAL _publ field problems



Red Alert Alert Level A:
PUBL_003 Alert A The contact author's name is missing, _publ_contact_author_name. ADDSYM reports no extra symmetry
Red Alert Alert Level A:
ABSTM_02 Alert A The ratio of Tmax/Tmin expected RT(exp) is > 1.30 An absorption correction should be applied. Tmin and Tmax expected: 0.325 0.457 RT(exp) = 1.406
Author response: We measured psi scans for this crystal and found them to be flat so no correction was applied.
THETM_01  Alert A The value of sine(theta_max)/wavelength is less than 0.550
          Calculated sin(theta_max)/wavelength =    0.4813
Author response: The crystal was weakly diffracting. We have refined the structure so as to maintain a high data to parameter ratio. The structure is quite reasonable and refines will with acceptable residuals. Part of the weakness of the data can be attributed to the disorder that is observed.
General Notes

REFLT_03 From the CIF: _diffrn_reflns_theta_max 20.00 From the CIF: _reflns_number_total 5937 From the CIF: _diffrn_reflns_limit_ max hkl 0. 36. 16. From the CIF: _diffrn_reflns_limit_ min hkl -17. 0. 0. TEST1: Expected hkl limits for theta max Calculated maximum hkl 17. 36. 18. Calculated minimum hkl -17. -36. -18. ALERT: Expected hkl max differ from CIF values
3 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
0 Alert Level C = Please check

Computing details top

Data collection: TEXSAN (Molecular Structure Corporation, 1990); cell refinement: TEXSAN; data reduction: TEXSAN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Siemens, 1993); software used to prepare material for publication: SHELXTL93 (Sheldrick, 1993).

tris[bis(diphenylphosphino)methane]rhenium(I) perrhenate top
Crystal data top
[Re(C25H22P2)3][ReO4]Dx = 1.622 Mg m3
Mr = 1589.50Mo Kα radiation, λ = 0.71069 Å
Orthorhombic, PbcaCell parameters from 25 reflections
a = 17.805 (4) Åθ = 3.5–5.9°
b = 37.831 (14) ŵ = 3.91 mm1
c = 19.3318 (18) ÅT = 293 K
V = 13022 (6) Å3Irregular cut block, yellow
Z = 80.3 × 0.3 × 0.2 mm
F(000) = 6304
Data collection top
Rigaku AFC-5S
diffractometer
Rint = 0.000
Radiation source: normal-focus sealed tubeθmax = 20.0°, θmin = 2.2°
Graphite monochromatorh = 170
2θω scansk = 036
5937 measured reflectionsl = 016
5937 independent reflections3 standard reflections every 150 reflections
4208 reflections with I > 2σ(I) intensity decay: none
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.046Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.115H atoms treated by a mixture of independent and constrained refinement
S = 1.11 w = 1/[σ2(Fo2) + 156.3064P]
where P = (Fo2 + 2Fc2)/3
5937 reflections(Δ/σ)max = 0.001
305 parametersΔρmax = 0.96 e Å3
12 restraintsΔρmin = 0.96 e Å3
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. Psi scans were collected but showed no significant absorption, so an absorption correction was not applied.

The carbon atoms of the phenyl rings were refined isotropically as rigid groups in order to improve the data to parameter ratio and because One phenyl ring of a [bis(diphenylphosphino)methane] ligand was found to be disordered. Attempted anisotropic refinement of the two components of the disordered ring was not stable. For this ring, when only one orientation was included, the ipsocarbon atom had a relatively normal displacement parameter; however, the displacement parameters increased as one approached the para carbon atom. The carbon atoms in the 2 and 6 positions had very similar displacement parameters as did the carbon atoms in the 3 and 5 positions.

This ring was modeled with two as being comprised of two rigid body phenyl rings whose populations were refined to ca 49:51.

When all the carbon atoms of the phenyl rings except for those in the disordered pair were refined anisotropically, the final R was 0.0405 compared to 0.0455 for the isotropic refinement. Under these conditions, one of the carbon atoms showed a high distortion, so the isotropic phenyl ring refinement was chosed as the best.

The two oxygen atoms O(3) and O(4) of the perrhenate ion also showed larger displacement ellipses that O(1) and O(2), but attempts to resolve two independent perrhenate ion orientations were not successful. 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
xyzUiso*/UeqOcc. (<1)
Re10.14951 (3)0.629945 (13)0.97189 (3)0.02574 (18)
P10.26632 (18)0.62843 (9)0.90844 (17)0.0300 (9)
P20.24524 (18)0.66740 (9)1.02858 (19)0.0321 (9)
P30.18200 (18)0.57679 (8)1.03350 (19)0.0317 (9)
P40.09041 (19)0.57951 (9)0.91793 (19)0.0331 (9)
P50.03256 (18)0.64769 (9)1.0308 (2)0.0314 (9)
P60.07606 (19)0.67108 (9)0.90214 (18)0.0303 (9)
C10.3229 (6)0.6496 (3)0.9771 (7)0.033 (3)
H1A0.35270.63261.00280.040*
H1B0.35520.66810.95910.040*
C20.1368 (7)0.5461 (3)0.9729 (7)0.041 (4)
H2A0.10100.53070.99570.050*
H2B0.17300.53210.94740.050*
C30.0110 (7)0.6619 (3)0.9498 (6)0.035 (4)
H3A0.04170.68290.95570.042*
H3B0.04050.64330.92840.042*
C1110.3248 (4)0.58936 (18)0.8873 (4)0.032 (3)*
C1120.4000 (4)0.58882 (19)0.9067 (4)0.034 (3)*
H11A0.41980.60730.93260.040*
C1130.4455 (3)0.5607 (2)0.8873 (5)0.052 (4)*
H11B0.49580.56030.90030.062*
C1140.4158 (5)0.53304 (19)0.8485 (5)0.059 (4)*
H11C0.44630.51420.83560.070*
C1150.3406 (5)0.53358 (19)0.8292 (4)0.060 (4)*
H11D0.32080.51510.80320.072*
C1160.2951 (3)0.5617 (2)0.8486 (4)0.041 (4)*
H11E0.24480.56210.83560.049*
C1210.2850 (5)0.6549 (2)0.8290 (4)0.038 (4)*
C1220.3031 (5)0.6905 (2)0.8344 (4)0.062 (5)*
H12A0.30760.70100.87770.074*
C1230.3143 (5)0.71051 (18)0.7750 (5)0.068 (5)*
H12B0.32640.73440.77850.081*
C1240.3075 (5)0.6949 (2)0.7102 (4)0.063 (5)*
H12C0.31510.70830.67040.075*
C1250.2895 (5)0.6592 (2)0.7048 (4)0.058 (5)*
H12D0.28490.64880.66150.069*
C1260.2782 (5)0.63923 (17)0.7642 (5)0.047 (4)*
H12E0.26610.61540.76070.056*
C2110.2507 (5)0.71622 (15)1.0240 (5)0.036 (3)*
C2120.1892 (4)0.7348 (2)1.0494 (4)0.044 (4)*
H21A0.14740.72261.06580.053*
C2130.1900 (4)0.7715 (2)1.0503 (5)0.058 (4)*
H21B0.14890.78391.06730.069*
C2140.2524 (5)0.78970 (15)1.0259 (5)0.050 (4)*
H21C0.25300.81431.02650.060*
C2150.3139 (4)0.7712 (2)1.0005 (5)0.055 (4)*
H21D0.35570.78340.98410.065*
C2160.3131 (4)0.7344 (2)0.9995 (4)0.041 (4)*
H21E0.35420.72200.98250.049*
C2210.2853 (5)0.6666 (2)1.1173 (4)0.037 (4)*
C2220.3603 (5)0.6585 (2)1.1293 (4)0.048 (4)*
H22A0.39110.65191.09270.057*
C2230.3892 (4)0.6601 (2)1.1960 (5)0.066 (5)*
H22B0.43930.65461.20410.079*
C2240.3430 (6)0.6699 (3)1.2508 (4)0.076 (5)*
H22C0.36240.67111.29540.091*
C2250.2681 (6)0.6781 (2)1.2388 (4)0.074 (5)*
H22D0.23720.68471.27540.089*
C2260.2392 (4)0.6765 (2)1.1720 (5)0.062 (5)*
H22E0.18900.68201.16400.075*
C3110.2768 (4)0.5572 (2)1.0467 (5)0.037 (4)*
C3120.3252 (5)0.57519 (19)1.0906 (4)0.050 (4)*
H31A0.30950.59581.11230.060*
C3130.3973 (5)0.5623 (2)1.1022 (4)0.065 (5)*
H31B0.42970.57441.13160.078*
C3140.4209 (4)0.5315 (2)1.0698 (5)0.067 (5)*
H31C0.46910.52291.07760.080*
C3150.3724 (5)0.51343 (19)1.0259 (5)0.058 (4)*
H31D0.38810.49281.00420.070*
C3160.3003 (4)0.5263 (2)1.0143 (4)0.043 (4)*
H31E0.26790.51420.98490.052*
C3210.1461 (5)0.5669 (2)1.1203 (4)0.038 (4)*
C3220.1097 (5)0.5355 (2)1.1370 (4)0.052 (4)*
H32A0.10100.51871.10290.063*
C3230.0864 (5)0.5294 (2)1.2045 (5)0.067 (5)*
H32B0.06210.50841.21570.080*
C3240.0994 (5)0.5546 (3)1.2554 (4)0.064 (5)*
H32C0.08370.55051.30060.077*
C3250.1357 (5)0.5860 (2)1.2387 (4)0.058 (4)*
H32D0.14440.60291.27270.070*
C3260.1591 (5)0.59216 (18)1.1711 (5)0.049 (4)*
H32E0.18340.61321.16000.058*
C4110.1067 (5)0.5626 (2)0.8298 (3)0.034 (3)*
C4120.1039 (5)0.5264 (2)0.8183 (4)0.056 (4)*
H41A0.09200.51110.85450.067*
C4130.1188 (5)0.51291 (16)0.7529 (5)0.069 (5)*
H41B0.11690.48870.74520.083*
C4140.1366 (5)0.5357 (2)0.6989 (4)0.057 (4)*
H41C0.14660.52670.65510.069*
C4150.1395 (5)0.5719 (2)0.7104 (4)0.050 (4)*
H41D0.15140.58720.67430.060*
C4160.1245 (5)0.58540 (16)0.7758 (4)0.043 (4)*
H41E0.12640.60970.78350.052*
C4210.0109 (4)0.5674 (2)0.9225 (5)0.038 (4)*
C4220.0568 (5)0.5724 (2)0.8652 (4)0.045 (4)*
H42A0.03640.58040.82380.054*
C4230.1333 (5)0.5655 (2)0.8697 (4)0.068 (5)*
H42B0.16410.56880.83140.082*
C4240.1639 (4)0.5535 (3)0.9316 (5)0.078 (5)*
H42C0.21510.54880.93470.093*
C4250.1179 (5)0.5485 (2)0.9889 (4)0.058 (4)*
H42D0.13840.54051.03030.070*
C4260.0415 (5)0.5554 (2)0.9843 (4)0.046 (4)*
H42E0.01070.55211.02270.055*
C5110.0444 (4)0.6235 (2)1.0743 (4)0.035 (3)*
C5120.0309 (4)0.6010 (2)1.1298 (5)0.047 (4)*
H51A0.01820.59601.14310.056*
C5130.0907 (6)0.5861 (2)1.1656 (4)0.070 (5)*
H51B0.08170.57101.20270.084*
C5140.1641 (5)0.5936 (3)1.1458 (5)0.074 (5)*
H51C0.20410.58361.16980.089*
C5150.1776 (4)0.6161 (3)1.0903 (5)0.067 (5)*
H51D0.22670.62111.07710.080*
C5160.1178 (5)0.6311 (2)1.0546 (4)0.044 (4)*
H51E0.12680.64611.01750.053*
C5210.0262 (5)0.6858 (2)1.0905 (4)0.036 (4)*
C5220.0449 (5)0.68009 (19)1.1594 (5)0.048 (4)*
H52A0.06070.65781.17370.058*
C5230.0399 (5)0.7076 (3)1.2068 (4)0.062 (5)*
H52B0.05240.70371.25290.075*
C5240.0163 (5)0.7409 (2)1.1854 (5)0.073 (5)*
H52C0.01300.75931.21710.087*
C5250.0023 (5)0.74661 (18)1.1165 (5)0.070 (5)*
H52D0.01810.76891.10210.084*
C5260.0026 (5)0.7191 (2)1.0690 (4)0.051 (4)*
H52E0.00990.72301.02290.061*
C6010.0897 (12)0.7209 (4)0.8987 (12)0.022 (9)*0.48 (3)
C6020.0268 (12)0.7425 (5)0.9039 (12)0.047 (10)*0.48 (3)
H60A0.02000.73270.91270.057*0.48 (3)
C6030.0341 (14)0.7789 (5)0.8959 (12)0.049 (11)*0.48 (3)
H60B0.00800.79340.89940.059*0.48 (3)
C6040.1042 (16)0.7936 (4)0.8827 (12)0.062 (12)*0.48 (3)
H60C0.10900.81790.87740.074*0.48 (3)
C6050.1670 (12)0.7719 (5)0.8775 (12)0.056 (11)*0.48 (3)
H60D0.21390.78180.86870.067*0.48 (3)
C6060.1598 (11)0.7356 (5)0.8855 (12)0.031 (8)*0.48 (3)
H60E0.20180.72110.88210.038*0.48 (3)
C6110.0672 (12)0.7186 (3)0.8960 (12)0.037 (10)*0.52 (3)
C6120.0031 (11)0.7339 (5)0.8868 (12)0.050 (9)*0.52 (3)
H61A0.04560.71970.88390.060*0.52 (3)
C6130.0098 (12)0.7704 (5)0.8819 (11)0.061 (11)*0.52 (3)
H61B0.05680.78060.87570.073*0.52 (3)
C6140.0538 (15)0.7916 (4)0.8862 (11)0.051 (11)*0.52 (3)
H61C0.04930.81600.88290.061*0.52 (3)
C6150.1241 (13)0.7763 (4)0.8954 (12)0.057 (10)*0.52 (3)
H61D0.16660.79050.89830.069*0.52 (3)
C6160.1308 (11)0.7398 (5)0.9003 (12)0.039 (8)*0.52 (3)
H61E0.17780.72950.90640.047*0.52 (3)
C6210.0535 (7)0.6651 (3)0.8098 (7)0.033 (3)*
C6220.1070 (8)0.6759 (3)0.7622 (7)0.044 (4)*
H62A0.15080.68700.77700.053*
C6230.0948 (8)0.6701 (3)0.6926 (8)0.051 (4)*
H62B0.13180.67610.66070.061*
C6240.0298 (8)0.6558 (4)0.6703 (8)0.060 (5)*
H62C0.02170.65320.62300.071*
C6250.0247 (9)0.6450 (4)0.7160 (8)0.065 (5)*
H62D0.06880.63450.70040.078*
C6260.0119 (8)0.6503 (4)0.7871 (8)0.051 (4)*
H62E0.04840.64370.81900.061*
Re20.59788 (4)0.612517 (19)1.02478 (4)0.0723 (3)
O10.5127 (6)0.6326 (4)1.0141 (7)0.105 (4)
O20.6341 (8)0.6231 (5)1.1003 (7)0.142 (6)
O30.6611 (8)0.6262 (6)0.9661 (9)0.196 (9)
O40.5896 (10)0.5711 (4)1.0192 (17)0.286 (16)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Re10.0274 (3)0.0258 (3)0.0240 (3)0.0002 (3)0.0006 (3)0.0020 (3)
P10.031 (2)0.034 (2)0.025 (2)0.0001 (18)0.0017 (17)0.0019 (18)
P20.029 (2)0.037 (2)0.030 (2)0.0011 (17)0.0014 (19)0.003 (2)
P30.033 (2)0.0290 (19)0.033 (2)0.0059 (16)0.0006 (19)0.0031 (19)
P40.036 (2)0.030 (2)0.033 (2)0.0012 (17)0.0008 (19)0.0001 (18)
P50.030 (2)0.0316 (19)0.033 (2)0.0004 (16)0.0004 (19)0.0033 (19)
P60.033 (2)0.032 (2)0.026 (2)0.0034 (17)0.0005 (18)0.0028 (18)
C10.027 (7)0.039 (8)0.033 (9)0.006 (6)0.002 (7)0.005 (7)
C20.054 (9)0.031 (8)0.039 (9)0.006 (7)0.002 (8)0.002 (8)
C30.035 (8)0.033 (8)0.036 (9)0.010 (7)0.003 (7)0.013 (7)
Re20.0653 (5)0.0693 (5)0.0824 (6)0.0034 (4)0.0183 (5)0.0109 (5)
O10.066 (8)0.132 (11)0.117 (11)0.028 (8)0.038 (8)0.024 (10)
O20.123 (12)0.220 (17)0.083 (10)0.056 (12)0.017 (9)0.007 (11)
O30.081 (11)0.37 (3)0.134 (14)0.069 (15)0.018 (11)0.038 (17)
O40.138 (15)0.069 (11)0.65 (5)0.015 (11)0.06 (2)0.051 (19)
Geometric parameters (Å, º) top
Re1—P32.408 (3)C322—H32A0.9300
Re1—P42.416 (3)C323—C3241.3900
Re1—P12.415 (3)C323—H32B0.9300
Re1—P62.439 (3)C324—C3251.3900
Re1—P52.466 (3)C324—H32C0.9300
Re1—P22.473 (3)C325—C3261.3900
P1—C1111.853 (7)C325—H32D0.9300
P1—C1211.862 (7)C326—H32E0.9300
P1—C11.850 (12)C411—C4121.3900
P2—C11.831 (12)C411—C4161.3900
P2—C2111.852 (7)C412—C4131.3900
P2—C2211.858 (8)C412—H41A0.9300
P3—C3211.834 (8)C413—C4141.3900
P3—C21.835 (13)C413—H41B0.9300
P3—C3111.861 (7)C414—C4151.3900
P4—C4111.842 (7)C414—H41C0.9300
P4—C21.846 (13)C415—C4161.3900
P4—C4211.863 (7)C415—H41D0.9300
P5—C31.829 (12)C416—H41E0.9300
P5—C5111.851 (7)C421—C4221.3900
P5—C5211.851 (7)C421—C4261.3900
P6—C6111.807 (14)C422—C4231.3900
P6—C31.836 (13)C422—H42A0.9300
P6—C6211.843 (13)C423—C4241.3900
P6—C6011.901 (15)C423—H42B0.9300
C1—H1A0.9700C424—C4251.3900
C1—H1B0.9700C424—H42C0.9300
C2—H2A0.9700C425—C4261.3900
C2—H2B0.9700C425—H42D0.9300
C3—H3A0.9700C426—H42E0.9300
C3—H3B0.9700C511—C5121.3900
C111—C1121.3900C511—C5161.3900
C111—C1161.3900C512—C5131.3900
C112—C1131.3900C512—H51A0.9300
C112—H11A0.9300C513—C5141.3900
C113—C1141.3900C513—H51B0.9300
C113—H11B0.9300C514—C5151.3900
C114—C1151.3900C514—H51C0.9300
C114—H11C0.9300C515—C5161.3900
C115—C1161.3900C515—H51D0.9300
C115—H11D0.9300C516—H51E0.9300
C116—H11E0.9300C521—C5221.3900
C121—C1221.3900C521—C5261.3900
C121—C1261.3900C522—C5231.3900
C122—C1231.3900C522—H52A0.9300
C122—H12A0.9300C523—C5241.3900
C123—C1241.3900C523—H52B0.9300
C123—H12B0.9300C524—C5251.3900
C124—C1251.3900C524—H52C0.9300
C124—H12C0.9300C525—C5261.3900
C125—C1261.3900C525—H52D0.9300
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C226—H22E0.9300C621—C6261.363 (17)
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C312—C3131.3900C622—H62A0.9300
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C313—C3141.3900C623—H62B0.9300
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C314—C3151.3900C624—H62C0.9300
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C315—C3161.3900C625—H62D0.9300
C315—H31D0.9300C626—H62E0.9300
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C321—C3221.3900Re2—O21.645 (14)
C321—C3261.3900Re2—O31.680 (17)
C322—C3231.3900Re2—O11.709 (11)
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P3—Re1—P191.41 (12)C316—C315—H31D120.0
P4—Re1—P197.87 (12)C314—C315—H31D120.0
P3—Re1—P6159.24 (12)C315—C316—C311120.0
P4—Re1—P691.81 (12)C315—C316—H31E120.0
P1—Re1—P6101.31 (12)C311—C316—H31E120.0
P3—Re1—P5101.64 (12)C322—C321—C326120.0
P4—Re1—P592.67 (12)C322—C321—P3123.3 (5)
P1—Re1—P5165.45 (12)C326—C321—P3116.7 (5)
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P3—Re1—P295.38 (12)C321—C322—H32A120.0
P4—Re1—P2160.78 (11)C323—C322—H32A120.0
P1—Re1—P269.21 (11)C322—C323—C324120.0
P6—Re1—P2104.42 (11)C322—C323—H32B120.0
P5—Re1—P2102.80 (12)C324—C323—H32B120.0
C111—P1—C12198.4 (4)C325—C324—C323120.0
C111—P1—C1101.4 (5)C325—C324—H32C120.0
C121—P1—C1105.2 (5)C323—C324—H32C120.0
C111—P1—Re1127.9 (3)C324—C325—C326120.0
C121—P1—Re1124.1 (3)C324—C325—H32D120.0
C1—P1—Re195.4 (4)C326—C325—H32D120.0
C1—P2—C211107.5 (5)C325—C326—C321120.0
C1—P2—C221101.9 (5)C325—C326—H32E120.0
C211—P2—C22192.3 (4)C321—C326—H32E120.0
C1—P2—Re194.0 (4)C412—C411—C416120.0
C211—P2—Re1125.9 (3)C412—C411—P4119.0 (5)
C221—P2—Re1131.7 (3)C416—C411—P4121.0 (5)
C321—P3—C2107.6 (5)C411—C412—C413120.0
C321—P3—C31196.3 (4)C411—C412—H41A120.0
C2—P3—C311103.4 (5)C413—C412—H41A120.0
C321—P3—Re1122.6 (3)C412—C413—C414120.0
C2—P3—Re196.2 (4)C412—C413—H41B120.0
C311—P3—Re1128.2 (3)C414—C413—H41B120.0
C411—P4—C2103.0 (5)C415—C414—C413120.0
C411—P4—C42196.4 (4)C415—C414—H41C120.0
C2—P4—C421103.7 (5)C413—C414—H41C120.0
C411—P4—Re1127.2 (3)C414—C415—C416120.0
C2—P4—Re195.6 (4)C414—C415—H41D120.0
C421—P4—Re1126.6 (3)C416—C415—H41D120.0
C3—P5—C511102.8 (5)C415—C416—C411120.0
C3—P5—C521106.1 (5)C415—C416—H41E120.0
C511—P5—C52193.2 (4)C411—C416—H41E120.0
C3—P5—Re192.5 (4)C422—C421—C426120.0
C511—P5—Re1134.5 (3)C422—C421—P4119.9 (5)
C521—P5—Re1123.4 (3)C426—C421—P4120.0 (5)
C611—P6—C398.4 (8)C421—C422—C423120.0
C611—P6—C62192.2 (8)C421—C422—H42A120.0
C3—P6—C621106.2 (6)C423—C422—H42A120.0
C3—P6—C601108.2 (8)C422—C423—C424120.0
C621—P6—C60196.6 (8)C422—C423—H42B120.0
C611—P6—Re1135.8 (7)C424—C423—H42B120.0
C3—P6—Re193.2 (4)C425—C424—C423120.0
C621—P6—Re1125.0 (4)C425—C424—H42C120.0
C601—P6—Re1125.7 (7)C423—C424—H42C120.0
P2—C1—P197.9 (5)C424—C425—C426120.0
P2—C1—H1A112.2C424—C425—H42D120.0
P1—C1—H1A112.2C426—C425—H42D120.0
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P1—C1—H1B112.2C425—C426—H42E120.0
H1A—C1—H1B109.8C421—C426—H42E120.0
P3—C2—P497.5 (6)C512—C511—C516120.0
P3—C2—H2A112.3C512—C511—P5121.7 (5)
P4—C2—H2A112.3C516—C511—P5118.0 (5)
P3—C2—H2B112.3C511—C512—C513120.0
P4—C2—H2B112.3C511—C512—H51A120.0
H2A—C2—H2B109.9C513—C512—H51A120.0
P5—C3—P697.3 (6)C512—C513—C514120.0
P5—C3—H3A112.3C512—C513—H51B120.0
P6—C3—H3A112.3C514—C513—H51B120.0
P5—C3—H3B112.3C515—C514—C513120.0
P6—C3—H3B112.3C515—C514—H51C120.0
H3A—C3—H3B109.9C513—C514—H51C120.0
C112—C111—C116120.0C516—C515—C514120.0
C112—C111—P1119.6 (5)C516—C515—H51D120.0
C116—C111—P1120.3 (5)C514—C515—H51D120.0
C111—C112—C113120.0C515—C516—C511120.0
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C113—C112—H11A120.0C511—C516—H51E120.0
C114—C113—C112120.0C522—C521—C526120.0
C114—C113—H11B120.0C522—C521—P5117.4 (5)
C112—C113—H11B120.0C526—C521—P5122.6 (5)
C113—C114—C115120.0C523—C522—C521120.0
C113—C114—H11C120.0C523—C522—H52A120.0
C115—C114—H11C120.0C521—C522—H52A120.0
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C114—C115—H11D120.0C522—C523—H52B120.0
C116—C115—H11D120.0C524—C523—H52B120.0
C115—C116—C111120.0C525—C524—C523120.0
C115—C116—H11E120.0C525—C524—H52C120.0
C111—C116—H11E120.0C523—C524—H52C120.0
C122—C121—C126120.0C524—C525—C526120.0
C122—C121—P1120.0 (5)C524—C525—H52D120.0
C126—C121—P1119.9 (5)C526—C525—H52D120.0
C123—C122—C121120.0C525—C526—C521120.0
C123—C122—H12A120.0C525—C526—H52E120.0
C121—C122—H12A120.0C521—C526—H52E120.0
C122—C123—C124120.0C602—C601—C606120.0
C122—C123—H12B120.0C602—C601—P6118.6 (11)
C124—C123—H12B120.0C606—C601—P6121.2 (11)
C123—C124—C125120.0C601—C602—C603120.0
C123—C124—H12C120.0C601—C602—H60A120.0
C125—C124—H12C120.0C603—C602—H60A120.0
C126—C125—C124120.0C604—C603—C602120.0
C126—C125—H12D120.0C604—C603—H60B120.0
C124—C125—H12D120.0C602—C603—H60B120.0
C125—C126—C121120.0C603—C604—C605120.0
C125—C126—H12E120.0C603—C604—H60C120.0
C121—C126—H12E120.0C605—C604—H60C120.0
C212—C211—C216120.0C604—C605—C606120.0
C212—C211—P2116.4 (5)C604—C605—H60D120.0
C216—C211—P2123.5 (5)C606—C605—H60D120.0
C211—C212—C213120.0C605—C606—C601120.0
C211—C212—H21A120.0C605—C606—H60E120.0
C213—C212—H21A120.0C601—C606—H60E120.0
C212—C213—C214120.0C612—C611—C616120.0
C212—C213—H21B120.0C612—C611—P6120.1 (11)
C214—C213—H21B120.0C616—C611—P6119.9 (11)
C213—C214—C215120.0C613—C612—C611120.0
C213—C214—H21C120.0C613—C612—H61A120.0
C215—C214—H21C120.0C611—C612—H61A120.0
C216—C215—C214120.0C612—C613—C614120.0
C216—C215—H21D120.0C612—C613—H61B120.0
C214—C215—H21D120.0C614—C613—H61B120.0
C215—C216—C211120.0C615—C614—C613120.0
C215—C216—H21E120.0C615—C614—H61C120.0
C211—C216—H21E120.0C613—C614—H61C120.0
C222—C221—C226120.0C616—C615—C614120.0
C222—C221—P2121.8 (5)C616—C615—H61D120.0
C226—C221—P2118.2 (6)C614—C615—H61D120.0
C223—C222—C221120.0C615—C616—C611120.0
C223—C222—H22A120.0C615—C616—H61E120.0
C221—C222—H22A120.0C611—C616—H61E120.0
C222—C223—C224120.0C626—C621—C622119.6 (13)
C222—C223—H22B120.0C626—C621—P6123.2 (11)
C224—C223—H22B120.0C622—C621—P6117.2 (10)
C225—C224—C223120.0C623—C622—C621119.4 (13)
C225—C224—H22C120.0C623—C622—H62A120.3
C223—C224—H22C120.0C621—C622—H62A120.3
C224—C225—C226120.0C624—C623—C622120.8 (15)
C224—C225—H22D120.0C624—C623—H62B119.6
C226—C225—H22D120.0C622—C623—H62B119.6
C225—C226—C221120.0C623—C624—C625121.3 (16)
C225—C226—H22E120.0C623—C624—H62C119.4
C221—C226—H22E120.0C625—C624—H62C119.4
C312—C311—C316120.0C626—C625—C624118.1 (15)
C312—C311—P3116.8 (5)C626—C625—H62D120.9
C316—C311—P3123.2 (5)C624—C625—H62D120.9
C311—C312—C313120.0C621—C626—C625120.7 (14)
C311—C312—H31A120.0C621—C626—H62E119.6
C313—C312—H31A120.0C625—C626—H62E119.6
C314—C313—C312120.0O4—Re2—O2109.8 (12)
C314—C313—H31B120.0O4—Re2—O3108.8 (13)
C312—C313—H31B120.0O2—Re2—O3105.1 (9)
C313—C314—C315120.0O4—Re2—O1110.5 (8)
C313—C314—H31C120.0O2—Re2—O1110.3 (6)
C315—C314—H31C120.0O3—Re2—O1112.1 (7)
 

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