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Vaska-type complexes, i.e. trans-[RhX(CO)(PPh3)2] (X is a halogen or pseudo­halogen), undergo a range of reactions and exhibit considerable catalytic activity. The electron density on the RhI atom in these complexes plays an im­portant role in their reactivity. Many cyano­trihydridoborate (BH3CN) com­plexes of Group 6–8 transition metals have been synthesized and structurally characterized, an exception being the rhodium(I) complex. Carbon­yl(cyano­trihydridoborato-κN)bis­(tri­phenyl­phosphine-κP)rhodium(I), [Rh(NCBH3)(CO)(C18H15P)2], was prepared by the metathesis reaction of sodium cyano­tri­hydridoborate with trans-[RhCl(CO)(PPh3)2], and was characterized by single-crystal X-ray diffraction analysis and IR, 1H, 13C and 11B NMR spectroscopy. The X-ray diffraction data indicate that the cyano­trihydridoborate ligand coordinates to the RhI atom through the N atom in a trans position with respect to the carbonyl ligand; this was also confirmed by the IR and NMR data. The carbonyl stretching frequency ν(CO) and the carbonyl carbon 1JC–Rh and 1JC–P coupling constants of the Cipso atoms of the triphenylphosphine groups reflect the diminished electron density on the central RhI atom compared to the parent trans-[RhCl(CO)(PPh3)2] complex.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229616008536/ly3032sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229616008536/ly3032Isup2.hkl
Contains datablock I

mol

MDL mol file https://doi.org/10.1107/S2053229616008536/ly3032Isup3.mol
Supplementary material

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229616008536/ly3032sup4.pdf
General experimental procedures

CCDC reference: 1450635

Computing details top

Data collection: CrysAlis PRO (Agilent, 2014); cell refinement: CrysAlis PRO (Agilent, 2014); data reduction: CrysAlis PRO (Agilent, 2014); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Carbonyl(cyanotrihydridoborato-κN)bis(triphenylphosphine-κP)rhodium(I) top
Crystal data top
[Rh(CH3BN)(CO)(C18H15P)2]F(000) = 1424
Mr = 695.31Dx = 1.411 Mg m3
Monoclinic, P21/cCu Kα radiation, λ = 1.54178 Å
a = 13.9227 (1) ÅCell parameters from 33390 reflections
b = 12.3500 (1) Åθ = 4.2–73.5°
c = 19.7966 (1) ŵ = 5.38 mm1
β = 105.987 (1)°T = 123 K
V = 3272.28 (4) Å3Plate, yellow
Z = 40.23 × 0.13 × 0.04 mm
Data collection top
Agilent SuperNova Single Source
diffractometer with an Atlas detector
6570 independent reflections
Radiation source: sealed X-ray tube, SuperNova (Cu) X-ray Source6129 reflections with I > 2σ(I)
Mirror monochromatorRint = 0.027
Detector resolution: 5.1773 pixels mm-1θmax = 73.7°, θmin = 3.3°
ω scansh = 1717
Absorption correction: gaussian
(CrysAlis PRO; Agilent, 2014)
k = 1415
Tmin = 0.186, Tmax = 0.706l = 2424
45590 measured reflections
Refinement top
Refinement on F272 restraints
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.021H-atom parameters constrained
wR(F2) = 0.056 w = 1/[σ2(Fo2) + (0.0325P)2 + 1.0597P]
where P = (Fo2 + 2Fc2)/3
S = 1.08(Δ/σ)max = 0.003
6570 reflectionsΔρmax = 0.36 e Å3
452 parametersΔρmin = 0.56 e Å3
Special details top

Experimental. CrysAlisPro, Agilent Technologies, Version 1.171.37.31d (release 11-02-2014 CrysAlis171 .NET) (compiled Feb 11 2014,18:09:27) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.

Crystallographic data and details of diffraction experiment for (2) are given in the Table 1 and deposited in Cambridge Crystallographic Data Centre under the code CCDC 1450635.

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 (Å2) top
xyzUiso*/UeqOcc. (<1)
Rh10.73503 (2)0.56499 (2)0.41983 (2)0.02494 (5)
N10.82165 (11)0.53014 (11)0.51849 (7)0.0326 (3)
C10.87733 (15)0.50901 (14)0.57081 (9)0.0370 (4)
B10.9596 (3)0.4798 (2)0.64131 (13)0.0686 (9)
H1A1.01640.44800.63030.103*
H1B0.93240.42930.66800.103*
H1C0.97990.54440.66840.103*
C20.65934 (13)0.59485 (13)0.33044 (10)0.0346 (4)
O10.61246 (11)0.61247 (11)0.27439 (7)0.0492 (4)
P10.69357 (3)0.38432 (3)0.39413 (2)0.02617 (9)
C1110.74308 (13)0.28177 (13)0.46076 (8)0.0300 (3)
C1120.84580 (14)0.28016 (14)0.49117 (9)0.0344 (4)
H1120.88580.33320.47940.041*
C1130.88900 (15)0.19970 (14)0.53907 (9)0.0395 (4)
H1130.95760.19940.55970.047*
C1140.82958 (17)0.12001 (14)0.55588 (9)0.0417 (5)
H1140.85840.06600.58780.050*
C1150.72795 (17)0.12046 (14)0.52548 (10)0.0436 (5)
H1150.68850.06640.53670.052*
C1160.68388 (15)0.20139 (13)0.47805 (10)0.0373 (4)
H1160.61510.20170.45800.045*
C1210.55822 (12)0.37601 (11)0.37490 (8)0.0252 (3)
C1220.51429 (12)0.39827 (12)0.42911 (8)0.0279 (3)
H1220.55460.40860.47460.033*
C1230.41169 (13)0.40499 (14)0.41564 (9)0.0323 (3)
H1230.38320.41900.45210.039*
C1240.35131 (14)0.39082 (17)0.34787 (10)0.0419 (4)
H1240.28230.39610.33860.050*
C1250.39386 (15)0.36882 (19)0.29399 (10)0.0482 (5)
H1250.35310.35910.24850.058*
C1260.49690 (14)0.36117 (15)0.30718 (9)0.0374 (4)
H1260.52490.34610.27060.045*
C1310.7183 (7)0.3134 (6)0.3137 (4)0.0225 (14)0.5
C1320.7846 (6)0.3640 (5)0.2844 (4)0.0324 (14)0.5
H1320.80720.43360.29830.039*0.5
C1330.8175 (5)0.3098 (7)0.2336 (3)0.0413 (16)0.5
H1330.86500.34180.21480.050*0.5
C1340.7806 (5)0.2101 (6)0.2111 (3)0.0482 (15)0.5
H1340.80200.17470.17640.058*0.5
C1350.7119 (5)0.1615 (4)0.2395 (3)0.0502 (13)0.5
H1350.68650.09370.22350.060*0.5
C1360.6799 (4)0.2130 (5)0.2921 (3)0.0361 (11)0.5
H1360.63390.18030.31190.043*0.5
C1410.7377 (7)0.3386 (7)0.3256 (5)0.0234 (14)0.5
C1420.7972 (6)0.3993 (5)0.2942 (4)0.0253 (11)0.5
H1420.81270.47030.30900.030*0.5
C1430.8349 (4)0.3567 (4)0.2405 (3)0.0316 (12)0.5
H1430.87220.40000.21870.038*0.5
C1440.8157 (5)0.2506 (6)0.2208 (3)0.0350 (13)0.5
H1440.84100.22190.18580.042*0.5
C1450.7602 (4)0.1862 (4)0.2518 (3)0.0367 (10)0.5
H1450.74800.11440.23810.044*0.5
C1460.7218 (4)0.2292 (5)0.3043 (3)0.0302 (11)0.5
H1460.68490.18490.32570.036*0.5
P20.74681 (3)0.74960 (3)0.44377 (2)0.02491 (8)
C2110.62427 (13)0.81437 (15)0.41329 (8)0.0348 (4)
C2120.61247 (17)0.92239 (17)0.39291 (10)0.0448 (5)
H2120.66810.96490.39450.054*
C2130.51675 (19)0.9667 (2)0.37006 (11)0.0607 (7)
H2130.50881.03880.35590.073*
C2140.43431 (18)0.9047 (2)0.36835 (11)0.0644 (8)
H2140.37080.93480.35290.077*
C2150.44537 (15)0.7987 (2)0.38930 (11)0.0574 (6)
H2150.38930.75750.38890.069*
C2160.54004 (13)0.75242 (19)0.41123 (9)0.0430 (5)
H2160.54700.68000.42450.052*
C2210.79140 (12)0.78914 (12)0.53606 (8)0.0287 (3)
C2220.72855 (14)0.83414 (13)0.57257 (9)0.0341 (4)
H2220.66120.84490.55000.041*
C2230.76682 (17)0.86292 (14)0.64285 (10)0.0413 (4)
H2230.72470.89280.66710.050*
C2240.86659 (17)0.84758 (14)0.67696 (9)0.0412 (4)
H2240.89180.86850.72360.049*
C2250.92912 (15)0.80071 (14)0.64131 (9)0.0372 (4)
H2250.99610.78890.66440.045*
C2260.89155 (13)0.77142 (13)0.57118 (9)0.0314 (3)
H2260.93360.73980.54750.038*
C2310.82451 (12)0.82938 (12)0.40206 (8)0.0255 (3)
C2320.85997 (15)0.93094 (12)0.42820 (9)0.0338 (4)
H2320.85070.95480.47050.041*
C2330.90894 (15)0.99662 (13)0.39167 (10)0.0370 (4)
H2330.93191.06450.40930.044*
C2340.92371 (14)0.96111 (13)0.32870 (9)0.0325 (3)
H2340.95531.00580.30360.039*
C2350.89148 (12)0.85938 (13)0.30336 (8)0.0289 (3)
H2350.90270.83510.26170.035*
C2360.84240 (11)0.79315 (12)0.33991 (8)0.0259 (3)
H2360.82140.72440.32290.031*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rh10.02319 (7)0.02207 (7)0.02976 (7)0.00205 (4)0.00763 (5)0.01014 (4)
N10.0433 (8)0.0251 (7)0.0302 (7)0.0081 (6)0.0114 (6)0.0069 (6)
C10.0586 (11)0.0243 (8)0.0285 (8)0.0063 (8)0.0127 (8)0.0030 (6)
B10.116 (3)0.0364 (12)0.0319 (11)0.0026 (14)0.0152 (13)0.0041 (10)
C20.0331 (9)0.0222 (7)0.0449 (10)0.0041 (6)0.0047 (7)0.0115 (7)
O10.0528 (8)0.0356 (7)0.0443 (7)0.0076 (6)0.0116 (6)0.0153 (6)
P10.0332 (2)0.02002 (18)0.02971 (19)0.00715 (15)0.01613 (16)0.00809 (14)
C1110.0450 (9)0.0221 (7)0.0283 (7)0.0138 (7)0.0191 (7)0.0070 (6)
C1120.0470 (10)0.0258 (8)0.0332 (8)0.0119 (7)0.0155 (7)0.0045 (6)
C1130.0556 (11)0.0311 (9)0.0317 (8)0.0194 (8)0.0119 (8)0.0022 (7)
C1140.0731 (13)0.0288 (9)0.0295 (8)0.0263 (9)0.0246 (9)0.0096 (7)
C1150.0711 (13)0.0268 (8)0.0474 (10)0.0201 (9)0.0407 (10)0.0151 (8)
C1160.0519 (11)0.0256 (8)0.0438 (9)0.0140 (7)0.0291 (8)0.0122 (7)
C1210.0352 (8)0.0135 (6)0.0293 (7)0.0021 (6)0.0127 (6)0.0013 (5)
C1220.0327 (8)0.0241 (7)0.0270 (7)0.0013 (6)0.0087 (6)0.0021 (6)
C1230.0322 (8)0.0320 (8)0.0353 (8)0.0051 (7)0.0138 (7)0.0015 (7)
C1240.0307 (9)0.0524 (11)0.0411 (9)0.0185 (8)0.0073 (7)0.0001 (8)
C1250.0441 (11)0.0664 (13)0.0310 (9)0.0280 (10)0.0050 (8)0.0064 (9)
C1260.0476 (10)0.0377 (9)0.0305 (8)0.0160 (8)0.0168 (7)0.0072 (7)
C1310.038 (4)0.015 (4)0.016 (3)0.005 (2)0.009 (2)0.005 (2)
C1320.026 (2)0.044 (4)0.022 (2)0.004 (3)0.0008 (17)0.005 (3)
C1330.033 (3)0.061 (5)0.032 (3)0.008 (4)0.012 (2)0.003 (4)
C1340.056 (4)0.060 (4)0.028 (2)0.030 (3)0.011 (3)0.007 (3)
C1350.078 (4)0.034 (3)0.036 (2)0.021 (3)0.011 (3)0.0056 (18)
C1360.058 (3)0.020 (2)0.031 (2)0.003 (2)0.014 (2)0.0030 (16)
C1410.036 (3)0.012 (3)0.020 (3)0.005 (2)0.005 (2)0.005 (2)
C1420.024 (2)0.029 (3)0.024 (3)0.000 (2)0.0085 (18)0.003 (2)
C1430.028 (2)0.039 (3)0.031 (2)0.005 (2)0.0139 (18)0.006 (2)
C1440.039 (3)0.039 (4)0.027 (3)0.013 (3)0.009 (2)0.001 (3)
C1450.048 (3)0.031 (2)0.029 (2)0.0110 (19)0.007 (2)0.0034 (17)
C1460.038 (3)0.027 (3)0.026 (2)0.000 (2)0.009 (2)0.0008 (16)
P20.02629 (18)0.02312 (18)0.02792 (18)0.00674 (14)0.01181 (14)0.00907 (14)
C2110.0341 (8)0.0471 (10)0.0274 (8)0.0184 (8)0.0157 (7)0.0135 (7)
C2120.0519 (12)0.0492 (11)0.0398 (10)0.0289 (9)0.0234 (9)0.0192 (8)
C2130.0710 (15)0.0741 (15)0.0440 (11)0.0520 (13)0.0276 (11)0.0276 (11)
C2140.0505 (13)0.111 (2)0.0361 (10)0.0524 (14)0.0202 (9)0.0251 (12)
C2150.0345 (10)0.1048 (19)0.0374 (10)0.0248 (11)0.0173 (8)0.0179 (11)
C2160.0331 (9)0.0663 (13)0.0336 (9)0.0147 (9)0.0159 (7)0.0177 (9)
C2210.0385 (8)0.0210 (7)0.0301 (8)0.0060 (6)0.0154 (7)0.0103 (6)
C2220.0466 (10)0.0268 (8)0.0348 (8)0.0108 (7)0.0213 (7)0.0127 (7)
C2230.0690 (13)0.0286 (8)0.0357 (9)0.0118 (8)0.0301 (9)0.0109 (7)
C2240.0725 (13)0.0260 (8)0.0275 (8)0.0034 (8)0.0178 (8)0.0099 (7)
C2250.0499 (10)0.0273 (8)0.0326 (8)0.0006 (7)0.0080 (7)0.0108 (7)
C2260.0392 (9)0.0253 (8)0.0317 (8)0.0047 (7)0.0130 (7)0.0065 (6)
C2310.0304 (8)0.0200 (7)0.0294 (7)0.0075 (6)0.0137 (6)0.0057 (6)
C2320.0538 (11)0.0209 (7)0.0351 (8)0.0056 (7)0.0265 (8)0.0014 (6)
C2330.0622 (11)0.0159 (7)0.0406 (9)0.0007 (7)0.0271 (8)0.0010 (7)
C2340.0462 (9)0.0232 (7)0.0343 (8)0.0008 (7)0.0217 (7)0.0042 (6)
C2350.0352 (8)0.0271 (8)0.0284 (7)0.0003 (6)0.0154 (6)0.0012 (6)
C2360.0297 (7)0.0200 (7)0.0297 (7)0.0015 (6)0.0114 (6)0.0007 (6)
Geometric parameters (Å, º) top
Rh1—N12.0389 (14)C141—C1421.385 (14)
Rh1—C21.8305 (18)C141—C1461.414 (7)
Rh1—P12.3257 (4)C142—H1420.9300
Rh1—P22.3253 (4)C142—C1431.410 (11)
N1—C11.140 (2)C143—H1430.9300
C1—B11.584 (3)C143—C1441.373 (7)
B1—H1A0.9600C144—H1440.9300
B1—H1B0.9600C144—C1451.367 (8)
B1—H1C0.9600C145—H1450.9300
C2—O11.143 (2)C145—C1461.398 (8)
P1—C1111.8216 (15)C146—H1460.9300
P1—C1211.8197 (16)P2—C2111.8296 (16)
P1—C1311.929 (8)P2—C2211.8268 (17)
P1—C1411.732 (10)P2—C2311.8207 (15)
C111—C1121.391 (3)C211—C2121.390 (3)
C111—C1161.392 (2)C211—C2161.391 (3)
C112—H1120.9300C212—H2120.9300
C112—C1131.391 (2)C212—C2131.396 (3)
C113—H1130.9300C213—H2130.9300
C113—C1141.384 (3)C213—C2141.373 (4)
C114—H1140.9300C214—H2140.9300
C114—C1151.377 (3)C214—C2151.369 (4)
C115—H1150.9300C215—H2150.9300
C115—C1161.393 (2)C215—C2161.392 (3)
C116—H1160.9300C216—H2160.9300
C121—C1221.401 (2)C221—C2221.395 (2)
C121—C1261.389 (2)C221—C2261.394 (2)
C122—H1220.9300C222—H2220.9300
C122—C1231.382 (2)C222—C2231.392 (3)
C123—H1230.9300C223—H2230.9300
C123—C1241.384 (3)C223—C2241.380 (3)
C124—H1240.9300C224—H2240.9300
C124—C1251.382 (3)C224—C2251.389 (3)
C125—H1250.9300C225—H2250.9300
C125—C1261.389 (3)C225—C2261.390 (2)
C126—H1260.9300C226—H2260.9300
C131—C1321.370 (14)C231—C2321.394 (2)
C131—C1361.371 (7)C231—C2361.395 (2)
C132—H1320.9300C232—H2320.9300
C132—C1331.387 (11)C232—C2331.385 (2)
C133—H1330.9300C233—H2330.9300
C133—C1341.361 (9)C233—C2341.389 (2)
C134—H1340.9300C234—H2340.9300
C134—C1351.375 (9)C234—C2351.381 (2)
C135—H1350.9300C235—H2350.9300
C135—C1361.392 (8)C235—C2361.390 (2)
C136—H1360.9300C236—H2360.9300
N1—Rh1—P193.02 (4)C142—C141—P1124.1 (5)
N1—Rh1—P291.25 (4)C142—C141—C146116.6 (8)
C2—Rh1—N1178.72 (7)C146—C141—P1119.0 (7)
C2—Rh1—P186.54 (5)C141—C142—H142119.0
C2—Rh1—P289.37 (5)C141—C142—C143121.9 (5)
P2—Rh1—P1169.933 (14)C143—C142—H142119.0
C1—N1—Rh1173.47 (15)C142—C143—H143120.4
N1—C1—B1176.7 (2)C144—C143—C142119.1 (6)
C1—B1—H1A109.5C144—C143—H143120.4
C1—B1—H1B109.5C143—C144—H144119.4
C1—B1—H1C109.5C145—C144—C143121.2 (6)
H1A—B1—H1B109.5C145—C144—H144119.4
H1A—B1—H1C109.5C144—C145—H145120.3
H1B—B1—H1C109.5C144—C145—C146119.5 (5)
O1—C2—Rh1179.25 (18)C146—C145—H145120.3
C111—P1—Rh1119.15 (6)C141—C146—H146119.2
C111—P1—C13199.4 (3)C145—C146—C141121.6 (6)
C121—P1—Rh1106.28 (5)C145—C146—H146119.2
C121—P1—C111106.02 (7)C211—P2—Rh1110.76 (7)
C121—P1—C131102.2 (3)C221—P2—Rh1116.83 (5)
C131—P1—Rh1121.8 (2)C221—P2—C211104.01 (8)
C141—P1—Rh1111.3 (3)C231—P2—Rh1117.10 (5)
C141—P1—C111101.3 (3)C231—P2—C211103.32 (7)
C141—P1—C121112.9 (3)C231—P2—C221103.19 (7)
C112—C111—P1117.54 (12)C212—C211—P2122.69 (15)
C112—C111—C116119.43 (15)C212—C211—C216119.20 (17)
C116—C111—P1122.84 (14)C216—C211—P2118.10 (14)
C111—C112—H112119.8C211—C212—H212120.1
C111—C112—C113120.36 (17)C211—C212—C213119.8 (2)
C113—C112—H112119.8C213—C212—H212120.1
C112—C113—H113120.1C212—C213—H213119.8
C114—C113—C112119.82 (19)C214—C213—C212120.4 (2)
C114—C113—H113120.1C214—C213—H213119.8
C113—C114—H114119.9C213—C214—H214119.9
C115—C114—C113120.16 (16)C215—C214—C213120.18 (19)
C115—C114—H114119.9C215—C214—H214119.9
C114—C115—H115119.8C214—C215—H215119.8
C114—C115—C116120.44 (18)C214—C215—C216120.4 (2)
C116—C115—H115119.8C216—C215—H215119.8
C111—C116—C115119.79 (19)C211—C216—C215120.1 (2)
C111—C116—H116120.1C211—C216—H216120.0
C115—C116—H116120.1C215—C216—H216120.0
C122—C121—P1118.29 (12)C222—C221—P2122.41 (13)
C126—C121—P1122.36 (12)C226—C221—P2118.35 (12)
C126—C121—C122118.90 (15)C226—C221—C222119.24 (16)
C121—C122—H122119.7C221—C222—H222120.1
C123—C122—C121120.68 (15)C223—C222—C221119.85 (18)
C123—C122—H122119.7C223—C222—H222120.1
C122—C123—H123120.0C222—C223—H223119.6
C122—C123—C124119.94 (16)C224—C223—C222120.71 (16)
C124—C123—H123120.0C224—C223—H223119.6
C123—C124—H124120.1C223—C224—H224120.1
C125—C124—C123119.87 (17)C223—C224—C225119.73 (17)
C125—C124—H124120.1C225—C224—H224120.1
C124—C125—H125119.7C224—C225—H225120.0
C124—C125—C126120.55 (17)C224—C225—C226119.99 (18)
C126—C125—H125119.7C226—C225—H225120.0
C121—C126—C125120.07 (16)C221—C226—H226119.8
C121—C126—H126120.0C225—C226—C221120.47 (16)
C125—C126—H126120.0C225—C226—H226119.8
C132—C131—P1115.9 (4)C232—C231—P2120.82 (11)
C132—C131—C136122.0 (7)C232—C231—C236119.01 (14)
C136—C131—P1121.7 (6)C236—C231—P2119.95 (12)
C131—C132—H132120.5C231—C232—H232119.7
C131—C132—C133118.9 (6)C233—C232—C231120.53 (15)
C133—C132—H132120.5C233—C232—H232119.7
C132—C133—H133119.9C232—C233—H233120.0
C134—C133—C132120.2 (6)C232—C233—C234119.98 (16)
C134—C133—H133119.9C234—C233—H233120.0
C133—C134—H134119.9C233—C234—H234120.0
C133—C134—C135120.3 (5)C235—C234—C233119.96 (15)
C135—C134—H134119.9C235—C234—H234120.0
C134—C135—H135119.7C234—C235—H235119.9
C134—C135—C136120.5 (6)C234—C235—C236120.23 (14)
C136—C135—H135119.7C236—C235—H235119.9
C131—C136—C135118.0 (7)C231—C236—H236119.9
C131—C136—H136121.0C235—C236—C231120.22 (14)
C135—C136—H136121.0C235—C236—H236119.9
Comparison of selected experimental parameters (Å, cm-1) of trans-[RhX(CO)(PPh3)2] top
ParameterX = FX = Cl, (1)X = IX = NCOX = NCBH3 (2)
(Wierzbicki et al., 1996)(Ceriotti et al., 1983)(Basson et al., 1990)(Wierzbicki et al., 1996)This work
Rh—X2.046 (2)2.395 (1)2.683 (1)2.047 (2)2.0389 (14)
Rh—P2.3304 (7) 2.3236 (7)2.333 (1) 2.327 (1)2.336 (2) 2.316 (2)2.3293 (6) 2.3313 (6)2.3253 (4) 2.3257 (4)
Rh—C1.796 (3)1.821 (5)1.81 (1)1.829 (2)1.8305 (18)
C—O1.151 (4)1.141 (6)1.14 (1)1.150 (3)1.143 (2)
νCO1971a1978b1961d1980.5a1998c
1978c (this work)
Notes: (a) CH2Cl2 solution; (b) Nujol mulls; (c) CHCl3 solution; (d) CS2 solution (Grinberg et al., 1968).
Selected IR (in CHCl3) and NMR (in CDCl3) data for (1) and (2) top
CompoundνCO (cm-1)1JC–Rh (Hz)1JC–P (Hz)
(1)197874.345.8
(2)199869.847.2
 

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