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In the title compound, [Rh(C2H11B9)(NO3)(C18H15P)2]·2.2CH2Cl2, studied as a 2.2-solvate of what was assumed to be di­chloro­methane, the nitrate ligand lies cis with respect to both cage C atoms. Accordingly, the compound displays a pronounced preferred exopolyhedral ligand orientation (ELO) which is traced to both the greater trans influence of the cage B over the cage C atoms and the greater trans influence of the tri­phenyl­phosphane ligands over the nitrate ligand. The overall mol­ecular architecture therefore agrees with that of a number of similar 3-L-3,3-L2-3,1,2-closo-MC2B9H11 species in the literature.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229615008724/fa3366sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229615008724/fa3366Isup2.hkl
Contains datablock I

mol

MDL mol file https://doi.org/10.1107/S2053229615008724/fa3366Isup3.mol
Supplementary material

CCDC reference: 1063258

Computing details top

Data collection: APEX2 (Bruker, 2009); cell refinement: APEX2 (Bruker, 2009); data reduction: SAINT (Bruker, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008) and publCIF (Westrip, 2010); program(s) used to refine structure: SHEXL2014 (Sheldrick, 2015); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

3-(Nitrato-κO)-3,3-bis(triphenylphosphane-κP)-3-rhoda-1,2-dicarba-closo-dodecaborane(11) dichloromethane 2.2-solvate top
Crystal data top
[Rh(C2H11B9)(NO3)(C18H15P)2]·2.2CH2Cl2Z = 2
Mr = 1008.69F(000) = 1025
Triclinic, P1Dx = 1.562 Mg m3
a = 11.2934 (9) ÅMo Kα radiation, λ = 0.71073 Å
b = 13.0083 (10) ÅCell parameters from 9956 reflections
c = 15.8655 (13) Åθ = 2.4–28.3°
α = 91.083 (4)°µ = 0.79 mm1
β = 110.514 (4)°T = 100 K
γ = 99.713 (4)°PLATE, orange
V = 2144.0 (3) Å30.56 × 0.32 × 0.08 mm
Data collection top
Bruker APEXII CCD
diffractometer
8793 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.035
φ and ω scansθmax = 28.5°, θmin = 2.2°
Absorption correction: multi-scan
(SADABS; Bruker, 2008)
h = 1514
Tmin = 0.660, Tmax = 0.746k = 1717
40881 measured reflectionsl = 2120
10603 independent reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullHydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.035H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.089 w = 1/[σ2(Fo2) + (0.0442P)2 + 1.0745P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max = 0.002
10597 reflectionsΔρmax = 1.04 e Å3
520 parametersΔρmin = 0.74 e Å3
Special details top

Experimental. Absorption correction: SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0598 before and 0.0451 after correction. The ratio of minimum to maximum transmission is 0.8849.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
P10.77241 (5)0.67698 (4)0.74878 (3)0.01271 (11)
N10.87860 (18)0.65330 (15)0.52152 (13)0.0215 (4)
C10.9582 (2)0.92169 (16)0.61657 (14)0.0137 (4)
H10.997 (2)0.8910 (19)0.5816 (16)0.016*
P21.10932 (5)0.74601 (4)0.77396 (4)0.01356 (11)
C20.8018 (2)0.88723 (17)0.58661 (14)0.0151 (4)
H20.765 (2)0.841 (2)0.5386 (17)0.018*
Rh30.90764 (2)0.79625 (2)0.69438 (2)0.01151 (5)
B41.0307 (2)0.95430 (19)0.73121 (17)0.0167 (5)
H41.131 (2)0.953 (2)0.7639 (16)0.020*
B51.0059 (3)1.0516 (2)0.64997 (17)0.0194 (5)
H51.090 (2)1.097 (2)0.6397 (17)0.023*
B60.8624 (3)1.00666 (19)0.55738 (17)0.0184 (5)
H60.848 (2)1.017 (2)0.4851 (17)0.022*
B70.7524 (2)0.89183 (19)0.67575 (16)0.0149 (5)
H70.667 (2)0.847 (2)0.6730 (16)0.018*
B80.8979 (2)0.93764 (19)0.77311 (16)0.0161 (5)
H80.905 (2)0.927 (2)0.8480 (16)0.019*
B90.9657 (3)1.06382 (19)0.74833 (17)0.0186 (5)
H91.023 (2)1.125 (2)0.8029 (17)0.022*
B100.8633 (3)1.0969 (2)0.64256 (17)0.0195 (5)
H100.854 (2)1.173 (2)0.6309 (17)0.023*
B110.7322 (3)0.9899 (2)0.59632 (17)0.0188 (5)
H110.636 (2)0.996 (2)0.5488 (17)0.023*
B120.7956 (3)1.0254 (2)0.71529 (17)0.0186 (5)
H120.739 (2)1.068 (2)0.7481 (17)0.022*
O310.89962 (15)0.66171 (11)0.60529 (11)0.0190 (3)
O320.91609 (17)0.58184 (14)0.49219 (11)0.0283 (4)
O330.8204 (2)0.71454 (16)0.47201 (12)0.0383 (5)
C1010.7601 (2)0.73522 (16)0.84977 (14)0.0154 (4)
C1020.8653 (2)0.74040 (17)0.93054 (14)0.0164 (4)
H1020.93510.70780.93200.020*
C1030.8682 (2)0.79282 (18)1.00855 (15)0.0208 (5)
H1030.93970.79591.06320.025*
C1040.7667 (2)0.84065 (19)1.00641 (16)0.0238 (5)
H1040.76850.87671.05960.029*
C1050.6621 (2)0.83591 (19)0.92634 (16)0.0234 (5)
H1050.59290.86920.92510.028*
C1060.6579 (2)0.78303 (17)0.84843 (15)0.0179 (4)
H1060.58560.77940.79420.022*
C1070.7981 (2)0.54445 (16)0.77742 (14)0.0148 (4)
C1080.7805 (2)0.50118 (18)0.85334 (15)0.0187 (4)
H1080.76880.54460.89750.022*
C1090.7799 (2)0.39519 (18)0.86463 (16)0.0227 (5)
H1090.76860.36660.91660.027*
C1100.7958 (2)0.33164 (18)0.79988 (16)0.0243 (5)
H1100.79510.25930.80720.029*
C1110.8127 (2)0.37379 (18)0.72415 (16)0.0231 (5)
H1110.82310.32990.67970.028*
C1120.8146 (2)0.47955 (17)0.71287 (15)0.0186 (4)
H1120.82700.50780.66120.022*
C1130.6081 (2)0.63853 (17)0.66624 (14)0.0154 (4)
C1140.5795 (2)0.65316 (17)0.57549 (15)0.0185 (4)
H1140.64470.68810.55560.022*
C1150.4552 (2)0.61682 (19)0.51286 (16)0.0233 (5)
H1150.43630.62680.45070.028*
C1160.3602 (2)0.56643 (18)0.54162 (16)0.0229 (5)
H1160.27540.54310.49940.028*
C1170.3888 (2)0.54987 (18)0.63250 (16)0.0218 (5)
H1170.32370.51430.65210.026*
C1180.5122 (2)0.58524 (18)0.69455 (16)0.0201 (5)
H1180.53150.57320.75640.024*
C2011.1125 (2)0.60599 (17)0.78369 (14)0.0155 (4)
C2021.1095 (2)0.56430 (18)0.86388 (15)0.0190 (5)
H2021.10210.60790.90980.023*
C2031.1172 (2)0.45993 (19)0.87707 (16)0.0233 (5)
H2031.11470.43240.93160.028*
C2041.1285 (2)0.39596 (19)0.81007 (17)0.0252 (5)
H2041.13650.32520.81960.030*
C2051.1282 (2)0.43527 (18)0.72979 (16)0.0223 (5)
H2051.13400.39090.68370.027*
C2061.1193 (2)0.53952 (18)0.71585 (15)0.0186 (4)
H2061.11800.56560.66010.022*
C2071.2198 (2)0.79311 (17)0.71462 (14)0.0163 (4)
C2081.3287 (2)0.87055 (18)0.75613 (16)0.0214 (5)
H2081.34800.89760.81640.026*
C2091.4090 (2)0.9083 (2)0.71018 (17)0.0258 (5)
H2091.48250.96110.73930.031*
C2101.3833 (2)0.8699 (2)0.62250 (17)0.0258 (5)
H2101.43950.89520.59170.031*
C2111.2745 (2)0.79390 (19)0.57993 (16)0.0215 (5)
H2111.25580.76750.51950.026*
C2121.1927 (2)0.75624 (17)0.62513 (14)0.0170 (4)
H2121.11770.70500.59500.020*
C2131.2025 (2)0.79606 (17)0.89153 (14)0.0173 (4)
C2141.1578 (2)0.85900 (17)0.94137 (15)0.0191 (5)
H2141.07770.88050.91350.023*
C2151.2303 (2)0.89048 (18)1.03202 (15)0.0217 (5)
H2151.19830.93221.06580.026*
C2161.3480 (2)0.86155 (19)1.07301 (16)0.0257 (5)
H2161.39680.88331.13480.031*
C2171.3952 (2)0.80033 (19)1.02359 (16)0.0252 (5)
H2171.47710.78161.05120.030*
C2181.3221 (2)0.76673 (19)0.93362 (15)0.0216 (5)
H2181.35340.72360.90050.026*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
P10.0157 (3)0.0113 (3)0.0117 (2)0.0039 (2)0.0050 (2)0.00183 (19)
N10.0206 (10)0.0178 (10)0.0248 (10)0.0050 (8)0.0059 (8)0.0033 (8)
C10.0180 (10)0.0117 (10)0.0138 (10)0.0050 (8)0.0076 (8)0.0046 (8)
P20.0155 (3)0.0129 (3)0.0126 (3)0.0047 (2)0.0044 (2)0.0025 (2)
C20.0195 (11)0.0135 (10)0.0118 (10)0.0059 (8)0.0039 (8)0.0025 (8)
Rh30.01449 (9)0.00958 (8)0.01125 (8)0.00430 (6)0.00461 (6)0.00194 (6)
B40.0203 (12)0.0104 (11)0.0195 (12)0.0028 (9)0.0072 (10)0.0027 (9)
B50.0282 (14)0.0115 (12)0.0200 (12)0.0039 (10)0.0103 (11)0.0020 (9)
B60.0270 (13)0.0138 (12)0.0187 (12)0.0083 (10)0.0109 (11)0.0079 (9)
B70.0196 (12)0.0128 (11)0.0141 (11)0.0080 (9)0.0060 (10)0.0024 (9)
B80.0218 (12)0.0135 (12)0.0150 (11)0.0082 (9)0.0067 (10)0.0024 (9)
B90.0279 (13)0.0114 (11)0.0177 (12)0.0048 (10)0.0090 (11)0.0026 (9)
B100.0279 (14)0.0133 (12)0.0190 (12)0.0075 (10)0.0088 (11)0.0025 (10)
B110.0250 (13)0.0169 (12)0.0160 (12)0.0100 (10)0.0063 (10)0.0039 (9)
B120.0272 (13)0.0163 (12)0.0156 (12)0.0097 (10)0.0089 (10)0.0035 (9)
O310.0262 (8)0.0080 (7)0.0302 (9)0.0043 (6)0.0186 (7)0.0006 (6)
O320.0341 (10)0.0276 (10)0.0256 (9)0.0122 (8)0.0111 (8)0.0055 (7)
O330.0647 (13)0.0356 (11)0.0199 (9)0.0301 (10)0.0120 (9)0.0071 (8)
C1010.0207 (11)0.0120 (10)0.0158 (10)0.0035 (8)0.0090 (9)0.0031 (8)
C1020.0182 (11)0.0152 (10)0.0171 (10)0.0036 (8)0.0076 (9)0.0032 (8)
C1030.0267 (12)0.0187 (11)0.0159 (11)0.0028 (9)0.0071 (9)0.0020 (9)
C1040.0349 (13)0.0207 (12)0.0199 (11)0.0049 (10)0.0149 (10)0.0001 (9)
C1050.0282 (13)0.0200 (12)0.0268 (12)0.0084 (10)0.0140 (10)0.0016 (10)
C1060.0204 (11)0.0161 (11)0.0186 (11)0.0056 (9)0.0075 (9)0.0045 (8)
C1070.0146 (10)0.0121 (10)0.0164 (10)0.0028 (8)0.0037 (8)0.0015 (8)
C1080.0219 (11)0.0166 (11)0.0178 (11)0.0045 (9)0.0070 (9)0.0032 (8)
C1090.0273 (12)0.0171 (11)0.0227 (12)0.0018 (9)0.0084 (10)0.0073 (9)
C1100.0278 (12)0.0119 (11)0.0281 (12)0.0026 (9)0.0044 (10)0.0036 (9)
C1110.0289 (13)0.0148 (11)0.0235 (12)0.0064 (9)0.0061 (10)0.0020 (9)
C1120.0236 (11)0.0162 (11)0.0150 (10)0.0030 (9)0.0060 (9)0.0014 (8)
C1130.0144 (10)0.0133 (10)0.0171 (10)0.0048 (8)0.0031 (8)0.0009 (8)
C1140.0203 (11)0.0156 (11)0.0186 (11)0.0023 (9)0.0065 (9)0.0006 (8)
C1150.0251 (12)0.0240 (12)0.0168 (11)0.0037 (10)0.0033 (9)0.0015 (9)
C1160.0181 (11)0.0178 (12)0.0275 (12)0.0053 (9)0.0009 (10)0.0027 (9)
C1170.0185 (11)0.0177 (11)0.0314 (13)0.0032 (9)0.0117 (10)0.0024 (9)
C1180.0218 (11)0.0163 (11)0.0217 (11)0.0034 (9)0.0073 (9)0.0040 (9)
C2010.0138 (10)0.0143 (10)0.0180 (10)0.0058 (8)0.0035 (8)0.0037 (8)
C2020.0220 (11)0.0196 (11)0.0176 (11)0.0058 (9)0.0086 (9)0.0035 (9)
C2030.0276 (12)0.0223 (12)0.0218 (12)0.0089 (10)0.0088 (10)0.0107 (9)
C2040.0315 (13)0.0161 (11)0.0308 (13)0.0109 (10)0.0111 (11)0.0101 (10)
C2050.0269 (12)0.0188 (12)0.0255 (12)0.0073 (9)0.0131 (10)0.0025 (9)
C2060.0207 (11)0.0197 (11)0.0184 (11)0.0066 (9)0.0091 (9)0.0052 (9)
C2070.0168 (10)0.0173 (11)0.0180 (10)0.0083 (8)0.0074 (9)0.0087 (8)
C2080.0215 (11)0.0205 (12)0.0209 (11)0.0043 (9)0.0057 (9)0.0047 (9)
C2090.0168 (11)0.0267 (13)0.0306 (13)0.0032 (9)0.0047 (10)0.0097 (10)
C2100.0222 (12)0.0307 (14)0.0327 (13)0.0135 (10)0.0149 (11)0.0185 (11)
C2110.0234 (12)0.0268 (13)0.0197 (11)0.0131 (10)0.0100 (9)0.0103 (9)
C2120.0168 (10)0.0182 (11)0.0189 (11)0.0080 (8)0.0077 (9)0.0076 (8)
C2130.0187 (11)0.0158 (11)0.0151 (10)0.0024 (8)0.0035 (9)0.0033 (8)
C2140.0227 (11)0.0165 (11)0.0169 (11)0.0031 (9)0.0058 (9)0.0041 (8)
C2150.0304 (13)0.0166 (11)0.0171 (11)0.0023 (9)0.0083 (10)0.0009 (9)
C2160.0308 (13)0.0235 (13)0.0156 (11)0.0022 (10)0.0026 (10)0.0024 (9)
C2170.0221 (12)0.0261 (13)0.0218 (12)0.0028 (10)0.0015 (10)0.0048 (10)
C2180.0193 (11)0.0273 (13)0.0176 (11)0.0069 (9)0.0045 (9)0.0038 (9)
Geometric parameters (Å, º) top
P1—Rh32.3789 (6)C104—C1051.391 (4)
P1—C1011.818 (2)C105—H1050.9500
P1—C1071.836 (2)C105—C1061.385 (3)
P1—C1131.835 (2)C106—H1060.9500
N1—O311.265 (2)C107—C1081.401 (3)
N1—O321.231 (2)C107—C1121.396 (3)
N1—O331.234 (3)C108—H1080.9500
C1—H10.93 (2)C108—C1091.393 (3)
C1—C21.639 (3)C109—H1090.9500
C1—Rh32.184 (2)C109—C1101.385 (3)
C1—B41.723 (3)C110—H1100.9500
C1—B51.698 (3)C110—C1111.390 (3)
C1—B61.734 (3)C111—H1110.9500
P2—Rh32.3931 (6)C111—C1121.388 (3)
P2—C2011.836 (2)C112—H1120.9500
P2—C2071.845 (2)C113—C1141.385 (3)
P2—C2131.832 (2)C113—C1181.398 (3)
C2—H20.89 (3)C114—H1140.9500
C2—Rh32.208 (2)C114—C1151.401 (3)
C2—B61.729 (3)C115—H1150.9500
C2—B71.695 (3)C115—C1161.381 (3)
C2—B111.690 (3)C116—H1160.9500
Rh3—B42.219 (2)C116—C1171.392 (3)
Rh3—B72.256 (2)C117—H1170.9500
Rh3—B82.243 (2)C117—C1181.388 (3)
Rh3—O312.1982 (14)C118—H1180.9500
B4—H41.07 (3)C201—C2021.401 (3)
B4—B51.808 (4)C201—C2061.399 (3)
B4—B81.826 (4)C202—H2020.9500
B4—B91.767 (4)C202—C2031.390 (3)
B5—H51.10 (3)C203—H2030.9500
B5—B61.762 (4)C203—C2041.392 (3)
B5—B91.783 (4)C204—H2040.9500
B5—B101.773 (4)C204—C2051.380 (3)
B6—H61.11 (2)C205—H2050.9500
B6—B101.769 (4)C205—C2061.393 (3)
B6—B111.768 (4)C206—H2060.9500
B7—H71.02 (2)C207—C2081.397 (3)
B7—B81.816 (3)C207—C2121.400 (3)
B7—B111.796 (4)C208—H2080.9500
B7—B121.764 (3)C208—C2091.385 (3)
B8—H81.17 (2)C209—H2090.9500
B8—B91.802 (4)C209—C2101.382 (4)
B8—B121.795 (4)C210—H2100.9500
B9—H91.10 (2)C210—C2111.388 (4)
B9—B101.782 (4)C211—H2110.9500
B9—B121.782 (4)C211—C2121.390 (3)
B10—H101.02 (3)C212—H2120.9500
B10—B111.782 (4)C213—C2141.394 (3)
B10—B121.789 (4)C213—C2181.402 (3)
B11—H111.10 (3)C214—H2140.9500
B11—B121.788 (4)C214—C2151.395 (3)
B12—H121.15 (2)C215—H2150.9500
C101—C1021.400 (3)C215—C2161.380 (4)
C101—C1061.394 (3)C216—H2160.9500
C102—H1020.9500C216—C2171.395 (4)
C102—C1031.389 (3)C217—H2170.9500
C103—H1030.9500C217—C2181.393 (3)
C103—C1041.385 (3)C218—H2180.9500
C104—H1040.9500
C101—P1—Rh3110.47 (7)B10—B9—B1260.26 (15)
C101—P1—C107103.72 (10)B12—B9—B5107.79 (18)
C101—P1—C113107.10 (10)B12—B9—B860.12 (14)
C107—P1—Rh3124.16 (7)B12—B9—H9123.2 (13)
C113—P1—Rh3112.86 (7)B5—B10—B960.20 (15)
C113—P1—C10796.77 (10)B5—B10—H10121.8 (14)
O32—N1—O31117.74 (19)B5—B10—B11107.49 (18)
O32—N1—O33122.3 (2)B5—B10—B12107.91 (18)
O33—N1—O31119.99 (19)B6—B10—B559.66 (14)
C2—C1—H1116.8 (15)B6—B10—B9107.85 (18)
C2—C1—Rh368.87 (11)B6—B10—H10122.0 (14)
C2—C1—B4111.42 (16)B6—B10—B1159.72 (14)
C2—C1—B5110.57 (17)B6—B10—B12107.82 (18)
C2—C1—B661.60 (14)B9—B10—H10121.6 (14)
Rh3—C1—H1104.4 (15)B9—B10—B11107.87 (18)
B4—C1—H1123.9 (15)B9—B10—B1259.88 (15)
B4—C1—Rh368.03 (11)B11—B10—H10122.0 (14)
B4—C1—B6115.20 (17)B11—B10—B1260.10 (15)
B5—C1—H1119.3 (15)B12—B10—H10121.8 (14)
B5—C1—Rh3127.33 (14)C2—B11—B659.93 (14)
B5—C1—B463.80 (14)C2—B11—B758.11 (13)
B5—C1—B661.77 (14)C2—B11—B10104.58 (18)
B6—C1—H1112.0 (15)C2—B11—H11121.2 (13)
B6—C1—Rh3127.60 (14)C2—B11—B12102.95 (17)
C201—P2—Rh3118.20 (7)B6—B11—B7108.97 (17)
C201—P2—C207105.89 (10)B6—B11—B1059.79 (15)
C207—P2—Rh3107.49 (7)B6—B11—H11118.7 (13)
C213—P2—Rh3120.79 (7)B6—B11—B12107.91 (18)
C213—P2—C20199.56 (10)B7—B11—H11120.9 (14)
C213—P2—C207103.15 (10)B10—B11—B7107.76 (18)
C1—C2—H2114.6 (16)B10—B11—H11125.2 (14)
C1—C2—Rh367.32 (10)B10—B11—B1260.15 (14)
C1—C2—B661.91 (14)B12—B11—B758.96 (14)
C1—C2—B7112.36 (16)B12—B11—H11126.9 (13)
C1—C2—B11111.92 (17)B7—B12—B861.34 (14)
Rh3—C2—H2104.1 (17)B7—B12—B9108.44 (18)
B6—C2—H2111.3 (16)B7—B12—B10108.87 (17)
B6—C2—Rh3126.43 (14)B7—B12—B1160.74 (14)
B7—C2—H2124.6 (16)B7—B12—H12124.4 (13)
B7—C2—Rh369.21 (11)B8—B12—H12123.0 (13)
B7—C2—B6115.82 (17)B9—B12—B860.49 (14)
B11—C2—H2119.7 (17)B9—B12—B1059.86 (15)
B11—C2—Rh3128.37 (14)B9—B12—B11107.58 (17)
B11—C2—B662.28 (15)B9—B12—H12120.6 (13)
B11—C2—B764.07 (14)B10—B12—B8109.85 (18)
P1—Rh3—P299.23 (2)B10—B12—H12117.2 (13)
C1—Rh3—P1157.40 (6)B11—B12—B8110.37 (17)
C1—Rh3—P2103.37 (6)B11—B12—B1059.75 (14)
C1—Rh3—C243.81 (8)B11—B12—H12120.1 (13)
C1—Rh3—B446.07 (9)N1—O31—Rh3130.71 (14)
C1—Rh3—B777.18 (9)C102—C101—P1117.22 (16)
C1—Rh3—B878.75 (8)C106—C101—P1123.19 (17)
C1—Rh3—O3198.65 (7)C106—C101—C102119.29 (19)
C2—Rh3—P1113.77 (6)C101—C102—H102119.8
C2—Rh3—P2146.33 (6)C103—C102—C101120.5 (2)
C2—Rh3—B477.74 (9)C103—C102—H102119.8
C2—Rh3—B744.62 (8)C102—C103—H103120.1
C2—Rh3—B877.71 (8)C104—C103—C102119.8 (2)
B4—Rh3—P1139.94 (7)C104—C103—H103120.1
B4—Rh3—P281.33 (7)C103—C104—H104120.0
B4—Rh3—B781.22 (9)C103—C104—C105120.0 (2)
B4—Rh3—B848.30 (9)C105—C104—H104120.0
B7—Rh3—P182.54 (7)C104—C105—H105119.7
B7—Rh3—P2154.43 (6)C106—C105—C104120.6 (2)
B8—Rh3—P194.89 (7)C106—C105—H105119.7
B8—Rh3—P2107.01 (7)C101—C106—H106120.1
B8—Rh3—B747.59 (9)C105—C106—C101119.9 (2)
O31—Rh3—P185.43 (4)C105—C106—H106120.1
O31—Rh3—P278.95 (5)C108—C107—P1122.52 (16)
O31—Rh3—C296.54 (7)C112—C107—P1117.62 (16)
O31—Rh3—B4133.01 (8)C112—C107—C108119.0 (2)
O31—Rh3—B7126.52 (8)C107—C108—H108119.7
O31—Rh3—B8173.86 (8)C109—C108—C107120.6 (2)
C1—B4—Rh365.90 (11)C109—C108—H108119.7
C1—B4—H4119.7 (13)C108—C109—H109120.1
C1—B4—B557.44 (13)C110—C109—C108119.8 (2)
C1—B4—B8104.62 (17)C110—C109—H109120.1
C1—B4—B9103.14 (17)C109—C110—H110120.0
Rh3—B4—H4113.8 (14)C109—C110—C111120.0 (2)
B5—B4—Rh3119.58 (15)C111—C110—H110120.0
B5—B4—H4111.1 (14)C110—C111—H111119.7
B5—B4—B8108.24 (17)C112—C111—C110120.6 (2)
B8—B4—Rh366.55 (11)C112—C111—H111119.7
B8—B4—H4131.7 (13)C107—C112—H112120.0
B9—B4—Rh3120.33 (16)C111—C112—C107120.1 (2)
B9—B4—H4120.9 (13)C111—C112—H112120.0
B9—B4—B559.81 (14)C114—C113—P1121.47 (17)
B9—B4—B860.18 (14)C114—C113—C118119.3 (2)
C1—B5—B458.76 (13)C118—C113—P1118.97 (17)
C1—B5—H5121.1 (13)C113—C114—H114119.8
C1—B5—B660.09 (14)C113—C114—C115120.4 (2)
C1—B5—B9103.47 (18)C115—C114—H114119.8
C1—B5—B10105.25 (18)C114—C115—H115120.0
B4—B5—H5118.8 (14)C116—C115—C114119.9 (2)
B6—B5—B4109.65 (18)C116—C115—H115120.0
B6—B5—H5120.4 (13)C115—C116—H116120.0
B6—B5—B9108.13 (19)C115—C116—C117120.0 (2)
B6—B5—B1060.07 (15)C117—C116—H116120.0
B9—B5—B458.93 (14)C116—C117—H117119.9
B9—B5—H5125.4 (13)C118—C117—C116120.2 (2)
B10—B5—B4108.17 (18)C118—C117—H117119.9
B10—B5—H5125.8 (14)C113—C118—H118119.9
B10—B5—B960.14 (15)C117—C118—C113120.2 (2)
C1—B6—B558.13 (14)C117—C118—H118119.9
C1—B6—H6120.8 (13)C202—C201—P2117.99 (16)
C1—B6—B10103.93 (17)C206—C201—P2123.43 (17)
C1—B6—B11103.95 (17)C206—C201—C202118.6 (2)
C2—B6—C156.50 (13)C201—C202—H202119.6
C2—B6—B5103.61 (17)C203—C202—C201120.8 (2)
C2—B6—H6119.0 (13)C203—C202—H202119.6
C2—B6—B10103.50 (17)C202—C203—H203120.1
C2—B6—B1157.79 (14)C202—C203—C204119.7 (2)
B5—B6—H6125.8 (13)C204—C203—H203120.1
B5—B6—B1060.28 (15)C203—C204—H204120.0
B5—B6—B11108.59 (18)C205—C204—C203120.1 (2)
B10—B6—H6129.9 (13)C205—C204—H204120.0
B11—B6—H6121.7 (13)C204—C205—H205119.8
B11—B6—B1060.49 (15)C204—C205—C206120.5 (2)
C2—B7—Rh366.17 (11)C206—C205—H205119.8
C2—B7—H7120.6 (13)C201—C206—H206119.9
C2—B7—B8105.33 (17)C205—C206—C201120.3 (2)
C2—B7—B1157.82 (13)C205—C206—H206119.9
C2—B7—B12103.76 (17)C208—C207—P2120.85 (17)
Rh3—B7—H7112.7 (14)C208—C207—C212118.3 (2)
B8—B7—Rh365.82 (11)C212—C207—P2120.77 (17)
B8—B7—H7129.2 (14)C207—C208—H208119.7
B11—B7—Rh3119.97 (15)C209—C208—C207120.6 (2)
B11—B7—H7113.0 (14)C209—C208—H208119.7
B11—B7—B8109.10 (18)C208—C209—H209119.6
B12—B7—Rh3119.56 (15)C210—C209—C208120.8 (2)
B12—B7—H7121.5 (14)C210—C209—H209119.6
B12—B7—B860.19 (14)C209—C210—H210120.4
B12—B7—B1160.30 (14)C209—C210—C211119.3 (2)
Rh3—B8—H8116.4 (12)C211—C210—H210120.4
B4—B8—Rh365.14 (10)C210—C211—H211119.8
B4—B8—H8126.6 (12)C210—C211—C212120.4 (2)
B7—B8—Rh366.58 (10)C212—C211—H211119.8
B7—B8—B4106.26 (16)C207—C212—H212119.7
B7—B8—H8123.6 (12)C211—C212—C207120.6 (2)
B9—B8—Rh3117.42 (14)C211—C212—H212119.7
B9—B8—B458.28 (14)C214—C213—P2122.89 (17)
B9—B8—B7105.34 (17)C214—C213—C218118.9 (2)
B9—B8—H8117.6 (12)C218—C213—P2118.18 (16)
B12—B8—Rh3118.74 (14)C213—C214—H214119.9
B12—B8—B4105.78 (17)C213—C214—C215120.3 (2)
B12—B8—B758.47 (14)C215—C214—H214119.9
B12—B8—H8115.3 (12)C214—C215—H215119.7
B12—B8—B959.39 (14)C216—C215—C214120.5 (2)
B4—B9—B561.26 (14)C216—C215—H215119.7
B4—B9—B861.54 (14)C215—C216—H216120.1
B4—B9—H9119.7 (14)C215—C216—C217119.9 (2)
B4—B9—B10109.66 (17)C217—C216—H216120.1
B4—B9—B12108.93 (18)C216—C217—H217120.1
B5—B9—B8110.46 (17)C218—C217—C216119.8 (2)
B5—B9—H9120.0 (13)C218—C217—H217120.1
B8—B9—H9120.8 (14)C213—C218—H218119.7
B10—B9—B559.66 (15)C217—C218—C213120.5 (2)
B10—B9—B8109.89 (18)C217—C218—H218119.7
B10—B9—H9120.9 (14)
P1—C101—C102—C103173.70 (17)B5—B9—B12—B8103.83 (18)
P1—C101—C106—C105172.80 (18)B5—B9—B12—B1037.42 (17)
P1—C107—C108—C109169.21 (18)B5—B9—B12—B110.1 (2)
P1—C107—C112—C111169.17 (17)B5—B10—B11—C24.2 (2)
P1—C113—C114—C115175.69 (18)B5—B10—B11—B637.13 (17)
P1—C113—C118—C117176.25 (17)B5—B10—B11—B764.9 (2)
C1—C2—B6—B535.74 (15)B5—B10—B11—B12100.99 (19)
C1—C2—B6—B1097.93 (18)B5—B10—B12—B763.2 (2)
C1—C2—B6—B11139.34 (17)B5—B10—B12—B82.3 (2)
C1—C2—B7—Rh352.97 (14)B5—B10—B12—B937.69 (17)
C1—C2—B7—B81.2 (2)B5—B10—B12—B11100.28 (19)
C1—C2—B7—B11104.41 (19)B6—C1—C2—Rh3162.30 (13)
C1—C2—B7—B1263.6 (2)B6—C1—C2—B7108.31 (19)
C1—C2—B11—B638.29 (17)B6—C1—C2—B1138.44 (17)
C1—C2—B11—B7105.09 (18)B6—C1—B4—Rh3122.50 (16)
C1—C2—B11—B103.0 (2)B6—C1—B4—B535.51 (18)
C1—C2—B11—B1265.1 (2)B6—C1—B4—B867.0 (2)
C1—B4—B5—B633.30 (16)B6—C1—B4—B94.9 (2)
C1—B4—B5—B9133.12 (19)B6—C1—B5—B4143.38 (18)
C1—B4—B5—B1097.17 (19)B6—C1—B5—B9103.37 (19)
C1—B4—B8—Rh355.04 (12)B6—C1—B5—B1041.11 (16)
C1—B4—B8—B71.3 (2)B6—C2—B7—Rh3121.46 (17)
C1—B4—B8—B996.97 (18)B6—C2—B7—B867.3 (2)
C1—B4—B8—B1259.78 (19)B6—C2—B7—B1135.92 (18)
C1—B4—B9—B539.18 (16)B6—C2—B7—B124.9 (2)
C1—B4—B9—B899.49 (17)B6—C2—B11—B7143.38 (18)
C1—B4—B9—B103.1 (2)B6—C2—B11—B1041.29 (16)
C1—B4—B9—B1261.2 (2)B6—C2—B11—B12103.39 (19)
C1—B5—B6—C234.99 (15)B6—B5—B9—B4102.47 (19)
C1—B5—B6—B10132.95 (18)B6—B5—B9—B864.2 (2)
C1—B5—B6—B1195.18 (18)B6—B5—B9—B1037.50 (17)
C1—B5—B9—B439.92 (16)B6—B5—B9—B120.2 (2)
C1—B5—B9—B81.6 (2)B6—B5—B10—B9138.12 (19)
C1—B5—B9—B10100.05 (19)B6—B5—B10—B1137.15 (17)
C1—B5—B9—B1262.4 (2)B6—B5—B10—B12100.58 (19)
C1—B5—B10—B641.12 (16)B6—B10—B11—C241.36 (16)
C1—B5—B10—B997.00 (19)B6—B10—B11—B7102.03 (18)
C1—B5—B10—B114.0 (2)B6—B10—B11—B12138.12 (18)
C1—B5—B10—B1259.5 (2)B6—B10—B12—B70.1 (2)
C1—B6—B10—B539.83 (16)B6—B10—B12—B865.3 (2)
C1—B6—B10—B92.3 (2)B6—B10—B12—B9100.70 (19)
C1—B6—B10—B1198.33 (18)B6—B10—B12—B1137.27 (17)
C1—B6—B10—B1260.9 (2)B6—B11—B12—B7101.78 (19)
C1—B6—B11—C234.04 (15)B6—B11—B12—B864.4 (2)
C1—B6—B11—B71.7 (2)B6—B11—B12—B90.1 (2)
C1—B6—B11—B1098.31 (18)B6—B11—B12—B1037.32 (17)
C1—B6—B11—B1260.8 (2)B7—C2—B6—C1102.76 (19)
P2—C201—C202—C203177.24 (18)B7—C2—B6—B567.0 (2)
P2—C201—C206—C205176.63 (17)B7—C2—B6—B104.8 (2)
P2—C207—C208—C209177.74 (18)B7—C2—B6—B1136.58 (18)
P2—C207—C212—C211178.36 (17)B7—C2—B11—B6143.38 (18)
P2—C213—C214—C215176.81 (18)B7—C2—B11—B10102.08 (18)
P2—C213—C218—C217178.32 (19)B7—C2—B11—B1239.99 (16)
C2—C1—B4—Rh354.84 (14)B7—B8—B9—B499.89 (17)
C2—C1—B4—B5103.16 (19)B7—B8—B9—B561.7 (2)
C2—C1—B4—B80.6 (2)B7—B8—B9—B102.3 (2)
C2—C1—B4—B962.8 (2)B7—B8—B9—B1237.60 (15)
C2—C1—B5—B4104.48 (18)B7—B8—B12—B9136.35 (18)
C2—C1—B5—B638.90 (17)B7—B8—B12—B10101.22 (19)
C2—C1—B5—B964.5 (2)B7—B8—B12—B1137.14 (17)
C2—C1—B5—B102.2 (2)B7—B11—B12—B837.40 (17)
C2—C1—B6—B5138.05 (18)B7—B11—B12—B9101.70 (19)
C2—C1—B6—B1097.14 (18)B7—B11—B12—B10139.10 (19)
C2—C1—B6—B1134.62 (15)B8—B4—B5—C196.01 (18)
C2—B6—B10—B598.14 (18)B8—B4—B5—B662.7 (2)
C2—B6—B10—B960.7 (2)B8—B4—B5—B937.11 (16)
C2—B6—B10—B1140.02 (16)B8—B4—B5—B101.2 (2)
C2—B6—B10—B122.6 (2)B8—B4—B9—B5138.67 (18)
C2—B6—B11—B732.38 (16)B8—B4—B9—B10102.5 (2)
C2—B6—B11—B10132.35 (18)B8—B4—B9—B1238.28 (16)
C2—B6—B11—B1294.87 (19)B8—B7—B11—C296.47 (18)
C2—B7—B8—Rh354.39 (13)B8—B7—B11—B663.4 (2)
C2—B7—B8—B41.5 (2)B8—B7—B11—B100.0 (2)
C2—B7—B8—B959.3 (2)B8—B7—B11—B1236.57 (16)
C2—B7—B8—B1297.31 (18)B8—B7—B12—B939.29 (17)
C2—B7—B11—B633.09 (16)B8—B7—B12—B10102.84 (19)
C2—B7—B11—B1096.43 (19)B8—B7—B12—B11139.54 (18)
C2—B7—B11—B12133.03 (19)B8—B9—B10—B5102.66 (19)
C2—B7—B12—B899.98 (17)B8—B9—B10—B665.4 (2)
C2—B7—B12—B960.7 (2)B8—B9—B10—B112.3 (2)
C2—B7—B12—B102.9 (2)B8—B9—B10—B1235.25 (16)
C2—B7—B12—B1139.57 (16)B8—B9—B12—B739.68 (16)
C2—B11—B12—B739.55 (16)B8—B9—B12—B10141.25 (17)
C2—B11—B12—B82.2 (2)B8—B9—B12—B11103.90 (18)
C2—B11—B12—B962.1 (2)B9—B4—B5—C1133.12 (19)
C2—B11—B12—B1099.55 (19)B9—B4—B5—B699.8 (2)
Rh3—P1—C101—C10276.38 (17)B9—B4—B5—B1035.95 (17)
Rh3—P1—C101—C10697.27 (18)B9—B4—B8—Rh3152.01 (15)
Rh3—P1—C107—C108139.30 (16)B9—B4—B8—B798.26 (18)
Rh3—P1—C107—C11251.64 (19)B9—B4—B8—B1237.19 (16)
Rh3—P1—C113—C11417.7 (2)B9—B5—B6—C195.42 (19)
Rh3—P1—C113—C118167.90 (15)B9—B5—B6—C260.4 (2)
Rh3—C1—C2—B6162.30 (13)B9—B5—B6—B1037.53 (17)
Rh3—C1—C2—B753.99 (14)B9—B5—B6—B110.2 (2)
Rh3—C1—C2—B11123.85 (16)B9—B5—B10—B6138.12 (19)
Rh3—C1—B4—B5158.01 (15)B9—B5—B10—B11100.96 (19)
Rh3—C1—B4—B855.45 (12)B9—B5—B10—B1237.54 (17)
Rh3—C1—B4—B9117.62 (15)B9—B8—B12—B7136.35 (18)
Rh3—C1—B5—B425.90 (17)B9—B8—B12—B1035.13 (17)
Rh3—C1—B5—B6117.49 (19)B9—B8—B12—B1199.2 (2)
Rh3—C1—B5—B914.1 (2)B9—B10—B11—C259.3 (2)
Rh3—C1—B5—B1076.4 (2)B9—B10—B11—B6100.64 (19)
Rh3—C1—B6—C220.98 (16)B9—B10—B11—B71.4 (2)
Rh3—C1—B6—B5117.08 (19)B9—B10—B11—B1237.48 (16)
Rh3—C1—B6—B1076.2 (2)B9—B10—B12—B7100.84 (19)
Rh3—C1—B6—B1113.6 (2)B9—B10—B12—B835.39 (16)
Rh3—P2—C201—C20298.22 (17)B9—B10—B12—B11137.97 (18)
Rh3—P2—C201—C20682.64 (19)B10—B5—B6—C1132.95 (18)
Rh3—P2—C207—C208114.23 (18)B10—B5—B6—C297.96 (18)
Rh3—P2—C207—C21262.25 (18)B10—B5—B6—B1137.77 (17)
Rh3—P2—C213—C2144.2 (2)B10—B5—B9—B4139.97 (19)
Rh3—P2—C213—C218177.81 (15)B10—B5—B9—B8101.7 (2)
Rh3—C2—B6—C120.41 (15)B10—B5—B9—B1237.69 (17)
Rh3—C2—B6—B515.3 (2)B10—B6—B11—C2132.35 (18)
Rh3—C2—B6—B1077.5 (2)B10—B6—B11—B799.97 (19)
Rh3—C2—B6—B11118.93 (18)B10—B6—B11—B1237.48 (17)
Rh3—C2—B7—B854.18 (13)B10—B9—B12—B7101.57 (18)
Rh3—C2—B7—B11157.38 (15)B10—B9—B12—B8141.25 (17)
Rh3—C2—B7—B12116.55 (15)B10—B9—B12—B1137.35 (17)
Rh3—C2—B11—B6116.1 (2)B10—B11—B12—B7139.10 (18)
Rh3—C2—B11—B727.30 (18)B10—B11—B12—B8101.7 (2)
Rh3—C2—B11—B1074.8 (2)B10—B11—B12—B937.40 (17)
Rh3—C2—B11—B1212.7 (3)B11—C2—B6—C1139.34 (17)
Rh3—B4—B5—C123.15 (15)B11—C2—B6—B5103.60 (18)
Rh3—B4—B5—B610.2 (2)B11—C2—B6—B1041.41 (16)
Rh3—B4—B5—B9109.97 (18)B11—C2—B7—Rh3157.38 (15)
Rh3—B4—B5—B1074.0 (2)B11—C2—B7—B8103.20 (18)
Rh3—B4—B8—B753.75 (13)B11—C2—B7—B1240.82 (17)
Rh3—B4—B8—B9152.01 (15)B11—B6—B10—B5138.16 (19)
Rh3—B4—B8—B12114.82 (15)B11—B6—B10—B9100.7 (2)
Rh3—B4—B9—B5108.74 (19)B11—B6—B10—B1237.44 (17)
Rh3—B4—B9—B829.92 (16)B11—B7—B8—Rh3115.09 (15)
Rh3—B4—B9—B1072.6 (2)B11—B7—B8—B462.2 (2)
Rh3—B4—B9—B128.4 (2)B11—B7—B8—B91.4 (2)
Rh3—B7—B8—B452.88 (13)B11—B7—B8—B1236.62 (16)
Rh3—B7—B8—B9113.68 (15)B11—B7—B12—B8139.54 (18)
Rh3—B7—B8—B12151.71 (15)B11—B7—B12—B9100.26 (19)
Rh3—B7—B11—C223.97 (15)B11—B7—B12—B1036.71 (17)
Rh3—B7—B11—B69.1 (2)B11—B10—B12—B737.13 (17)
Rh3—B7—B11—B1072.5 (2)B11—B10—B12—B8102.58 (19)
Rh3—B7—B11—B12109.07 (18)B11—B10—B12—B9137.97 (18)
Rh3—B7—B12—B829.81 (15)B12—B7—B8—Rh3151.71 (15)
Rh3—B7—B12—B99.5 (2)B12—B7—B8—B498.82 (18)
Rh3—B7—B12—B1073.0 (2)B12—B7—B8—B938.03 (16)
Rh3—B7—B12—B11109.73 (18)B12—B7—B11—C2133.03 (19)
Rh3—B8—B9—B428.67 (15)B12—B7—B11—B699.9 (2)
Rh3—B8—B9—B59.5 (2)B12—B7—B11—B1036.60 (17)
Rh3—B8—B9—B1073.5 (2)B12—B8—B9—B4137.48 (17)
Rh3—B8—B9—B12108.82 (17)B12—B8—B9—B599.3 (2)
Rh3—B8—B12—B729.74 (16)B12—B8—B9—B1035.30 (16)
Rh3—B8—B12—B9106.61 (17)B12—B9—B10—B5137.90 (18)
Rh3—B8—B12—B1071.5 (2)B12—B9—B10—B6100.66 (19)
Rh3—B8—B12—B117.4 (2)B12—B9—B10—B1137.58 (16)
B4—C1—C2—Rh354.37 (14)B12—B10—B11—C296.76 (18)
B4—C1—C2—B6107.92 (18)B12—B10—B11—B6138.12 (18)
B4—C1—C2—B70.4 (2)B12—B10—B11—B736.09 (16)
B4—C1—C2—B1169.5 (2)O32—N1—O31—Rh3158.66 (15)
B4—C1—B5—B6143.38 (18)O33—N1—O31—Rh322.5 (3)
B4—C1—B5—B940.01 (17)C101—P1—C107—C10812.4 (2)
B4—C1—B5—B10102.28 (19)C101—P1—C107—C112178.56 (17)
B4—C1—B6—C2101.79 (19)C101—P1—C113—C114139.44 (18)
B4—C1—B6—B536.26 (18)C101—P1—C113—C11846.1 (2)
B4—C1—B6—B104.7 (2)C101—C102—C103—C1040.2 (3)
B4—C1—B6—B1167.2 (2)C102—C101—C106—C1050.7 (3)
B4—B5—B6—C132.79 (16)C102—C103—C104—C1050.1 (4)
B4—B5—B6—C22.2 (2)C103—C104—C105—C1060.4 (4)
B4—B5—B6—B10100.2 (2)C104—C105—C106—C1010.8 (4)
B4—B5—B6—B1162.4 (2)C106—C101—C102—C1030.2 (3)
B4—B5—B9—B838.30 (17)C107—P1—C101—C10258.69 (19)
B4—B5—B9—B10139.97 (19)C107—P1—C101—C106127.66 (19)
B4—B5—B9—B12102.28 (19)C107—P1—C113—C114113.92 (19)
B4—B5—B10—B6102.68 (19)C107—P1—C113—C11860.53 (19)
B4—B5—B10—B935.44 (17)C107—C108—C109—C1100.5 (3)
B4—B5—B10—B1165.5 (2)C108—C107—C112—C1110.3 (3)
B4—B5—B10—B122.1 (2)C108—C109—C110—C1110.2 (4)
B4—B8—B9—B538.17 (17)C109—C110—C111—C1120.4 (4)
B4—B8—B9—B10102.18 (19)C110—C111—C112—C1070.6 (3)
B4—B8—B9—B12137.48 (17)C112—C107—C108—C1090.3 (3)
B4—B8—B12—B799.67 (17)C113—P1—C101—C102160.35 (17)
B4—B8—B12—B936.68 (15)C113—P1—C101—C10626.0 (2)
B4—B8—B12—B101.5 (2)C113—P1—C107—C10897.11 (19)
B4—B8—B12—B1162.5 (2)C113—P1—C107—C11271.94 (18)
B4—B9—B10—B536.79 (17)C113—C114—C115—C1160.2 (3)
B4—B9—B10—B60.5 (2)C114—C113—C118—C1171.7 (3)
B4—B9—B10—B1163.5 (2)C114—C115—C116—C1171.3 (4)
B4—B9—B10—B12101.11 (19)C115—C116—C117—C1180.9 (3)
B4—B9—B12—B70.8 (2)C116—C117—C118—C1130.6 (3)
B4—B9—B12—B838.91 (16)C118—C113—C114—C1151.3 (3)
B4—B9—B12—B10102.34 (19)C201—P2—C207—C208118.55 (19)
B4—B9—B12—B1165.0 (2)C201—P2—C207—C21264.97 (19)
B5—C1—C2—Rh3123.32 (15)C201—P2—C213—C214126.9 (2)
B5—C1—C2—B638.98 (17)C201—P2—C213—C21851.0 (2)
B5—C1—C2—B769.3 (2)C201—C202—C203—C2040.3 (4)
B5—C1—C2—B110.5 (2)C202—C201—C206—C2052.5 (3)
B5—C1—B4—Rh3158.01 (15)C202—C203—C204—C2052.0 (4)
B5—C1—B4—B8102.55 (18)C203—C204—C205—C2061.4 (4)
B5—C1—B4—B940.38 (17)C204—C205—C206—C2010.9 (4)
B5—C1—B6—C2138.05 (18)C206—C201—C202—C2031.9 (3)
B5—C1—B6—B1040.91 (17)C207—P2—C201—C202141.30 (17)
B5—C1—B6—B11103.44 (19)C207—P2—C201—C20637.8 (2)
B5—B4—B8—Rh3115.06 (16)C207—P2—C213—C214124.14 (19)
B5—B4—B8—B761.3 (2)C207—P2—C213—C21857.9 (2)
B5—B4—B8—B936.95 (16)C207—C208—C209—C2100.3 (4)
B5—B4—B8—B120.2 (2)C208—C207—C212—C2111.8 (3)
B5—B4—B9—B8138.67 (18)C208—C209—C210—C2111.1 (4)
B5—B4—B9—B1036.13 (18)C209—C210—C211—C2120.5 (4)
B5—B4—B9—B12100.39 (19)C210—C211—C212—C2071.0 (3)
B5—B6—B10—B937.49 (18)C212—C207—C208—C2091.2 (3)
B5—B6—B10—B11138.16 (19)C213—P2—C201—C20234.57 (19)
B5—B6—B10—B12100.7 (2)C213—P2—C201—C206144.57 (19)
B5—B6—B11—C294.68 (19)C213—P2—C207—C20814.4 (2)
B5—B6—B11—B762.3 (2)C213—P2—C207—C212169.08 (18)
B5—B6—B11—B1037.67 (17)C213—C214—C215—C2161.3 (3)
B5—B6—B11—B120.2 (2)C214—C213—C218—C2170.3 (3)
B5—B9—B10—B637.25 (17)C214—C215—C216—C2170.0 (4)
B5—B9—B10—B11100.33 (19)C215—C216—C217—C2181.4 (4)
B5—B9—B10—B12137.90 (18)C216—C217—C218—C2131.6 (4)
B5—B9—B12—B764.2 (2)C218—C213—C214—C2151.1 (3)
Vertex-to-centroid distances (VCD, Å) and vertex-to-H distances (BHD, Å) in the prostructure and the final structure of (I) top
VertexVCD analysisBHD analysis
ProstructureFinal structureProstructureFinal structure
11.555 (4)1.571 (3)0.44 (4)0.93 (2)
21.548 (3)1.556 (2)0.22 (4)0.89 (3)
31.717 (3)1.717 (2)1.05 (3)1.07 (3)
41.694 (3)1.695 (3)1.05 (3)1.10 (3)
51.722 (3)1.723 (3)1.08 (3)1.11 (2)
61.701 (3)1.701 (3)1.02 (3)1.02 (2)
71.735 (3)1.736 (3)1.15 (3)1.17 (2)
81.650 (3)1.654 (2)1.10 (3)1.10 (2)
91.683 (3)1.686 (3)1.02 (3)1.02 (3)
101.699 (3)1.700 (3)1.08 (3)1.10 (3)
111.654 (4)1.658 (4)1.12 (4)1.15 (2)
Literature 3-L-3,3-L'2-3,1,2-closo-MC2B9H11 species in which ligand L' has a greater trans influence than ligand L. The parameter θ (°) describes the exopolyhedral ligand orientation as described in the text. top
CSD refcodeMLL'θReference
CEHCEXRuaClPPh3-12.9 (3)Chizhevsky et al. (1999)
NITWOCRhClPPh3-12.4 (3)Chizhevsky et al. (1997)
TELCIWRhClPPh312.6 (4)Ferguson et al. (1996a)
TUBLUXCoClPPh2Me-15.5 (3)Hendershot et al. (1996)
ZOTVOTRhClPPh2Me-9.1 (2)Ferguson et al. (1996b)
ZOTVINRhbNCMePPh2Me-8.1 (2)Ferguson et al. (1996bb)
HIZQIQRuPhCCMecCO5.5 (2)Jeffery et al. (1998)
MEFNEQRuNCMeCO-6.2 (2)Ellis et al. (2000)
ZEPYICRuaClCO9.6 (3)Anderson et al. (1995)
Notes: (a) in these compounds, the metallacarborane is monoanionic; (b) in this compound, the metallacarborane is monocationic; (c) the coordinates of L were taken as the mid-point of the CC bond.
Selected geometric parameters (Å, °). top
Rh3—C12.184 (2)Rh3—P12.3789 (6)
Rh3—C22.208 (2)Rh3—P22.3931 (6)
Rh3—B72.256 (2)Rh3—O312.1982 (14)
Rh3—B82.243 (2)O31—N11.265 (2)
Rh3—B42.219 (2)N1—O321.231 (2)
C1—C21.639 (3)N1—O331.234 (3)
P1—Rh3—P299.23 (2)O31—N1—O32117.74 (19)
P1—Rh3—O3185.43 (4)O31—N1—O33119.99 (19)
P2—Rh3—O3178.95 (5)O32—N1—O33122.3 (2)
Rh3—O31—N1130.71 (14)

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