data_c2c 

_database_code_CSD	153202


_journal_coden_Cambridge      182

_publ_requested_journal       'Chemical Communications'

loop_
_publ_author_name
'John D. Gorden'
'Charles L. B. Macdonald'
'Alan H. Cowley' 

_publ_contact_author_name     	'Dr Alan H. Cowley'  
_publ_contact_author_address 
;
Dr Alan H. Cowley
Department of Chemistry and Biochemistry
The University of Texas at Austin
78712
UNITED STATES OF AMERICA
;


_audit_creation_method            SHELXL 
_chemical_name_systematic        ?

_chemical_name_common             
;
pentamethylcyclopentadienyl aluminum tris(pentafluorophenyl)aluminum adduct
; 
_chemical_formula_moiety          ' ?'
_chemical_formula_structural      '[C10 H15 Al][C18 Al F15]' 
_chemical_formula_analytical      'C28 H15 Al2 F15' 
_chemical_formula_sum             'C28 H15 Al2 F15' 
_chemical_formula_weight          690.36 
_chemical_melting_point           '131-133 C' 
_chemical_compound_source         'selfmade' 

loop_ 
_atom_type_symbol 
_atom_type_description 
_atom_type_scat_dispersion_real 
_atom_type_scat_dispersion_imag 
_atom_type_scat_source 
'C'  'C'   0.0033   0.0016 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'H'  'H'   0.0000   0.0000 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'F'  'F'   0.0171   0.0103 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Al'  'Al'   0.0645   0.0514 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    C2/c 

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'-x, y, -z+1/2' 
'x+1/2, y+1/2, z' 
'-x+1/2, y+1/2, -z+1/2' 
'-x, -y, -z' 
'x, -y, z-1/2' 
'-x+1/2, -y+1/2, -z' 
'x+1/2, -y+1/2, z-1/2' 

_cell_length_a                    30.635(6) 
_cell_length_b                    9.814(2) 
_cell_length_c                    20.236(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  111.10(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      5676.4(20) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     133(2) 
_cell_measurement_reflns_used     n/a 
_cell_measurement_theta_min       n/a 
_cell_measurement_theta_max       n/a 

_exptl_crystal_description        block 
_exptl_crystal_colour             'pale yellow' 
_exptl_crystal_size_max           0.2 
_exptl_crystal_size_mid           0.1 
_exptl_crystal_size_min           0.1 
_exptl_crystal_density_meas       n/a 
_exptl_crystal_density_diffrn     1.616 
_exptl_crystal_density_method     n/a 
_exptl_crystal_F_000              2752 
_exptl_absorpt_coefficient_mu     0.220 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   n/a 
_exptl_absorpt_correction_T_max   n/a 

_exptl_special_details 
; 
'crystallized at 25C from its oil' 
; 

_diffrn_ambient_temperature       133(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'Siemens P4' 
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          n/a 
_diffrn_standards_interval_count  n/a 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         n/a 
_diffrn_reflns_number             8481 
_diffrn_reflns_av_R_equivalents   0.0868 
_diffrn_reflns_av_sigmaI/netI     0.0944 
_diffrn_reflns_limit_h_min        -28 
_diffrn_reflns_limit_h_max        33 
_diffrn_reflns_limit_k_min        -11 
_diffrn_reflns_limit_k_max        11 
_diffrn_reflns_limit_l_min        -22 
_diffrn_reflns_limit_l_max        21 
_diffrn_reflns_theta_min          2.98 
_diffrn_reflns_theta_max          25.10 
_reflns_number_total              3815 
_reflns_number_observed           2593 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        'Collect software, Nonius B.V. 1998' 
_computing_cell_refinement        DENZO-SMN 
_computing_data_reduction         DENZO-SMN 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'SHELXTL-Plus, XP, Siemens, 1994' 
_computing_publication_material   'SHELXTL-Plus, XCIF, Siemens, 1994' 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
or flagged by the user for potential systematic errors.  Weighted R-factors 
wR and all goodnesses of fit S are based on F^2^, conventional R-factors R 
are based on F, with F set to zero for negative F^2^. The observed criterion 
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ are statistically about twice as large as those based on F, and R- 
factors based on ALL data will be even larger. 
; 

_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          3815 
_refine_ls_number_parameters      411 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1248 
_refine_ls_R_factor_obs           0.0767 
_refine_ls_wR_factor_all          0.2316 
_refine_ls_wR_factor_obs          0.1944 
_refine_ls_goodness_of_fit_all    1.456 
_refine_ls_goodness_of_fit_obs    1.518 
_refine_ls_restrained_S_all       1.456 
_refine_ls_restrained_S_obs       1.518 
_refine_ls_shift/esd_max          -0.001 
_refine_ls_shift/esd_mean         0.000 

loop_ 
_atom_site_label 
_atom_site_type_symbol 
_atom_site_fract_x 
_atom_site_fract_y 
_atom_site_fract_z 
_atom_site_U_iso_or_equiv 
_atom_site_thermal_displace_type 
_atom_site_occupancy 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_group 
Al2 Al 0.14056(7) 0.5198(2) 0.44711(9) 0.0317(5) Uani 1 d . . 
Al1 Al 0.13896(7) 0.5777(2) 0.32133(9) 0.0350(6) Uani 1 d . . 
F26 F 0.06069(13) 0.7235(4) 0.3872(2) 0.0464(10) Uani 1 d . . 
F36 F 0.07883(13) 0.3100(4) 0.3251(2) 0.0459(11) Uani 1 d . . 
F22 F 0.19917(13) 0.6972(4) 0.5910(2) 0.0456(11) Uani 1 d . . 
F34 F -0.03019(14) 0.1620(5) 0.4224(2) 0.0562(12) Uani 1 d . . 
F42 F 0.24241(13) 0.6143(5) 0.4758(2) 0.0532(12) Uani 1 d . . 
F46 F 0.16909(15) 0.2443(5) 0.5438(2) 0.0622(13) Uani 1 d . . 
F25 F 0.03802(14) 0.9549(5) 0.4359(2) 0.0553(11) Uani 1 d . . 
F45 F 0.2535(2) 0.1571(5) 0.6314(2) 0.0657(13) Uani 1 d . . 
F24 F 0.09575(15) 1.0634(5) 0.5604(2) 0.0581(12) Uani 1 d . . 
F23 F 0.17647(15) 0.9329(5) 0.6363(2) 0.0576(12) Uani 1 d . . 
C36 C 0.0623(2) 0.3162(7) 0.3790(3) 0.033(2) Uani 1 d . . 
F33 F 0.0119(2) 0.3192(5) 0.5392(3) 0.085(2) Uani 1 d . . 
C26 C 0.0908(2) 0.7729(7) 0.4494(3) 0.036(2) Uani 1 d . . 
F35 F 0.00439(15) 0.1574(5) 0.3173(2) 0.0636(14) Uani 1 d . . 
C41 C 0.2017(2) 0.4373(7) 0.5065(3) 0.031(2) Uani 1 d . . 
F32 F 0.0875(2) 0.4695(5) 0.5493(2) 0.086(2) Uani 1 d . . 
F43 F 0.32628(14) 0.5266(6) 0.5666(3) 0.0716(15) Uani 1 d . . 
C34 C 0.0075(2) 0.2402(7) 0.4277(3) 0.034(2) Uani 1 d . . 
C45 C 0.2495(3) 0.2720(8) 0.5927(3) 0.041(2) Uani 1 d . . 
C21 C 0.1310(2) 0.6978(7) 0.4861(3) 0.0281(15) Uani 1 d . . 
F44 F 0.33099(15) 0.2959(5) 0.6428(2) 0.0665(14) Uani 1 d . . 
C35 C 0.0250(2) 0.2382(8) 0.3737(3) 0.037(2) Uani 1 d . . 
C42 C 0.2433(3) 0.4992(7) 0.5144(3) 0.039(2) Uani 1 d . . 
C22 C 0.1587(2) 0.7597(7) 0.5487(3) 0.037(2) Uani 1 d . . 
C15 C 0.0871(2) 0.5879(8) 0.2136(3) 0.035(2) Uani 1 d . . 
C32 C 0.0667(3) 0.3925(8) 0.4899(4) 0.050(2) Uani 1 d . . 
C31 C 0.0856(2) 0.4007(7) 0.4368(3) 0.033(2) Uani 1 d . . 
C44 C 0.2886(2) 0.3399(8) 0.5975(3) 0.041(2) Uani 1 d . . 
C14 C 0.1038(3) 0.7213(8) 0.2350(3) 0.042(2) Uani 1 d . . 
C25 C 0.0783(2) 0.8925(7) 0.4729(4) 0.039(2) Uani 1 d . . 
C46 C 0.2070(2) 0.3204(8) 0.5475(3) 0.039(2) Uani 1 d . . 
C11 C 0.1255(2) 0.5034(8) 0.2147(3) 0.040(2) Uani 1 d . . 
C13 C 0.1538(3) 0.7193(9) 0.2500(3) 0.049(2) Uani 1 d . . 
C43 C 0.2877(2) 0.4577(8) 0.5600(4) 0.043(2) Uani 1 d . . 
C24 C 0.1072(3) 0.9498(7) 0.5354(4) 0.039(2) Uani 1 d . . 
C33 C 0.0292(3) 0.3190(8) 0.4860(4) 0.049(2) Uani 1 d . . 
C12 C 0.1658(3) 0.5869(10) 0.2362(4) 0.050(2) Uani 1 d . . 
C23 C 0.1483(3) 0.8786(8) 0.5744(4) 0.045(2) Uani 1 d . . 
C141 C 0.0749(3) 0.8447(9) 0.2365(4) 0.066(2) Uani 1 d . . 
H14A H 0.0676(17) 0.8943(33) 0.1930(13) 0.099 Uiso 1 calc R . 
H14B H 0.0922(8) 0.9023(29) 0.2755(18) 0.099 Uiso 1 calc R . 
H14C H 0.0464(9) 0.8162(9) 0.2421(31) 0.099 Uiso 1 calc R . 
C121 C 0.2138(3) 0.5436(14) 0.2386(4) 0.086(4) Uani 1 d . . 
H12A H 0.2154(10) 0.5528(84) 0.1923(11) 0.129 Uiso 1 calc R . 
H12B H 0.2192(11) 0.4503(24) 0.2536(41) 0.129 Uiso 1 calc R . 
H12C H 0.2372(4) 0.6003(50) 0.2715(33) 0.129 Uiso 1 calc R . 
C151 C 0.0374(2) 0.5398(9) 0.1927(3) 0.050(2) Uani 1 d . . 
H15A H 0.0243(6) 0.5276(53) 0.1423(5) 0.074 Uiso 1 calc R . 
H15B H 0.0195(5) 0.6063(24) 0.2068(25) 0.074 Uiso 1 calc R . 
H15C H 0.0368(3) 0.4547(26) 0.2157(22) 0.074 Uiso 1 calc R . 
C131 C 0.1852(3) 0.8388(11) 0.2677(4) 0.079(3) Uani 1 d . . 
H13A H 0.1914(20) 0.8669(44) 0.2265(10) 0.118 Uiso 1 calc R . 
H13B H 0.2141(9) 0.8149(21) 0.3048(25) 0.118 Uiso 1 calc R . 
H13C H 0.1706(10) 0.9121(23) 0.2834(33) 0.118 Uiso 1 calc R . 
C111 C 0.1201(3) 0.3553(9) 0.1927(3) 0.066(3) Uani 1 d . . 
H11A H 0.1068(20) 0.3493(9) 0.1420(4) 0.099 Uiso 1 calc R . 
H11B H 0.1000(16) 0.3106(17) 0.2128(26) 0.099 Uiso 1 calc R . 
H11C H 0.1503(4) 0.3121(17) 0.2093(27) 0.099 Uiso 1 calc R . 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
Al2 0.0382(11) 0.0362(13) 0.0233(10) 0.0008(8) 0.0143(8) -0.0025(9) 
Al1 0.0377(11) 0.0463(14) 0.0230(10) 0.0024(9) 0.0134(8) -0.0056(10) 
F26 0.045(2) 0.051(3) 0.040(2) 0.000(2) 0.011(2) -0.003(2) 
F36 0.055(3) 0.063(3) 0.028(2) -0.011(2) 0.027(2) -0.020(2) 
F22 0.047(2) 0.054(3) 0.031(2) -0.004(2) 0.008(2) 0.005(2) 
F34 0.044(2) 0.066(3) 0.071(3) 0.010(2) 0.036(2) -0.005(2) 
F42 0.045(2) 0.057(3) 0.060(3) 0.022(2) 0.022(2) -0.003(2) 
F46 0.054(3) 0.063(3) 0.068(3) 0.031(2) 0.021(2) -0.006(2) 
F25 0.049(3) 0.046(3) 0.070(3) 0.010(2) 0.020(2) 0.013(2) 
F45 0.077(3) 0.057(3) 0.064(3) 0.033(2) 0.025(2) 0.012(3) 
F24 0.067(3) 0.038(3) 0.083(3) -0.009(2) 0.043(2) -0.001(2) 
F23 0.066(3) 0.054(3) 0.051(2) -0.023(2) 0.019(2) -0.007(2) 
C36 0.041(4) 0.035(4) 0.029(3) 0.007(3) 0.022(3) 0.004(3) 
F33 0.138(5) 0.073(4) 0.091(4) -0.033(3) 0.100(4) -0.042(3) 
C26 0.041(4) 0.038(5) 0.030(3) -0.003(3) 0.016(3) -0.011(3) 
F35 0.072(3) 0.085(4) 0.033(2) -0.011(2) 0.019(2) -0.041(3) 
C41 0.035(4) 0.035(4) 0.026(3) -0.004(3) 0.015(3) -0.004(3) 
F32 0.155(5) 0.077(4) 0.056(3) -0.039(3) 0.073(3) -0.067(4) 
F43 0.038(3) 0.086(4) 0.093(3) 0.024(3) 0.027(2) -0.003(3) 
C34 0.024(4) 0.035(4) 0.045(4) 0.005(3) 0.015(3) -0.007(3) 
C45 0.061(5) 0.039(5) 0.027(3) 0.012(3) 0.021(3) 0.010(4) 
C21 0.037(4) 0.024(4) 0.029(3) 0.003(3) 0.018(3) -0.003(3) 
F44 0.051(3) 0.091(4) 0.055(3) 0.022(2) 0.017(2) 0.024(3) 
C35 0.043(4) 0.043(5) 0.026(3) 0.000(3) 0.014(3) -0.008(4) 
C42 0.054(5) 0.032(4) 0.040(4) 0.005(3) 0.027(3) 0.011(4) 
C22 0.046(4) 0.034(4) 0.038(4) -0.006(3) 0.024(3) -0.003(3) 
C15 0.034(4) 0.052(5) 0.018(3) 0.007(3) 0.008(3) 0.000(3) 
C32 0.071(5) 0.046(5) 0.045(4) -0.017(4) 0.036(4) -0.020(4) 
C31 0.043(4) 0.037(4) 0.017(3) 0.002(3) 0.008(3) 0.002(3) 
C44 0.033(4) 0.058(5) 0.031(4) 0.004(3) 0.010(3) 0.022(4) 
C14 0.055(5) 0.039(5) 0.041(4) 0.010(3) 0.029(3) 0.001(4) 
C25 0.035(4) 0.033(5) 0.058(5) 0.014(4) 0.028(3) 0.009(3) 
C46 0.051(5) 0.042(5) 0.030(4) 0.001(3) 0.021(3) 0.001(4) 
C11 0.050(4) 0.050(5) 0.023(3) 0.010(3) 0.019(3) 0.011(4) 
C13 0.055(5) 0.067(6) 0.026(4) 0.009(4) 0.015(3) -0.016(4) 
C43 0.038(4) 0.046(5) 0.052(4) 0.008(4) 0.023(3) 0.008(4) 
C24 0.051(5) 0.018(4) 0.061(5) -0.009(3) 0.034(4) -0.006(3) 
C33 0.066(5) 0.050(5) 0.053(5) -0.003(4) 0.047(4) -0.009(4) 
C12 0.051(5) 0.073(7) 0.038(4) 0.019(4) 0.031(3) 0.010(5) 
C23 0.053(5) 0.047(5) 0.044(4) -0.007(4) 0.026(4) -0.010(4) 
C141 0.090(7) 0.051(6) 0.064(5) 0.016(4) 0.036(5) 0.020(5) 
C121 0.052(5) 0.165(12) 0.055(5) 0.059(6) 0.035(4) 0.040(6) 
C151 0.034(4) 0.071(6) 0.033(4) 0.008(4) -0.002(3) -0.007(4) 
C131 0.088(7) 0.090(8) 0.039(4) 0.021(5) -0.001(4) -0.047(6) 
C111 0.109(7) 0.064(6) 0.021(4) 0.004(4) 0.019(4) 0.033(5) 

_geom_special_details 
; 
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. 
; 

loop_ 
_geom_bond_atom_site_label_1 
_geom_bond_atom_site_label_2 
_geom_bond_distance 
_geom_bond_site_symmetry_2 
_geom_bond_publ_flag 
Al2 C21 1.982(7) . ? 
Al2 C41 1.997(7) . ? 
Al2 C31 1.999(7) . ? 
Al2 Al1 2.591(2) . ? 
Al1 C12 2.162(6) . ? 
Al1 C13 2.165(7) . ? 
Al1 C11 2.172(7) . ? 
Al1 C15 2.189(6) . ? 
Al1 C14 2.200(7) . ? 
F26 C26 1.355(7) . ? 
F36 C36 1.360(6) . ? 
F22 C22 1.373(8) . ? 
F34 C34 1.359(7) . ? 
F42 C42 1.368(8) . ? 
F46 C46 1.360(8) . ? 
F25 C25 1.339(8) . ? 
F45 C45 1.354(8) . ? 
F24 C24 1.322(8) . ? 
F23 C23 1.348(8) . ? 
C36 C35 1.346(10) . ? 
C36 C31 1.401(9) . ? 
F33 C33 1.361(7) . ? 
C26 C25 1.373(10) . ? 
C26 C21 1.396(9) . ? 
F35 C35 1.344(8) . ? 
C41 C42 1.368(10) . ? 
C41 C46 1.390(10) . ? 
F32 C32 1.367(8) . ? 
F43 C43 1.327(8) . ? 
C34 C33 1.366(10) . ? 
C34 C35 1.381(9) . ? 
C45 C44 1.346(10) . ? 
C45 C46 1.378(10) . ? 
C21 C22 1.386(9) . ? 
F44 C44 1.362(7) . ? 
C42 C43 1.401(10) . ? 
C22 C23 1.361(10) . ? 
C15 C14 1.416(10) . ? 
C15 C11 1.432(10) . ? 
C15 C151 1.501(9) . ? 
C32 C33 1.333(10) . ? 
C32 C31 1.396(9) . ? 
C44 C43 1.377(10) . ? 
C14 C13 1.448(10) . ? 
C14 C141 1.508(11) . ? 
C25 C24 1.376(10) . ? 
C11 C12 1.415(11) . ? 
C11 C111 1.511(11) . ? 
C13 C12 1.406(12) . ? 
C13 C131 1.478(11) . ? 
C24 C23 1.408(11) . ? 
C12 C121 1.513(10) . ? 

loop_ 
_geom_angle_atom_site_label_1 
_geom_angle_atom_site_label_2 
_geom_angle_atom_site_label_3 
_geom_angle 
_geom_angle_site_symmetry_1 
_geom_angle_site_symmetry_3 
_geom_angle_publ_flag 
C21 Al2 C41 111.0(3) . . ? 
C21 Al2 C31 108.5(3) . . ? 
C41 Al2 C31 113.5(3) . . ? 
C21 Al2 Al1 104.1(2) . . ? 
C41 Al2 Al1 111.2(2) . . ? 
C31 Al2 Al1 108.0(2) . . ? 
C12 Al1 C13 37.9(3) . . ? 
C12 Al1 C11 38.1(3) . . ? 
C13 Al1 C11 64.1(3) . . ? 
C12 Al1 C15 63.4(3) . . ? 
C13 Al1 C15 63.8(3) . . ? 
C11 Al1 C15 38.3(3) . . ? 
C12 Al1 C14 63.8(3) . . ? 
C13 Al1 C14 38.7(3) . . ? 
C11 Al1 C14 64.1(3) . . ? 
C15 Al1 C14 37.6(3) . . ? 
C12 Al1 Al2 156.0(2) . . ? 
C13 Al1 Al2 149.4(2) . . ? 
C11 Al1 Al2 146.3(2) . . ? 
C15 Al1 Al2 137.6(2) . . ? 
C14 Al1 Al2 138.7(2) . . ? 
C35 C36 F36 117.4(6) . . ? 
C35 C36 C31 124.5(5) . . ? 
F36 C36 C31 118.1(6) . . ? 
F26 C26 C25 116.5(6) . . ? 
F26 C26 C21 118.7(6) . . ? 
C25 C26 C21 124.8(6) . . ? 
C42 C41 C46 113.2(6) . . ? 
C42 C41 Al2 121.5(5) . . ? 
C46 C41 Al2 125.1(5) . . ? 
F34 C34 C33 121.6(5) . . ? 
F34 C34 C35 119.3(6) . . ? 
C33 C34 C35 119.1(6) . . ? 
C44 C45 F45 118.5(7) . . ? 
C44 C45 C46 118.8(6) . . ? 
F45 C45 C46 122.7(7) . . ? 
C22 C21 C26 112.7(6) . . ? 
C22 C21 Al2 128.4(5) . . ? 
C26 C21 Al2 118.8(5) . . ? 
F35 C35 C36 122.0(5) . . ? 
F35 C35 C34 118.8(6) . . ? 
C36 C35 C34 119.2(6) . . ? 
F42 C42 C41 118.3(6) . . ? 
F42 C42 C43 115.6(6) . . ? 
C41 C42 C43 126.1(7) . . ? 
C23 C22 F22 115.3(6) . . ? 
C23 C22 C21 125.1(7) . . ? 
F22 C22 C21 119.5(6) . . ? 
C14 C15 C11 109.0(6) . . ? 
C14 C15 C151 126.5(7) . . ? 
C11 C15 C151 124.5(7) . . ? 
C14 C15 Al1 71.6(4) . . ? 
C11 C15 Al1 70.2(3) . . ? 
C151 C15 Al1 124.4(4) . . ? 
C33 C32 F32 118.1(6) . . ? 
C33 C32 C31 124.9(7) . . ? 
F32 C32 C31 117.0(6) . . ? 
C32 C31 C36 112.4(6) . . ? 
C32 C31 Al2 121.4(5) . . ? 
C36 C31 Al2 126.2(4) . . ? 
C45 C44 F44 120.0(7) . . ? 
C45 C44 C43 122.3(6) . . ? 
F44 C44 C43 117.6(7) . . ? 
C15 C14 C13 106.9(6) . . ? 
C15 C14 C141 126.8(7) . . ? 
C13 C14 C141 126.2(8) . . ? 
C15 C14 Al1 70.8(4) . . ? 
C13 C14 Al1 69.3(4) . . ? 
C141 C14 Al1 128.4(5) . . ? 
F25 C25 C26 120.9(7) . . ? 
F25 C25 C24 119.1(6) . . ? 
C26 C25 C24 120.0(6) . . ? 
F46 C46 C45 115.5(6) . . ? 
F46 C46 C41 120.5(6) . . ? 
C45 C46 C41 124.0(7) . . ? 
C12 C11 C15 106.9(7) . . ? 
C12 C11 C111 129.6(7) . . ? 
C15 C11 C111 123.4(7) . . ? 
C12 C11 Al1 70.6(4) . . ? 
C15 C11 Al1 71.5(4) . . ? 
C111 C11 Al1 125.3(5) . . ? 
C12 C13 C14 107.7(7) . . ? 
C12 C13 C131 125.8(8) . . ? 
C14 C13 C131 126.0(9) . . ? 
C12 C13 Al1 70.9(4) . . ? 
C14 C13 Al1 71.9(4) . . ? 
C131 C13 Al1 128.5(5) . . ? 
F43 C43 C44 122.1(6) . . ? 
F43 C43 C42 122.4(7) . . ? 
C44 C43 C42 115.5(7) . . ? 
F24 C24 C25 121.6(7) . . ? 
F24 C24 C23 120.8(6) . . ? 
C25 C24 C23 117.5(6) . . ? 
C32 C33 F33 121.6(7) . . ? 
C32 C33 C34 119.9(6) . . ? 
F33 C33 C34 118.5(7) . . ? 
C13 C12 C11 109.4(6) . . ? 
C13 C12 C121 125.1(9) . . ? 
C11 C12 C121 125.3(9) . . ? 
C13 C12 Al1 71.1(4) . . ? 
C11 C12 Al1 71.3(3) . . ? 
C121 C12 Al1 127.3(5) . . ? 
F23 C23 C22 122.3(7) . . ? 
F23 C23 C24 117.9(7) . . ? 
C22 C23 C24 119.7(7) . . ? 

_refine_diff_density_max    0.435 
_refine_diff_density_min   -0.406 
_refine_diff_density_rms    0.103