# Copyright The Royal Society of Chemistry, 1999
# CCDC Number: 186/1444
data_recfcb

_audit_creation_date        97-11-20

_audit_creation_method      CRYSTALS

#  recfcb in P2(1)/n

_computing_data_collection DIF4

_computing_cell_refinement DIF4

_computing_data_reduction  REDU4

_computing_structure_refinement

;

CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)

;

_computing_publication_material

;

CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)

;

_computing_molecular_graphics

;

 CAMERON (Watkin, Prout & Pearce,  1996)

;

_computing_structure_solution DIRDIF

 

#==========================================================================

# NOW THE GOODIES TO BE ENTERED BY HAND

#==========================================================================

 

_chemical_melting_point                    ?

_diffrn_radiation_monochromator      graphite

_diffrn_measurement_device

;

Stoe Stadi-4 diffractometer equipped

with an Oxford Cryosystems l.t. device.

;

_refine_ls_matrix_type                   full

_refine_ls_weighting_scheme 'Chebychev 3-term polynomial'



_atom_sites_solution_primary   Patterson

_atom_sites_solution_hydrogens       Geometric

_refine_ls_hydrogen_treatment 'Placed geometrically after each cycle'



#****************************************************************************

_chemical_name_systematic

;

 # IUPAC name, in full

 ?

;

_cell_length_a 7.769(2)

_cell_angle_alpha 90

_cell_length_b 19.351(6)

_cell_angle_beta  104.41(2)

_cell_length_c 12.688(3)

_cell_angle_gamma 90

_cell_volume  1847.56

_symmetry_cell_setting 'Monoclinic '

_symmetry_space_group_name_H-M P21/n

loop_

 _symmetry_equiv_pos_as_xyz

 'x,y,z'

 '-x,-y,-z'

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

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

loop_

_atom_type_symbol

_atom_type_scat_dispersion_real

_atom_type_scat_dispersion_imag

_atom_type_scat_Cromer_Mann_a1

_atom_type_scat_Cromer_Mann_b1

_atom_type_scat_Cromer_Mann_a2

_atom_type_scat_Cromer_Mann_b2

_atom_type_scat_Cromer_Mann_a3

_atom_type_scat_Cromer_Mann_b3

_atom_type_scat_Cromer_Mann_a4

_atom_type_scat_Cromer_Mann_b4

_atom_type_scat_Cromer_Mann_c

_atom_type_scat_source

 'C   '    0.0020    0.0020    2.3100   20.8439

    1.0200   10.2075    1.5886    0.5687    0.8650   51.6512    0.2156

'International_Tables_Vol_IV_Table_2.2B'

 'H   '    0.0000    0.0000    0.4930   10.5109

    0.3229   26.1257    0.1402    3.1424    0.0408   57.7997    0.0030

'International_Tables_Vol_IV_Table_2.2B'

 'O   '    0.0080    0.0060    3.0485   13.2771

    2.2868    5.7011    1.5463    0.3239    0.8670   32.9089    0.2508

'International_Tables_Vol_IV_Table_2.2B'

 'F   '    0.0140    0.0100    3.5392   10.2825

    2.6412    4.2944    1.5170    0.2615    1.0243   26.1476    0.2776

'International_Tables_Vol_IV_Table_2.2B'

 'Re  '   -1.5980    7.2320   28.7621    1.6719

   15.7189    9.0923   14.5564    0.3505    5.4417   52.0861   10.4720

'International_Tables_Vol_IV_Table_2.2B'

_chemical_formula_sum

' C20 H10 Re2 O4 F4 '

_chemical_formula_moiety

' C20 H10 Re2 O4 F4 '

_chemical_compound_source

;

?

;

_chemical_formula_weight   762.69

_cell_measurement_reflns_used       42

_cell_measurement_theta_min       15

_cell_measurement_theta_max       16

_cell_measurement_temperature      200

_cell_formula_units_Z     4.00

_exptl_crystal_description ' block '

_exptl_crystal_colour ' red '

_exptl_crystal_size_min 0.08

_exptl_crystal_size_mid 0.19

_exptl_crystal_size_max 0.19

_exptl_crystal_density_diffrn 2.74

_exptl_crystal_density_meas ?

_exptl_crystal_F_000 1380.48

_exptl_absorpt_coefficient_mu 13.34

_exptl_absorpt_correction_type Numerical

_exptl_absorpt_correction_T_min 0.119

_exptl_absorpt_correction_T_max 0.347

_diffrn_standards_interval_time 60

_diffrn_standards_interval_count ?

_diffrn_standards_number 3

_diffrn_standards_decay_% 0.00

_diffrn_ambient_temperature        200

_diffrn_reflns_number 4171

_reflns_number_total 3256

_diffrn_reflns_av_R_equivalents 0.03

_reflns_number_observed 2307

_diffrn_reflns_theta_min 2.68

_diffrn_reflns_theta_max 25.04

_diffrn_reflns_limit_h_min -9

_diffrn_reflns_limit_h_max 8

_diffrn_reflns_limit_k_min -1

_diffrn_reflns_limit_k_max 23

_diffrn_reflns_limit_l_min 0

_diffrn_reflns_limit_l_max 15

_reflns_limit_h_min -9

_reflns_limit_h_max 8

_reflns_limit_k_min 0

_reflns_limit_k_max 22

_reflns_limit_l_min 0

_reflns_limit_l_max 15

_reflns_observed_criterion  >2.00\s(I)

_refine_diff_density_min -1.35

_refine_diff_density_max 1.37

_refine_ls_number_reflns 2307

_refine_ls_number_parameters 272

_refine_ls_R_factor_obs 0.0395

_refine_ls_wR_factor_obs 0.0400

_refine_ls_goodness_of_fit_obs 1.1494

_refine_ls_shift/esd_max 0.017482

_refine_ls_structure_factor_coef F

_diffrn_radiation_type       'Mo K\a'

_diffrn_radiation_wavelength      0.71073

_diffrn_measurement_method Omega-theta

 

loop_

_atom_site_label

_atom_site_fract_x

_atom_site_fract_y

_atom_site_fract_z

_atom_site_U_iso_or_equiv

_atom_site_occupancy

_atom_site_thermal_displace_type

 RE1 0.18706(6) 0.10903(2) 0.34371(4) 0.0227 1.0000 Uani

 RE2 0.12138(6) 0.13122(3) 0.10088(4) 0.0241 1.0000 Uani

 C1 0.440(2) 0.1128(7) 0.377(1) 0.0363 1.0000 Uani

 O1 0.593(1) 0.1120(6) 0.3919(9) 0.0549 1.0000 Uani

 C2 0.132(2) 0.2076(8) 0.338(1) 0.0388 1.0000 Uani

 O2 0.096(1) 0.2652(5) 0.3280(9) 0.0459 1.0000 Uani

 C3 0.366(1) 0.1555(7) 0.151(1) 0.0291 1.0000 Uani

 O3 0.514(1) 0.1695(6) 0.171(1) 0.0496 1.0000 Uani

 C4 0.221(2) 0.0577(7) 0.037(1) 0.0361 1.0000 Uani

 O4 0.279(2) 0.0139(6) -0.004(1) 0.0580 1.0000 Uani

 C11 0.203(2) 0.1213(6) 0.5177(9) 0.0234 1.0000 Uani

 C12 0.068(1) 0.1527(6) 0.553(1) 0.0315 1.0000 Uani

 F12 -0.075(1) 0.1812(4) 0.4813(7) 0.0410 1.0000 Uani

 C13 0.069(2) 0.1570(7) 0.663(1) 0.0344 1.0000 Uani

 F13 -0.076(1) 0.1851(5) 0.6895(7) 0.0479 1.0000 Uani

 C14 0.208(2) 0.1315(7) 0.743(1) 0.0355 1.0000 Uani

 C15 0.340(2) 0.1015(7) 0.710(1) 0.0365 1.0000 Uani

 F15 0.479(1) 0.0743(5) 0.7828(8) 0.0635 1.0000 Uani

 C16 0.336(2) 0.0950(6) 0.599(1) 0.0308 1.0000 Uani

 F16 0.477(1) 0.0616(5) 0.5773(7) 0.0530 1.0000 Uani

 C21 0.048(1) 0.0559(6) 0.1973(9) 0.0225 1.0000 Uani

 C22 -0.088(2) 0.0656(6) 0.257(1) 0.0283 1.0000 Uani

 C23 -0.033(2) 0.0297(6) 0.356(1) 0.0292 1.0000 Uani

 C24 0.131(2) -0.0060(6) 0.363(1) 0.0266 1.0000 Uani

 C25 0.174(2) 0.0068(7) 0.261(1) 0.0340 1.0000 Uani

 C31 0.042(2) 0.2124(7) -0.036(1) 0.0386 1.0000 Uani

 C32 0.026(2) 0.2428(6) 0.065(1) 0.0327 1.0000 Uani

 C33 -0.113(2) 0.2072(6) 0.097(1) 0.0293 1.0000 Uani

 C34 -0.174(2) 0.1545(7) 0.022(1) 0.0338 1.0000 Uani

 C35 -0.077(2) 0.1571(7) -0.059(1) 0.0291 1.0000 Uani

 H14 0.2097 0.1351 0.8224 0.0405 1.0000 Uiso

 H22 -0.2002 0.0929 0.2325 0.0326 1.0000 Uiso

 H23 -0.0996 0.0287 0.4136 0.0330 1.0000 Uiso

 H24 0.2018 -0.0334 0.4255 0.0288 1.0000 Uiso

 H25 0.2747 -0.0148 0.2364 0.0402 1.0000 Uiso

 H31 0.1218 0.2282 -0.0816 0.0482 1.0000 Uiso

 H32 0.0982 0.2819 0.1044 0.0369 1.0000 Uiso

 H33 -0.1584 0.2180 0.1624 0.0329 1.0000 Uiso

 H34 -0.2708 0.1207 0.0241 0.0401 1.0000 Uiso

 H35 -0.0900 0.1245 -0.1215 0.0329 1.0000 Uiso

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

 RE1 0.0191(3) 0.0226(3) 0.0261(3) 0.0004(2) 0.0048(2) -0.0011(2)

 RE2 0.0231(3) 0.0236(3) 0.0267(3) 0.0024(2) 0.0081(2) 0.0027(2)

 C1 0.040(8) 0.028(7) 0.041(8) -0.008(6) 0.011(6) -0.011(6)

 O1 0.026(6) 0.084(9) 0.054(7) -0.017(6) 0.011(5) -0.004(5)

 C2 0.042(8) 0.034(8) 0.031(8) 0.000(6) -0.007(6) -0.012(6)

 O2 0.058(7) 0.032(6) 0.042(6) -0.002(4) 0.000(5) -0.009(5)

 C3 0.008(6) 0.031(7) 0.043(8) -0.004(6) -0.003(5) -0.005(5)

 O3 0.026(6) 0.053(7) 0.073(8) 0.007(5) 0.019(5) -0.004(4)

 C4 0.039(8) 0.039(8) 0.032(8) 0.007(6) 0.014(6) -0.004(6)

 O4 0.076(9) 0.046(7) 0.063(8) -0.009(6) 0.037(7) 0.019(6)

 C11 0.033(7) 0.022(6) 0.016(6) -0.004(4) 0.007(5) -0.006(5)

 C12 0.005(5) 0.023(6) 0.062(9) 0.002(6) 0.000(5) -0.002(4)

 F12 0.029(4) 0.052(5) 0.042(5) 0.009(4) 0.011(4) 0.016(3)

 C13 0.031(7) 0.034(7) 0.040(8) 0.007(6) 0.013(6) 0.000(6)

 F13 0.031(4) 0.071(6) 0.044(5) -0.001(4) 0.015(4) 0.010(4)

 C14 0.030(7) 0.038(7) 0.034(8) 0.002(6) -0.001(6) 0.009(6)

 C15 0.034(7) 0.042(8) 0.030(7) 0.001(6) 0.000(6) 0.004(6)

 F15 0.059(6) 0.081(7) 0.043(6) 0.009(5) -0.001(5) 0.032(5)

 C16 0.022(6) 0.018(6) 0.051(9) -0.005(6) 0.007(6) -0.000(5)

 F16 0.041(5) 0.076(6) 0.044(5) -0.000(4) 0.015(4) 0.027(4)

 C21 0.019(6) 0.027(6) 0.019(6) -0.000(5) -0.001(5) 0.001(4)

 C22 0.033(7) 0.016(6) 0.038(7) -0.007(5) 0.013(6) -0.010(5)

 C23 0.036(7) 0.031(7) 0.019(6) 0.009(5) 0.004(5) -0.011(5)

 C24 0.021(6) 0.037(7) 0.020(6) -0.002(5) 0.001(5) -0.000(5)

 C25 0.038(8) 0.042(8) 0.023(6) 0.002(6) 0.010(6) -0.013(6)

 C31 0.043(9) 0.042(8) 0.039(8) 0.019(6) 0.026(7) 0.019(6)

 C32 0.029(7) 0.024(7) 0.040(8) 0.013(5) -0.001(6) 0.008(5)

 C33 0.018(6) 0.032(7) 0.039(8) 0.011(6) 0.011(5) 0.018(5)

 C34 0.030(7) 0.044(8) 0.028(7) 0.001(6) 0.008(6) 0.003(6)

 C35 0.036(7) 0.037(7) 0.016(6) 0.003(5) 0.009(5) 0.004(6)

_refine_ls_extinction_coef 15.4(27)

_refine_ls_extinction_method

    'Larson 1970 Crystallographic Computing eq 22'

loop_

 _geom_bond_atom_site_label_1

 _geom_bond_site_symmetry_1

 _geom_bond_atom_site_label_2

 _geom_bond_site_symmetry_2

 _geom_bond_distance

 _geom_bond_publ_flag

RE1 . RE2 . 3.0258(7)    yes

RE1 . C1 . 1.91(1)    yes

RE1 . C2 . 1.95(2)    yes

RE1 . C11 . 2.19(1)    yes

RE1 . C21 . 2.16(1)    yes

RE1 . C22 . 2.31(1)    yes

RE1 . C23 . 2.33(1)    yes

RE1 . C24 . 2.29(1)    yes

RE1 . C25 . 2.23(1)    yes

RE2 . C3 . 1.91(1)    yes

RE2 . C4 . 1.90(1)    yes

RE2 . C21 . 2.07(1)    yes

RE2 . C31 . 2.31(1)    yes

RE2 . C32 . 2.29(1)    yes

RE2 . C33 . 2.33(1)    yes

RE2 . C34 . 2.31(1)    yes

RE2 . C35 . 2.27(1)    yes

C1 . O1 . 1.15(2)    yes

C2 . O2 . 1.15(2)    yes

C3 . O3 . 1.15(1)    yes

C4 . O4 . 1.15(2)    yes

C11 . C12 . 1.38(2)    yes

C11 . C16 . 1.36(2)    yes

C12 . F12 . 1.37(1)    yes

C12 . C13 . 1.39(2)    yes

C13 . F13 . 1.36(2)    yes

C13 . C14 . 1.38(2)    yes

C14 . C15 . 1.34(2)    yes

C14 . H14 . 1.00(1)    no

C15 . F15 . 1.35(2)    yes

C15 . C16 . 1.41(2)    yes

C16 . F16 . 1.35(1)    yes

C21 . C22 . 1.46(2)    yes

C21 . C25 . 1.45(2)    yes

C22 . C23 . 1.40(2)    yes

C22 . H22 . 1.00(1)    no

C23 . C24 . 1.43(2)    yes

C23 . H23 . 1.00(1)    no

C24 . C25 . 1.44(2)    yes

C24 . H24 . 1.00(1)    no

C25 . H25 . 1.00(1)    no

C31 . C32 . 1.44(2)    yes

C31 . C35 . 1.39(2)    yes

C31 . H31 . 1.00(1)    no

C32 . C33 . 1.42(2)    yes

C32 . H32 . 1.00(1)    no

C33 . C34 . 1.40(2)    yes

C33 . H33 . 1.00(1)    no

C34 . C35 . 1.42(2)    yes

C34 . H34 . 1.00(1)    no

C35 . H35 . 1.00(1)    no

loop_

 _geom_angle_atom_site_label_1

 _geom_angle_site_symmetry_1

 _geom_angle_atom_site_label_2

 _geom_angle_site_symmetry_2

 _geom_angle_atom_site_label_3

 _geom_angle_site_symmetry_3

 _geom_angle

 _geom_angle_publ_flag

RE2 . RE1 . C1 . 96.9(4)    yes

RE2 . RE1 . C2 . 80.9(4)    yes

C1 . RE1 . C2 . 100.2(6)    yes

RE2 . RE1 . C11 . 164.3(3)    yes

C1 . RE1 . C11 . 88.9(5)    yes

C2 . RE1 . C11 . 83.7(5)    yes

RE2 . RE1 . C21 . 43.2(3)    yes

C1 . RE1 . C21 . 118.2(5)    yes

C2 . RE1 . C21 . 111.9(5)    yes

C11 . RE1 . C21 . 143.8(4)    yes

RE2 . RE1 . C22 . 70.3(3)    yes

C1 . RE1 . C22 . 154.2(5)    yes

C2 . RE1 . C22 . 99.7(5)    yes

C11 . RE1 . C22 . 109.5(5)    yes

C21 . RE1 . C22 . 37.9(4)    yes

RE2 . RE1 . C23 . 102.7(3)    yes

C1 . RE1 . C23 . 138.0(5)    yes

C2 . RE1 . C23 . 119.2(6)    yes

C11 . RE1 . C23 . 82.2(4)    yes

C21 . RE1 . C23 . 61.7(4)    yes

RE2 . RE1 . C24 . 104.9(3)    yes

C1 . RE1 . C24 . 103.0(5)    yes

C2 . RE1 . C24 . 155.1(5)    yes

C11 . RE1 . C24 . 87.9(4)    yes

C21 . RE1 . C24 . 64.0(4)    yes

RE2 . RE1 . C25 . 70.7(3)    yes

C1 . RE1 . C25 . 93.4(5)    yes

C2 . RE1 . C25 . 149.7(6)    yes

C11 . RE1 . C25 . 123.8(4)    yes

C21 . RE1 . C25 . 38.6(5)    yes

C22 . RE1 . C23 . 35.3(4)    yes

C22 . RE1 . C24 . 61.3(4)    yes

C23 . RE1 . C24 . 36.1(4)    yes

C22 . RE1 . C25 . 61.6(5)    yes

C23 . RE1 . C25 . 60.0(5)    yes

C24 . RE1 . C25 . 37.0(5)    yes

RE1 . RE2 . C3 . 78.0(4)    yes

RE1 . RE2 . C4 . 110.3(4)    yes

C3 . RE2 . C4 . 81.3(6)    yes

RE1 . RE2 . C21 . 45.6(3)    yes

C3 . RE2 . C21 . 111.8(5)    yes

C4 . RE2 . C21 . 85.8(5)    yes

RE1 . RE2 . C31 . 143.9(4)    yes

C3 . RE2 . C31 . 98.2(6)    yes

C4 . RE2 . C31 . 104.5(5)    yes

C21 . RE2 . C31 . 149.5(5)    yes

RE1 . RE2 . C32 . 107.6(4)    yes

C3 . RE2 . C32 . 94.7(5)    yes

C4 . RE2 . C32 . 140.1(5)    yes

C21 . RE2 . C32 . 131.2(5)    yes

C31 . RE2 . C32 . 36.4(5)    yes

RE1 . RE2 . C33 . 92.4(3)    yes

C3 . RE2 . C33 . 124.1(5)    yes

C4 . RE2 . C33 . 149.8(6)    yes

C21 . RE2 . C33 . 97.4(4)    yes

C31 . RE2 . C33 . 59.6(5)    yes

RE1 . RE2 . C34 . 111.5(3)    yes

C3 . RE2 . C34 . 153.9(5)    yes

C4 . RE2 . C34 . 115.4(6)    yes

C21 . RE2 . C34 . 90.3(5)    yes

C31 . RE2 . C34 . 59.3(5)    yes

RE1 . RE2 . C35 . 147.6(3)    yes

C3 . RE2 . C35 . 129.9(5)    yes

C4 . RE2 . C35 . 92.4(5)    yes

C21 . RE2 . C35 . 117.2(5)    yes

C31 . RE2 . C35 . 35.4(5)    yes

C32 . RE2 . C33 . 35.9(5)    yes

C32 . RE2 . C34 . 59.4(5)    yes

C33 . RE2 . C34 . 35.0(5)    yes

C32 . RE2 . C35 . 60.0(5)    yes

C33 . RE2 . C35 . 59.5(5)    yes

C34 . RE2 . C35 . 36.0(4)    yes

RE1 . C1 . O1 . 176.0(12)    yes

RE1 . C2 . O2 . 176.3(12)    yes

RE2 . C3 . O3 . 173.0(13)    yes

RE2 . C4 . O4 . 178.4(13)    yes

RE1 . C11 . C12 . 121.4(9)    yes

RE1 . C11 . C16 . 124.0(9)    yes

C12 . C11 . C16 . 114.4(12)    yes

C11 . C12 . F12 . 120.9(13)    yes

C11 . C12 . C13 . 122.6(12)    yes

F12 . C12 . C13 . 116.4(11)    yes

C12 . C13 . F13 . 118.1(12)    yes

C12 . C13 . C14 . 121.7(12)    yes

F13 . C13 . C14 . 120.2(12)    yes

C13 . C14 . C15 . 116.2(13)    yes

C13 . C14 . H14 . 122.0(13)    no

C15 . C14 . H14 . 121.8(13)    no

C14 . C15 . F15 . 120.1(13)    yes

C14 . C15 . C16 . 122.2(13)    yes

F15 . C15 . C16 . 117.7(12)    yes

C11 . C16 . C15 . 122.8(12)    yes

C11 . C16 . F16 . 121.9(12)    yes

C15 . C16 . F16 . 115.4(12)    yes

RE1 . C21 . RE2 . 91.2(4)    yes

RE1 . C21 . C22 . 76.4(7)    yes

RE2 . C21 . C22 . 123.8(8)    yes

RE1 . C21 . C25 . 73.3(7)    yes

RE2 . C21 . C25 . 122.7(9)    yes

C22 . C21 . C25 . 105.9(11)    yes

RE1 . C22 . C21 . 65.7(6)    yes

RE1 . C22 . C23 . 73.2(7)    yes

C21 . C22 . C23 . 107.3(11)    yes

RE1 . C22 . H22 . 125.9(8)    no

C21 . C22 . H22 . 126.8(13)    no

C23 . C22 . H22 . 125.9(13)    no

RE1 . C23 . C22 . 71.5(7)    yes

RE1 . C23 . C24 . 70.5(7)    yes

C22 . C23 . C24 . 111.4(11)    yes

RE1 . C23 . H23 . 125.8(9)    no

C22 . C23 . H23 . 124.5(13)    no

C24 . C23 . H23 . 124.1(12)    no

RE1 . C24 . C23 . 73.3(7)    yes

RE1 . C24 . C25 . 69.2(7)    yes

C23 . C24 . C25 . 105.3(11)    yes

RE1 . C24 . H24 . 121.3(9)    no

C23 . C24 . H24 . 127.5(12)    no

C25 . C24 . H24 . 127.2(12)    no

RE1 . C25 . C21 . 68.1(7)    yes

RE1 . C25 . C24 . 73.8(8)    yes

C21 . C25 . C24 . 109.6(12)    yes

RE1 . C25 . H25 . 124.8(10)    no

C21 . C25 . H25 . 124.9(12)    no

C24 . C25 . H25 . 125.5(13)    no

RE2 . C31 . C32 . 71.2(7)    yes

RE2 . C31 . C35 . 70.9(7)    yes

C32 . C31 . C35 . 107.5(11)    yes

RE2 . C31 . H31 . 123.6(10)    no

C32 . C31 . H31 . 126.4(15)    no

C35 . C31 . H31 . 126.0(14)    no

RE2 . C32 . C31 . 72.4(7)    yes

RE2 . C32 . C33 . 73.6(7)    yes

C31 . C32 . C33 . 107.4(12)    yes

RE2 . C32 . H32 . 119.7(9)    no

C31 . C32 . H32 . 126.5(14)    no

C33 . C32 . H32 . 126.1(14)    no

RE2 . C33 . C32 . 70.5(6)    yes

RE2 . C33 . C34 . 71.6(7)    yes

C32 . C33 . C34 . 107.8(12)    yes

RE2 . C33 . H33 . 123.3(9)    no

C32 . C33 . H33 . 126.1(14)    no

C34 . C33 . H33 . 126.1(13)    no

RE2 . C34 . C33 . 73.4(7)    yes

RE2 . C34 . C35 . 70.6(7)    yes

C33 . C34 . C35 . 108.5(12)    yes

RE2 . C34 . H34 . 122.1(10)    no

C33 . C34 . H34 . 126.0(13)    no

C35 . C34 . H34 . 125.6(13)    no

RE2 . C35 . C31 . 73.7(8)    yes

RE2 . C35 . C34 . 73.4(7)    yes

C31 . C35 . C34 . 108.6(12)    yes

RE2 . C35 . H35 . 118.9(9)    no

C31 . C35 . H35 . 125.7(12)    no

C34 . C35 . H35 . 125.7(13)    no