#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:12:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178619 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/30/4073043.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4073043
loop_
_publ_author_name
'McGuinness, David S.'
'Rucklidge, Adam J.'
'Tooze, Robert P.'
'Slawin, Alexandra M. Z.'
_publ_section_title
;
 Cocatalyst Influence in Selective Oligomerization:  Effect on
 Activity, Catalyst Stability, and 1-Hexene/1-Octene Selectivity in the
 Ethylene Trimerization and Tetramerization Reaction
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2561
_journal_paper_doi               10.1021/om070029c
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C36 Al2 F30 O6.C7 H8'
_chemical_formula_sum            'C43 H8 Al2 F30 O6'
_chemical_formula_weight         1244.45
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.367(6)
_cell_angle_beta                 107.070(4)
_cell_angle_gamma                104.356(5)
_cell_formula_units_Z            1
_cell_length_a                   10.247(3)
_cell_length_b                   10.451(3)
_cell_length_c                   11.196(3)
_cell_measurement_reflns_used    4045
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      1.9675
_cell_volume                     1073.9(5)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2004)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 0.83
_diffrn_measured_fraction_theta_full 0.943
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0446
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6752
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         3.28
_exptl_absorpt_coefficient_mu    0.251
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   -
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.924
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             610
_exptl_crystal_size_max          0.1500
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.1500
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.253
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       0.008(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         3714
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0579P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0949
_refine_ls_wR_factor_ref         0.0990
_reflns_number_gt                2981
_reflns_number_total             3714
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om070029csi20070111_112955.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4073043
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Al1 Al 0.84706(6) 0.95308(6) 1.46641(5) 0.02209(18) Uani 1 1 d .
O1 O 1.00483(13) 1.10152(12) 1.56552(11) 0.0222(3) Uani 1 1 d .
C1 C 1.0134(2) 1.21546(18) 1.65411(17) 0.0220(4) Uani 1 1 d .
F2 F 0.76389(11) 1.13864(12) 1.59983(11) 0.0382(3) Uani 1 1 d .
C2 C 0.8909(2) 1.23386(19) 1.67161(18) 0.0266(4) Uani 1 1 d .
F3 F 0.77625(14) 1.36443(13) 1.77011(13) 0.0502(4) Uani 1 1 d .
C3 C 0.8969(2) 1.3473(2) 1.7569(2) 0.0317(5) Uani 1 1 d .
F4 F 1.03420(14) 1.55941(11) 1.90610(12) 0.0462(4) Uani 1 1 d .
C4 C 1.0285(2) 1.44581(19) 1.82611(19) 0.0319(5) Uani 1 1 d .
F5 F 1.27858(12) 1.52404(11) 1.87618(11) 0.0388(3) Uani 1 1 d .
C5 C 1.1513(2) 1.42930(19) 1.81055(18) 0.0274(5) Uani 1 1 d .
F6 F 1.26255(11) 1.29690(11) 1.70637(11) 0.0326(3) Uani 1 1 d .
C6 C 1.14328(19) 1.31393(18) 1.72448(18) 0.0231(4) Uani 1 1 d .
O7 O 0.75740(15) 0.85758(15) 1.54034(13) 0.0361(4) Uani 1 1 d .
C7 C 0.7513(2) 0.80039(19) 1.63825(18) 0.0266(4) Uani 1 1 d .
F8 F 0.98208(12) 0.94266(14) 1.77009(13) 0.0486(4) Uani 1 1 d .
C8 C 0.8633(2) 0.8408(2) 1.7548(2) 0.0311(5) Uani 1 1 d .
F9 F 0.96712(14) 0.82341(15) 1.96671(12) 0.0520(4) Uani 1 1 d .
C9 C 0.8564(2) 0.7808(2) 1.8544(2) 0.0343(5) Uani 1 1 d .
F10 F 0.72772(15) 0.61491(14) 1.93255(12) 0.0520(4) Uani 1 1 d .
C10 C 0.7354(2) 0.6766(2) 1.8372(2) 0.0356(5) Uani 1 1 d .
F11 F 0.50194(14) 0.53557(13) 1.70802(13) 0.0530(4) Uani 1 1 d .
C11 C 0.6212(2) 0.6351(2) 1.7229(2) 0.0342(5) Uani 1 1 d .
F12 F 0.51636(13) 0.65717(13) 1.51431(11) 0.0455(4) Uani 1 1 d .
C12 C 0.6285(2) 0.6971(2) 1.62436(19) 0.0303(5) Uani 1 1 d .
O13 O 0.75282(13) 0.99622(13) 1.33704(12) 0.0279(3) Uani 1 1 d .
C13 C 0.62717(19) 0.94643(18) 1.23828(18) 0.0238(4) Uani 1 1 d .
F14 F 0.74028(11) 0.86832(12) 1.09928(11) 0.0374(3) Uani 1 1 d .
C14 C 0.62029(19) 0.88350(18) 1.11637(18) 0.0253(4) Uani 1 1 d .
F15 F 0.49160(12) 0.77948(12) 0.89557(11) 0.0392(3) Uani 1 1 d .
C15 C 0.4932(2) 0.83665(18) 1.01205(18) 0.0262(4) Uani 1 1 d .
F16 F 0.24680(11) 0.81203(12) 0.92500(11) 0.0374(3) Uani 1 1 d .
C16 C 0.36906(19) 0.85313(18) 1.02694(18) 0.0265(4) Uani 1 1 d .
F17 F 0.25282(12) 0.93085(14) 1.16244(12) 0.0462(4) Uani 1 1 d .
C17 C 0.3735(2) 0.9149(2) 1.1472(2) 0.0293(5) Uani 1 1 d .
F18 F 0.50253(13) 1.02331(14) 1.36630(11) 0.0448(3) Uani 1 1 d .
C18 C 0.5012(2) 0.96144(19) 1.25096(18) 0.0275(4) Uani 1 1 d .
C21 C 0.2103(3) 0.6483(3) 0.6033(2) 0.0578(7) Uani 1 1 d .
C22 C 0.0811(4) 0.5551(4) 0.5346(4) 0.0298(9) Uani 0.50 1 d P
C23 C 0.0530(3) 0.4315(2) 0.4442(2) 0.0395(6) Uani 1 1 d .
C24 C -0.0701(5) 0.3416(4) 0.3786(4) 0.0365(10) Uani 0.50 1 d P
C25 C 0.1754(5) 0.5183(5) 0.5091(5) 0.0427(11) Uani 0.50 1 d P
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'
O O 0.0106 0.0060 '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'
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
O7 Al1 O13 118.68(7) . .
O7 Al1 O1 118.85(7) . .
O13 Al1 O1 108.63(6) . .
O7 Al1 O1 115.27(7) . 2_778
O13 Al1 O1 110.13(7) . 2_778
O1 Al1 O1 78.43(7) . 2_778
O7 Al1 Al1 125.93(6) . 2_778
O13 Al1 Al1 115.36(5) . 2_778
O1 Al1 Al1 39.36(4) . 2_778
O1 Al1 Al1 39.06(4) 2_778 2_778
C1 O1 Al1 129.20(11) . .
C1 O1 Al1 128.70(11) . 2_778
Al1 O1 Al1 101.57(7) . 2_778
C6 C1 C2 118.48(17) . .
C6 C1 O1 121.01(16) . .
C2 C1 O1 120.49(16) . .
F2 C2 C3 120.58(17) . .
F2 C2 C1 118.03(17) . .
C3 C2 C1 121.37(18) . .
F3 C3 C2 120.31(18) . .
F3 C3 C4 120.36(19) . .
C2 C3 C4 119.30(19) . .
F4 C4 C5 120.20(19) . .
F4 C4 C3 119.53(19) . .
C5 C4 C3 120.25(19) . .
F5 C5 C4 120.75(18) . .
F5 C5 C6 119.60(18) . .
C4 C5 C6 119.64(18) . .
F6 C6 C1 118.53(17) . .
F6 C6 C5 120.51(17) . .
C1 C6 C5 120.95(18) . .
C7 O7 Al1 152.17(14) . .
O7 C7 C8 122.34(17) . .
O7 C7 C12 119.95(18) . .
C8 C7 C12 117.71(17) . .
F8 C8 C9 119.88(19) . .
F8 C8 C7 118.21(17) . .
C9 C8 C7 121.91(18) . .
F9 C9 C10 120.39(18) . .
F9 C9 C8 120.28(19) . .
C10 C9 C8 119.3(2) . .
F10 C10 C9 120.2(2) . .
F10 C10 C11 119.58(19) . .
C9 C10 C11 120.20(18) . .
F11 C11 C10 119.87(17) . .
F11 C11 C12 120.15(19) . .
C10 C11 C12 119.98(18) . .
F12 C12 C11 119.52(17) . .
F12 C12 C7 119.64(16) . .
C11 C12 C7 120.84(19) . .
C13 O13 Al1 139.88(11) . .
O13 C13 C18 122.00(17) . .
O13 C13 C14 120.71(17) . .
C18 C13 C14 117.20(17) . .
F14 C14 C15 119.06(17) . .
F14 C14 C13 119.23(16) . .
C15 C14 C13 121.70(18) . .
F15 C15 C16 119.98(16) . .
F15 C15 C14 119.92(17) . .
C16 C15 C14 120.05(17) . .
F16 C16 C17 120.69(17) . .
F16 C16 C15 120.15(17) . .
C17 C16 C15 119.15(17) . .
F17 C17 C16 119.46(17) . .
F17 C17 C18 120.15(18) . .
C16 C17 C18 120.38(18) . .
F18 C18 C17 118.97(18) . .
F18 C18 C13 119.52(17) . .
C17 C18 C13 121.50(18) . .
C22 C21 C25 50.9(3) . .
C22 C21 C24 56.8(3) . 2_566
C25 C21 C24 107.5(3) . 2_566
C25 C22 C21 69.8(3) . .
C25 C22 C24 138.0(5) . 2_566
C21 C22 C24 68.5(3) . 2_566
C25 C22 C23 57.2(3) . .
C21 C22 C23 127.0(4) . .
C24 C22 C23 163.9(4) 2_566 .
C25 C22 C23 167.7(4) . 2_566
C21 C22 C23 121.5(3) . 2_566
C24 C22 C23 52.9(3) 2_566 2_566
C23 C22 C23 111.4(3) . 2_566
C25 C22 C22 115.1(5) . 2_566
C21 C22 C22 173.6(5) . 2_566
C24 C22 C22 106.1(4) 2_566 2_566
C23 C22 C22 58.1(3) . 2_566
C23 C22 C22 53.3(3) 2_566 2_566
C25 C23 C24 179.0(4) . .
C25 C23 C22 53.5(3) . .
C24 C23 C22 127.3(3) . .
C25 C23 C22 121.9(3) . 2_566
C24 C23 C22 58.9(3) . 2_566
C22 C23 C22 68.6(3) . 2_566
C23 C24 C22 68.2(3) . 2_566
C23 C24 C21 122.8(4) . 2_566
C22 C24 C21 54.7(3) 2_566 2_566
C22 C25 C23 69.4(3) . .
C22 C25 C21 59.3(3) . .
C23 C25 C21 128.7(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Al1 O7 1.6691(14) .
Al1 O13 1.6855(13) .
Al1 O1 1.8424(14) .
Al1 O1 1.8543(14) 2_778
Al1 Al1 2.8641(13) 2_778
O1 C1 1.386(2) .
O1 Al1 1.8543(14) 2_778
C1 C6 1.375(3) .
C1 C2 1.380(3) .
F2 C2 1.347(2) .
C2 C3 1.372(3) .
F3 C3 1.338(2) .
C3 C4 1.385(3) .
F4 C4 1.343(2) .
C4 C5 1.368(3) .
F5 C5 1.335(2) .
C5 C6 1.384(3) .
F6 C6 1.345(2) .
O7 C7 1.341(2) .
C7 C8 1.378(3) .
C7 C12 1.389(3) .
F8 C8 1.349(2) .
C8 C9 1.376(3) .
F9 C9 1.341(2) .
C9 C10 1.372(3) .
F10 C10 1.345(2) .
C10 C11 1.373(3) .
F11 C11 1.340(2) .
C11 C12 1.378(3) .
F12 C12 1.333(2) .
O13 C13 1.340(2) .
C13 C18 1.383(3) .
C13 C14 1.389(3) .
F14 C14 1.341(2) .
C14 C15 1.380(3) .
F15 C15 1.337(2) .
C15 C16 1.378(3) .
F16 C16 1.338(2) .
C16 C17 1.377(3) .
F17 C17 1.343(2) .
C17 C18 1.381(3) .
F18 C18 1.341(2) .
C21 C22 1.345(5) .
C21 C25 1.468(6) .
C21 C24 1.534(5) 2_566
C22 C25 1.213(6) .
C22 C24 1.381(6) 2_566
C22 C23 1.413(5) .
C22 C23 1.497(5) 2_566
C22 C22 1.642(8) 2_566
C23 C25 1.269(5) .
C23 C24 1.287(5) .
C23 C22 1.497(5) 2_566
C24 C22 1.381(6) 2_566
C24 C21 1.534(5) 2_566
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O7 Al1 O1 C1 -59.50(15) . .
O13 Al1 O1 C1 80.31(14) . .
O1 Al1 O1 C1 -172.13(16) 2_778 .
Al1 Al1 O1 C1 -172.13(16) 2_778 .
O7 Al1 O1 Al1 112.63(8) . 2_778
O13 Al1 O1 Al1 -107.56(7) . 2_778
O1 Al1 O1 Al1 0.0 2_778 2_778
Al1 O1 C1 C6 176.73(12) . .
Al1 O1 C1 C6 6.6(2) 2_778 .
Al1 O1 C1 C2 -4.6(2) . .
Al1 O1 C1 C2 -174.73(12) 2_778 .
C6 C1 C2 F2 178.30(15) . .
O1 C1 C2 F2 -0.4(2) . .
C6 C1 C2 C3 0.0(3) . .
O1 C1 C2 C3 -178.64(15) . .
F2 C2 C3 F3 0.3(3) . .
C1 C2 C3 F3 178.51(16) . .
F2 C2 C3 C4 -177.78(16) . .
C1 C2 C3 C4 0.4(3) . .
F3 C3 C4 F4 -0.5(3) . .
C2 C3 C4 F4 177.55(16) . .
F3 C3 C4 C5 -178.74(17) . .
C2 C3 C4 C5 -0.7(3) . .
F4 C4 C5 F5 1.3(3) . .
C3 C4 C5 F5 179.56(16) . .
F4 C4 C5 C6 -177.78(15) . .
C3 C4 C5 C6 0.4(3) . .
C2 C1 C6 F6 -179.22(14) . .
O1 C1 C6 F6 -0.6(2) . .
C2 C1 C6 C5 -0.3(3) . .
O1 C1 C6 C5 178.38(14) . .
F5 C5 C6 F6 -0.2(2) . .
C4 C5 C6 F6 178.97(15) . .
F5 C5 C6 C1 -179.08(15) . .
C4 C5 C6 C1 0.1(3) . .
O13 Al1 O7 C7 -169.8(3) . .
O1 Al1 O7 C7 -34.0(3) . .
O1 Al1 O7 C7 56.4(3) 2_778 .
Al1 Al1 O7 C7 12.3(3) 2_778 .
Al1 O7 C7 C8 15.0(4) . .
Al1 O7 C7 C12 -165.5(2) . .
O7 C7 C8 F8 0.7(3) . .
C12 C7 C8 F8 -178.88(17) . .
O7 C7 C8 C9 -179.51(19) . .
C12 C7 C8 C9 0.9(3) . .
F8 C8 C9 F9 0.2(3) . .
C7 C8 C9 F9 -179.57(18) . .
F8 C8 C9 C10 -179.47(18) . .
C7 C8 C9 C10 0.8(3) . .
F9 C9 C10 F10 -0.9(3) . .
C8 C9 C10 F10 178.77(19) . .
F9 C9 C10 C11 178.7(2) . .
C8 C9 C10 C11 -1.6(3) . .
F10 C10 C11 F11 1.3(3) . .
C9 C10 C11 F11 -178.31(19) . .
F10 C10 C11 C12 -179.56(19) . .
C9 C10 C11 C12 0.8(3) . .
F11 C11 C12 F12 -0.1(3) . .
C10 C11 C12 F12 -179.24(19) . .
F11 C11 C12 C7 -179.98(18) . .
C10 C11 C12 C7 0.9(3) . .
O7 C7 C12 F12 -1.2(3) . .
C8 C7 C12 F12 178.40(18) . .
O7 C7 C12 C11 178.69(19) . .
C8 C7 C12 C11 -1.7(3) . .
O7 Al1 O13 C13 -31.7(2) . .
O1 Al1 O13 C13 -171.61(19) . .
O1 Al1 O13 C13 104.24(19) 2_778 .
Al1 Al1 O13 C13 146.39(18) 2_778 .
Al1 O13 C13 C18 84.0(2) . .
Al1 O13 C13 C14 -99.5(2) . .
O13 C13 C14 F14 2.5(2) . .
C18 C13 C14 F14 179.18(15) . .
O13 C13 C14 C15 -177.22(16) . .
C18 C13 C14 C15 -0.5(3) . .
F14 C14 C15 F15 -1.3(2) . .
C13 C14 C15 F15 178.44(15) . .
F14 C14 C15 C16 -178.96(15) . .
C13 C14 C15 C16 0.7(3) . .
F15 C15 C16 F16 0.0(2) . .
C14 C15 C16 F16 177.69(15) . .
F15 C15 C16 C17 -178.64(16) . .
C14 C15 C16 C17 -0.9(3) . .
F16 C16 C17 F17 1.6(3) . .
C15 C16 C17 F17 -179.78(16) . .
F16 C16 C17 C18 -177.67(16) . .
C15 C16 C17 C18 1.0(3) . .
F17 C17 C18 F18 -0.4(3) . .
C16 C17 C18 F18 178.82(16) . .
F17 C17 C18 C13 179.97(16) . .
C16 C17 C18 C13 -0.8(3) . .
O13 C13 C18 F18 -2.4(3) . .
C14 C13 C18 F18 -179.05(16) . .
O13 C13 C18 C17 177.19(16) . .
C14 C13 C18 C17 0.5(3) . .
C24 C21 C22 C25 -174.8(4) 2_566 .
C25 C21 C22 C24 174.8(4) . 2_566
C25 C21 C22 C23 -0.4(3) . .
C24 C21 C22 C23 -175.2(4) 2_566 .
C25 C21 C22 C23 174.4(4) . 2_566
C24 C21 C22 C23 -0.3(3) 2_566 2_566
C25 C21 C22 C22 141(4) . 2_566
C24 C21 C22 C22 -34(4) 2_566 2_566
C21 C22 C23 C25 0.4(3) . .
C24 C22 C23 C25 -163.1(13) 2_566 .
C23 C22 C23 C25 -174.8(4) 2_566 .
C22 C22 C23 C25 -174.8(4) 2_566 .
C25 C22 C23 C24 179.2(4) . .
C21 C22 C23 C24 179.6(3) . .
C24 C22 C23 C24 16.1(15) 2_566 .
C23 C22 C23 C24 4.4(4) 2_566 .
C22 C22 C23 C24 4.4(4) 2_566 .
C25 C22 C23 C22 174.8(4) . 2_566
C21 C22 C23 C22 175.3(5) . 2_566
C24 C22 C23 C22 11.8(11) 2_566 2_566
C23 C22 C23 C22 0.0 2_566 2_566
C25 C23 C24 C22 137(19) . 2_566
C22 C23 C24 C22 -4.7(4) . 2_566
C25 C23 C24 C21 137(19) . 2_566
C22 C23 C24 C21 -4.4(5) . 2_566
C22 C23 C24 C21 0.3(3) 2_566 2_566
C21 C22 C25 C23 -179.6(3) . .
C24 C22 C25 C23 173.1(5) 2_566 .
C23 C22 C25 C23 23.2(18) 2_566 .
C22 C22 C25 C23 4.8(4) 2_566 .
C24 C22 C25 C21 -7.3(5) 2_566 .
C23 C22 C25 C21 179.6(3) . .
C23 C22 C25 C21 -157.2(18) 2_566 .
C22 C22 C25 C21 -175.5(5) 2_566 .
C24 C23 C25 C22 -142(19) . .
C22 C23 C25 C22 -5.7(4) 2_566 .
C24 C23 C25 C21 -142(19) . .
C22 C23 C25 C21 -0.4(3) . .
C22 C23 C25 C21 -6.1(6) 2_566 .
C24 C21 C25 C22 4.6(3) 2_566 .
C22 C21 C25 C23 0.4(3) . .
C24 C21 C25 C23 5.0(5) 2_566 .
