#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/17/4081792.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_4081792
loop_
_publ_author_name
'Uhl, Werner'
'Tannert, Jens'
'Layh, Marcus'
'Hepp, Alexander'
'Grimme, Stefan'
'Risthaus, Tobias'
_publ_section_title
;
 Cooperative Ge--N Bond Activation in Hydrogallation Products of
 Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4--n
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              6770
_journal_paper_doi               10.1021/om400543v
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C33 H56.5 F2.5 Ga Ge N'
_chemical_formula_weight         657.10
_chemical_name_systematic
; 
 ? 
;
_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                90.02(3)
_cell_angle_beta                 98.17(3)
_cell_angle_gamma                99.47(3)
_cell_formula_units_Z            2
_cell_length_a                   9.890(2)
_cell_length_b                   10.935(2)
_cell_length_c                   17.134(3)
_cell_measurement_reflns_used    29450
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.39
_cell_measurement_theta_min      1.88
_cell_volume                     1808.7(6)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_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      153(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'imaging plate detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8601
_diffrn_reflns_theta_full        27.96
_diffrn_reflns_theta_max         27.96
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.608
_exptl_absorpt_correction_T_max  0.7288
_exptl_absorpt_correction_T_min  0.4307
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             694
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.55
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.341
_refine_diff_density_min         -0.730
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         8601
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0923P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1200
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                6879
_reflns_number_total             8601
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400543v_si_002.cif
_cod_data_source_block           sad
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C33 H56.50 F2.50 Ga Ge N'
_cod_database_code               4081792
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
Ge1 Ge 0.35860(3) 0.30151(2) 0.211347(16) 0.02045(9) Uani 1 1 d .
C11 C 0.4063(3) 0.2937(3) 0.10829(17) 0.0277(5) Uani 1 1 d .
C12 C 0.4196(3) 0.2871(3) 0.04026(18) 0.0275(5) Uani 1 1 d .
C13 C 0.4312(3) 0.2778(3) -0.04417(17) 0.0288(6) Uani 1 1 d .
C14 C 0.3941(4) 0.1415(3) -0.0715(2) 0.0448(8) Uani 1 1 d .
H14A H 0.4592 0.0952 -0.0435 0.054 Uiso 1 1 calc R
H14B H 0.3974 0.1353 -0.1270 0.054 Uiso 1 1 calc R
H14C H 0.3025 0.1086 -0.0610 0.054 Uiso 1 1 calc R
C15 C 0.5774(4) 0.3333(4) -0.0588(2) 0.0487(9) Uani 1 1 d .
H15A H 0.5998 0.4173 -0.0389 0.058 Uiso 1 1 calc R
H15B H 0.5818 0.3319 -0.1144 0.058 Uiso 1 1 calc R
H15C H 0.6424 0.2855 -0.0323 0.058 Uiso 1 1 calc R
C16 C 0.3288(4) 0.3526(4) -0.0906(2) 0.0483(9) Uani 1 1 d .
H16A H 0.2368 0.3219 -0.0800 0.058 Uiso 1 1 calc R
H16B H 0.3321 0.3439 -0.1460 0.058 Uiso 1 1 calc R
H16C H 0.3538 0.4385 -0.0748 0.058 Uiso 1 1 calc R
C21 C 0.4617(3) 0.4469(3) 0.26440(18) 0.0283(6) Uani 1 1 d .
C22 C 0.5258(3) 0.5351(3) 0.30201(17) 0.0270(5) Uani 1 1 d .
C23 C 0.6043(3) 0.6406(3) 0.35178(19) 0.0337(6) Uani 1 1 d .
C24 C 0.5880(6) 0.6126(5) 0.4371(3) 0.0729(15) Uani 1 1 d .
H24A H 0.4933 0.6114 0.4443 0.088 Uiso 1 1 calc R
H24B H 0.6467 0.6756 0.4710 0.088 Uiso 1 1 calc R
H24C H 0.6136 0.5333 0.4498 0.088 Uiso 1 1 calc R
C25 C 0.7607(4) 0.6513(5) 0.3440(3) 0.0610(11) Uani 1 1 d .
H25A H 0.7909 0.5739 0.3573 0.073 Uiso 1 1 calc R
H25B H 0.8135 0.7158 0.3791 0.073 Uiso 1 1 calc R
H25C H 0.7741 0.6708 0.2907 0.073 Uiso 1 1 calc R
C26 C 0.5571(7) 0.7585(4) 0.3254(4) 0.086(2) Uani 1 1 d .
H26A H 0.5657 0.7697 0.2707 0.103 Uiso 1 1 calc R
H26B H 0.6131 0.8268 0.3560 0.103 Uiso 1 1 calc R
H26C H 0.4620 0.7548 0.3326 0.103 Uiso 1 1 calc R
C31 C 0.1689(3) 0.2435(2) 0.22293(16) 0.0225(5) Uani 1 1 d .
C32 C 0.0528(3) 0.2893(3) 0.20060(17) 0.0256(5) Uani 1 1 d .
H32 H -0.0289 0.2383 0.2141 0.031 Uiso 1 1 calc R
C33 C 0.0247(3) 0.4062(3) 0.15807(18) 0.0297(6) Uani 1 1 d .
C34 C -0.0424(4) 0.4832(4) 0.2113(3) 0.0491(9) Uani 1 1 d .
H34A H -0.1227 0.4331 0.2270 0.059 Uiso 1 1 calc R
H34B H -0.0693 0.5532 0.1831 0.059 Uiso 1 1 calc R
H34C H 0.0227 0.5117 0.2573 0.059 Uiso 1 1 calc R
C35 C -0.0796(4) 0.3659(4) 0.0842(2) 0.0510(9) Uani 1 1 d .
H35A H -0.0378 0.3206 0.0489 0.061 Uiso 1 1 calc R
H35B H -0.1068 0.4378 0.0586 0.061 Uiso 1 1 calc R
H35C H -0.1596 0.3139 0.0989 0.061 Uiso 1 1 calc R
C36 C 0.1536(3) 0.4841(3) 0.1345(2) 0.0380(7) Uani 1 1 d .
H36A H 0.2185 0.5105 0.1810 0.046 Uiso 1 1 calc R
H36B H 0.1290 0.5555 0.1070 0.046 Uiso 1 1 calc R
H36C H 0.1950 0.4356 0.1008 0.046 Uiso 1 1 calc R
Ga1 Ga 0.19544(3) 0.07394(2) 0.262028(17) 0.02218(9) Uani 1 1 d .
C01 C 0.1502(3) -0.0556(3) 0.1734(2) 0.0359(7) Uani 1 1 d .
C011 C 0.2278(5) -0.1641(3) 0.1887(3) 0.0541(10) Uani 1 1 d .
H01A H 0.1933 -0.2273 0.1486 0.065 Uiso 1 1 calc R
H01B H 0.2144 -0.1972 0.2394 0.065 Uiso 1 1 calc R
H01C H 0.3248 -0.1363 0.1877 0.065 Uiso 1 1 calc R
C012 C 0.1760(4) -0.0007(4) 0.0938(2) 0.0497(9) Uani 1 1 d .
H01D H 0.2734 0.0278 0.0947 0.060 Uiso 1 1 calc R
H01E H 0.1268 0.0676 0.0837 0.060 Uiso 1 1 calc R
H01F H 0.1441 -0.0631 0.0529 0.060 Uiso 1 1 calc R
C013 C -0.0051(4) -0.1061(4) 0.1665(3) 0.0571(11) Uani 1 1 d .
H01G H -0.0325 -0.1613 0.1214 0.068 Uiso 1 1 calc R
H01H H -0.0562 -0.0385 0.1606 0.068 Uiso 1 1 calc R
H01I H -0.0238 -0.1503 0.2133 0.068 Uiso 1 1 calc R
C02 C 0.1246(3) 0.0284(3) 0.36554(19) 0.0331(6) Uani 1 1 d .
C021 C -0.0308(4) 0.0375(4) 0.3478(2) 0.0441(8) Uani 1 1 d .
H02A H -0.0721 0.0235 0.3952 0.053 Uiso 1 1 calc R
H02B H -0.0759 -0.0238 0.3084 0.053 Uiso 1 1 calc R
H02C H -0.0411 0.1186 0.3290 0.053 Uiso 1 1 calc R
C022 C 0.1861(4) 0.1189(4) 0.4341(2) 0.0444(8) Uani 1 1 d .
H02D H 0.1303 0.1049 0.4758 0.053 Uiso 1 1 calc R
H02E H 0.1878 0.2024 0.4165 0.053 Uiso 1 1 calc R
H02F H 0.2787 0.1064 0.4532 0.053 Uiso 1 1 calc R
C023 C 0.1385(4) -0.1034(3) 0.3915(2) 0.0475(9) Uani 1 1 d .
H02G H 0.2347 -0.1107 0.4021 0.057 Uiso 1 1 calc R
H02H H 0.0927 -0.1615 0.3503 0.057 Uiso 1 1 calc R
H02I H 0.0967 -0.1206 0.4384 0.057 Uiso 1 1 calc R
N1 N 0.4187(2) 0.1613(2) 0.26778(14) 0.0232(4) Uani 1 1 d .
C41 C 0.5100(3) 0.0953(3) 0.2270(2) 0.0309(6) Uani 1 1 d .
H41A H 0.4660 0.0755 0.1739 0.037 Uiso 1 1 calc R
H41B H 0.5182 0.0185 0.2529 0.037 Uiso 1 1 calc R
C42 C 0.6548(3) 0.1669(4) 0.2245(3) 0.0455(8) Uani 1 1 d .
H42A H 0.6484 0.2436 0.1981 0.055 Uiso 1 1 calc R
H42B H 0.7056 0.1183 0.1964 0.055 Uiso 1 1 calc R
H42C H 0.7018 0.1839 0.2773 0.055 Uiso 1 1 calc R
C51 C 0.4833(3) 0.1995(3) 0.35006(18) 0.0314(6) Uani 1 1 d .
H51A H 0.4192 0.2371 0.3753 0.038 Uiso 1 1 calc R
H51B H 0.5642 0.2608 0.3483 0.038 Uiso 1 1 calc R
C52 C 0.5241(4) 0.0920(3) 0.3991(2) 0.0422(8) Uani 1 1 d .
H52A H 0.4504 0.0222 0.3906 0.051 Uiso 1 1 calc R
H52B H 0.5411 0.1162 0.4539 0.051 Uiso 1 1 calc R
H52C H 0.6066 0.0697 0.3837 0.051 Uiso 1 1 calc R
C1 C 0.0299(6) 0.5765(5) 0.5447(3) 0.061(2) Uiso 0.50 1 d PGD
C2 C 0.1315(5) 0.5887(5) 0.4956(3) 0.0453(16) Uiso 0.50 1 d PGD
C3 C 0.1225(6) 0.5033(6) 0.4342(4) 0.085(3) Uiso 0.50 1 d PGD
C4 C 0.0118(7) 0.4056(6) 0.4219(4) 0.080(3) Uiso 0.50 1 d PGD
H4A H 0.0072 0.3474 0.3790 0.096 Uiso 0.50 1 d P
C5 C -0.0898(6) 0.3934(5) 0.4710(4) 0.057(2) Uiso 0.50 1 d PGD
C6 C -0.0808(6) 0.4788(6) 0.5324(4) 0.083(3) Uiso 0.50 1 d PGD
F1 F 0.0589(11) 0.6658(8) 0.6003(5) 0.135(3) Uiso 0.50 1 d PD
F2 F 0.2431(7) 0.6676(6) 0.5051(4) 0.0841(18) Uiso 0.50 1 d PD
F3 F 0.2093(11) 0.4978(11) 0.3886(6) 0.150(4) Uiso 0.50 1 d PD
F5 F -0.1790(9) 0.2937(8) 0.4506(6) 0.123(3) Uiso 0.50 1 d PD
F6 F -0.1786(15) 0.4406(15) 0.5758(9) 0.222(7) Uiso 0.50 1 d PD
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'
N N 0.0061 0.0033 '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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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
C21 Ge1 C11 109.04(13) . .
C21 Ge1 C31 122.06(12) . .
C11 Ge1 C31 116.85(12) . .
C21 Ge1 N1 106.84(11) . .
C11 Ge1 N1 107.12(12) . .
C31 Ge1 N1 91.87(11) . .
C21 Ge1 Ga1 134.29(9) . .
C11 Ge1 Ga1 115.24(9) . .
C31 Ge1 Ga1 43.00(8) . .
N1 Ge1 Ga1 49.85(7) . .
C12 C11 Ge1 172.1(3) . .
C11 C12 C13 178.2(3) . .
C12 C13 C15 110.3(3) . .
C12 C13 C14 109.1(3) . .
C15 C13 C14 111.1(3) . .
C12 C13 C16 108.7(3) . .
C15 C13 C16 108.2(3) . .
C14 C13 C16 109.4(3) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C22 C21 Ge1 176.1(3) . .
C21 C22 C23 177.4(3) . .
C22 C23 C26 110.5(3) . .
C22 C23 C24 108.1(3) . .
C26 C23 C24 112.9(4) . .
C22 C23 C25 108.8(3) . .
C26 C23 C25 108.6(4) . .
C24 C23 C25 107.8(4) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C23 C26 H26A 109.5 . .
C23 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C23 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C32 C31 Ge1 132.4(2) . .
C32 C31 Ga1 130.2(2) . .
Ge1 C31 Ga1 96.57(12) . .
C31 C32 C33 132.6(3) . .
C31 C32 H32 113.7 . .
C33 C32 H32 113.7 . .
C32 C33 C36 113.4(2) . .
C32 C33 C34 108.7(3) . .
C36 C33 C34 109.7(3) . .
C32 C33 C35 107.2(3) . .
C36 C33 C35 109.5(3) . .
C34 C33 C35 108.2(3) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C33 C36 H36A 109.5 . .
C33 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C33 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C31 Ga1 C01 111.75(13) . .
C31 Ga1 C02 115.09(12) . .
C01 Ga1 C02 117.70(14) . .
C31 Ga1 N1 81.02(10) . .
C01 Ga1 N1 108.20(11) . .
C02 Ga1 N1 117.47(11) . .
C31 Ga1 Ge1 40.43(7) . .
C01 Ga1 Ge1 110.38(10) . .
C02 Ga1 Ge1 131.92(10) . .
N1 Ga1 Ge1 41.41(6) . .
C011 C01 C012 109.1(3) . .
C011 C01 C013 107.9(3) . .
C012 C01 C013 106.9(3) . .
C011 C01 Ga1 113.2(3) . .
C012 C01 Ga1 112.4(2) . .
C013 C01 Ga1 107.0(2) . .
C01 C011 H01A 109.5 . .
C01 C011 H01B 109.5 . .
H01A C011 H01B 109.5 . .
C01 C011 H01C 109.5 . .
H01A C011 H01C 109.5 . .
H01B C011 H01C 109.5 . .
C01 C012 H01D 109.5 . .
C01 C012 H01E 109.5 . .
H01D C012 H01E 109.5 . .
C01 C012 H01F 109.5 . .
H01D C012 H01F 109.5 . .
H01E C012 H01F 109.5 . .
C01 C013 H01G 109.5 . .
C01 C013 H01H 109.5 . .
H01G C013 H01H 109.5 . .
C01 C013 H01I 109.5 . .
H01G C013 H01I 109.5 . .
H01H C013 H01I 109.5 . .
C022 C02 C023 109.0(3) . .
C022 C02 C021 106.5(3) . .
C023 C02 C021 108.6(3) . .
C022 C02 Ga1 114.7(2) . .
C023 C02 Ga1 114.0(2) . .
C021 C02 Ga1 103.5(2) . .
C02 C021 H02A 109.5 . .
C02 C021 H02B 109.5 . .
H02A C021 H02B 109.5 . .
C02 C021 H02C 109.5 . .
H02A C021 H02C 109.5 . .
H02B C021 H02C 109.5 . .
C02 C022 H02D 109.5 . .
C02 C022 H02E 109.5 . .
H02D C022 H02E 109.5 . .
C02 C022 H02F 109.5 . .
H02D C022 H02F 109.5 . .
H02E C022 H02F 109.5 . .
C02 C023 H02G 109.5 . .
C02 C023 H02H 109.5 . .
H02G C023 H02H 109.5 . .
C02 C023 H02I 109.5 . .
H02G C023 H02I 109.5 . .
H02H C023 H02I 109.5 . .
C41 N1 C51 111.5(2) . .
C41 N1 Ge1 114.51(18) . .
C51 N1 Ge1 110.53(17) . .
C41 N1 Ga1 117.87(16) . .
C51 N1 Ga1 111.81(18) . .
Ge1 N1 Ga1 88.74(9) . .
N1 C41 C42 115.1(3) . .
N1 C41 H41A 108.5 . .
C42 C41 H41A 108.5 . .
N1 C41 H41B 108.5 . .
C42 C41 H41B 108.5 . .
H41A C41 H41B 107.5 . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
N1 C51 C52 113.1(3) . .
N1 C51 H51A 109.0 . .
C52 C51 H51A 109.0 . .
N1 C51 H51B 109.0 . .
C52 C51 H51B 109.0 . .
H51A C51 H51B 107.8 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C5 C1 C4 134.0(12) 2_566 2_566
C5 C1 F1 86.7(8) 2_566 .
C4 C1 F1 48.0(8) 2_566 .
C5 C1 C2 24.3(7) 2_566 .
C4 C1 C2 158.2(10) 2_566 .
F1 C1 C2 110.6(5) . .
C5 C1 C6 143.9(7) 2_566 .
C4 C1 C6 81.6(10) 2_566 .
F1 C1 C6 129.3(5) . .
C2 C1 C6 120.0 . .
C5 C1 C6 58.1(5) 2_566 2_566
C4 C1 C6 166.6(12) 2_566 2_566
F1 C1 C6 144.7(6) . 2_566
C2 C1 C6 34.1(3) . 2_566
C6 C1 C6 85.9(3) . 2_566
C5 C1 C3 170.2(11) 2_566 2_566
C4 C1 C3 54.0(7) 2_566 2_566
F1 C1 C3 101.9(5) . 2_566
C2 C1 C3 147.5(5) . 2_566
C6 C1 C3 27.5(5) . 2_566
C6 C1 C3 113.3(5) 2_566 2_566
C5 C1 F5 30.5(6) 2_566 2_566
C4 C1 F5 103.7(10) 2_566 2_566
F1 C1 F5 56.3(5) . 2_566
C2 C1 F5 54.6(4) . 2_566
C6 C1 F5 173.8(4) . 2_566
C6 C1 F5 88.5(4) 2_566 2_566
C3 C1 F5 157.6(5) 2_566 2_566
C5 C2 C6 108.7(9) 2_566 2_566
C5 C2 F2 104.4(7) 2_566 .
C6 C2 F2 146.9(8) 2_566 .
C5 C2 C1 21.8(6) 2_566 .
C6 C2 C1 87.4(4) 2_566 .
F2 C2 C1 125.5(5) . .
C5 C2 C3 141.4(6) 2_566 .
C6 C2 C3 32.7(4) 2_566 .
F2 C2 C3 114.2(5) . .
C1 C2 C3 120.0 . .
C5 C2 F6 167.1(14) 2_566 2_566
C6 C2 F6 64.3(6) 2_566 2_566
F2 C2 F6 83.3(7) . 2_566
C1 C2 F6 150.8(6) . 2_566
C3 C2 F6 32.7(6) . 2_566
C5 C2 F5 56.8(6) 2_566 2_566
C6 C2 F5 164.5(8) 2_566 2_566
F2 C2 F5 48.0(4) . 2_566
C1 C2 F5 78.5(5) . 2_566
C3 C2 F5 161.2(5) . 2_566
F6 C2 F5 128.5(7) 2_566 2_566
F6 C3 C6 112.3(13) 2_566 2_566
F6 C3 F3 54.5(11) 2_566 .
C6 C3 F3 165.8(11) 2_566 .
F6 C3 C2 76.0(10) 2_566 .
C6 C3 C2 38.5(6) 2_566 .
F3 C3 C2 127.2(6) . .
F6 C3 C4 158.9(14) 2_566 .
C6 C3 C4 81.6(6) 2_566 .
F3 C3 C4 112.6(6) . .
C2 C3 C4 120.0 . .
F6 C3 C1 160.2(16) 2_566 2_566
C6 C3 C1 54.0(6) 2_566 2_566
F3 C3 C1 140.1(7) . 2_566
C2 C3 C1 92.5(3) . 2_566
C4 C3 C1 27.5(3) . 2_566
C1 C4 F1 95.7(8) 2_566 2_566
C1 C4 C3 98.4(6) 2_566 .
F1 C4 C3 165.1(7) 2_566 .
C1 C4 C5 21.8(6) 2_566 .
F1 C4 C5 74.4(7) 2_566 .
C3 C4 C5 120.0 . .
C1 C4 C6 66.8(5) 2_566 2_566
F1 C4 C6 161.9(8) 2_566 2_566
C3 C4 C6 31.6(3) . 2_566
C5 C4 C6 88.4(3) . 2_566
C1 C4 H4A 142.6 2_566 .
F1 C4 H4A 46.9 2_566 .
C3 C4 H4A 118.8 . .
C5 C4 H4A 121.2 . .
C6 C4 H4A 150.4 2_566 .
C1 C5 C2 134.0(12) 2_566 2_566
C1 C5 F5 133.3(10) 2_566 .
C2 C5 F5 92.5(7) 2_566 .
C1 C5 C6 96.0(6) 2_566 .
C2 C5 C6 38.5(7) 2_566 .
F5 C5 C6 130.7(6) . .
C1 C5 C4 24.3(6) 2_566 .
C2 C5 C4 158.2(7) 2_566 .
F5 C5 C4 109.2(6) . .
C6 C5 C4 120.0 . .
C1 C5 F1 64.3(7) 2_566 2_566
C2 C5 F1 160.3(9) 2_566 2_566
F5 C5 F1 69.0(6) . 2_566
C6 C5 F1 160.2(4) . 2_566
C4 C5 F1 40.5(4) . 2_566
C1 C5 F2 170.8(12) 2_566 2_566
C2 C5 F2 48.1(5) 2_566 2_566
F5 C5 F2 44.8(4) . 2_566
C6 C5 F2 86.6(4) . 2_566
C4 C5 F2 152.9(4) . 2_566
F1 C5 F2 112.6(5) 2_566 2_566
C1 C5 C6 24.0(5) 2_566 2_566
C2 C5 C6 110.4(7) 2_566 2_566
F5 C5 C6 157.2(6) . 2_566
C6 C5 C6 72.0(2) . 2_566
C4 C5 C6 48.0(2) . 2_566
F1 C5 C6 88.3(4) 2_566 2_566
F2 C5 C6 157.7(5) 2_566 2_566
C3 C6 C2 108.7(9) 2_566 2_566
C3 C6 F6 33.8(11) 2_566 .
C2 C6 F6 76.9(8) 2_566 .
C3 C6 C5 141.5(11) 2_566 .
C2 C6 C5 32.7(7) 2_566 .
F6 C6 C5 109.0(7) . .
C3 C6 C1 98.4(11) 2_566 .
C2 C6 C1 152.5(7) 2_566 .
F6 C6 C1 130.5(7) . .
C5 C6 C1 120.0 . .
C3 C6 C4 66.8(8) 2_566 2_566
C2 C6 C4 173.9(13) 2_566 2_566
F6 C6 C4 99.4(7) . 2_566
C5 C6 C4 151.6(4) . 2_566
C1 C6 C4 31.6(4) . 2_566
C3 C6 C1 166.6(14) 2_566 2_566
C2 C6 C1 58.5(7) 2_566 2_566
F6 C6 C1 134.9(8) . 2_566
C5 C6 C1 25.9(3) . 2_566
C1 C6 C1 94.1(3) . 2_566
C4 C6 C1 125.6(6) 2_566 2_566
C3 C6 C5 110.4(10) 2_566 2_566
C2 C6 C5 140.4(7) 2_566 2_566
F6 C6 C5 142.6(7) . 2_566
C5 C6 C5 108.0(3) . 2_566
C1 C6 C5 12.1(3) . 2_566
C4 C6 C5 43.6(3) 2_566 2_566
C1 C6 C5 82.0(4) 2_566 2_566
C4 F1 C1 36.4(5) 2_566 .
C4 F1 C5 65.1(5) 2_566 2_566
C1 F1 C5 29.0(4) . 2_566
C4 F1 F5 115.0(8) 2_566 2_566
C1 F1 F5 79.2(6) . 2_566
C5 F1 F5 50.2(4) 2_566 2_566
F5 F2 C2 78.3(6) 2_566 .
F5 F2 C5 51.0(4) 2_566 2_566
C2 F2 C5 27.6(4) . 2_566
F6 F3 C3 39.4(8) 2_566 .
F2 F5 C5 84.1(6) 2_566 .
F2 F5 C2 53.7(5) 2_566 2_566
C5 F5 C2 30.8(5) . 2_566
F2 F5 F1 142.5(8) 2_566 2_566
C5 F5 F1 60.8(5) . 2_566
C2 F5 F1 91.4(5) 2_566 2_566
F2 F5 C1 100.0(6) 2_566 2_566
C5 F5 C1 16.2(3) . 2_566
C2 F5 C1 47.0(3) 2_566 2_566
F1 F5 C1 44.6(3) 2_566 2_566
C3 F6 F3 86.2(15) 2_566 2_566
C3 F6 C6 33.9(8) 2_566 .
F3 F6 C6 119.8(13) 2_566 .
C3 F6 C2 71.3(9) 2_566 2_566
F3 F6 C2 150.6(18) 2_566 2_566
C6 F6 C2 38.7(5) . 2_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 C21 1.897(3) .
Ge1 C11 1.897(3) .
Ge1 C31 1.917(3) .
Ge1 N1 1.943(2) .
Ge1 Ga1 2.9372(10) .
C11 C12 1.195(4) .
C12 C13 1.472(4) .
C13 C15 1.528(4) .
C13 C14 1.532(4) .
C13 C16 1.540(5) .
C14 H14A 0.9599 .
C14 H14B 0.9599 .
C14 H14C 0.9599 .
C15 H15A 0.9599 .
C15 H15B 0.9599 .
C15 H15C 0.9599 .
C16 H16A 0.9599 .
C16 H16B 0.9599 .
C16 H16C 0.9599 .
C21 C22 1.195(4) .
C22 C23 1.475(4) .
C23 C26 1.491(5) .
C23 C24 1.519(6) .
C23 C25 1.556(6) .
C24 H24A 0.9599 .
C24 H24B 0.9599 .
C24 H24C 0.9599 .
C25 H25A 0.9599 .
C25 H25B 0.9599 .
C25 H25C 0.9599 .
C26 H26A 0.9599 .
C26 H26B 0.9599 .
C26 H26C 0.9599 .
C31 C32 1.334(4) .
C31 Ga1 2.016(3) .
C32 C33 1.517(4) .
C32 H32 0.9600 .
C33 C36 1.518(4) .
C33 C34 1.529(5) .
C33 C35 1.529(5) .
C34 H34A 0.9599 .
C34 H34B 0.9599 .
C34 H34C 0.9599 .
C35 H35A 0.9599 .
C35 H35B 0.9599 .
C35 H35C 0.9599 .
C36 H36A 0.9599 .
C36 H36B 0.9599 .
C36 H36C 0.9599 .
Ga1 C01 2.027(3) .
Ga1 C02 2.030(3) .
Ga1 N1 2.246(2) .
C01 C011 1.519(5) .
C01 C012 1.528(5) .
C01 C013 1.532(5) .
C011 H01A 0.9599 .
C011 H01B 0.9599 .
C011 H01C 0.9599 .
C012 H01D 0.9599 .
C012 H01E 0.9599 .
C012 H01F 0.9599 .
C013 H01G 0.9599 .
C013 H01H 0.9599 .
C013 H01I 0.9599 .
C02 C022 1.526(5) .
C02 C023 1.530(4) .
C02 C021 1.543(5) .
C021 H02A 0.9599 .
C021 H02B 0.9599 .
C021 H02C 0.9599 .
C022 H02D 0.9599 .
C022 H02E 0.9599 .
C022 H02F 0.9599 .
C023 H02G 0.9599 .
C023 H02H 0.9599 .
C023 H02I 0.9599 .
N1 C41 1.489(4) .
N1 C51 1.492(4) .
C41 C42 1.521(4) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C42 H42A 0.9599 .
C42 H42B 0.9599 .
C42 H42C 0.9599 .
C51 C52 1.520(4) .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C52 H52A 0.9599 .
C52 H52B 0.9599 .
C52 H52C 0.9599 .
C1 C5 0.716(11) 2_566
C1 C4 0.793(8) 2_566
C1 F1 1.332(7) .
C1 C2 1.3900 .
C1 C6 1.3900 .
C1 C6 1.629(8) 2_566
C1 C3 1.699(11) 2_566
C1 F5 1.864(10) 2_566
C2 C5 0.793(11) 2_566
C2 C6 0.915(9) 2_566
C2 F2 1.275(6) .
C2 C3 1.3900 .
C2 F6 1.424(13) 2_566
C2 F5 1.550(10) 2_566
C3 F6 0.793(13) 2_566
C3 C6 0.793(7) 2_566
C3 F3 1.248(8) .
C3 C4 1.3900 .
C3 C1 1.699(7) 2_566
C4 C1 0.793(7) 2_566
C4 F1 0.994(10) 2_566
C4 C5 1.3900 .
C4 C6 1.496(9) 2_566
C4 H4A 0.9642 .
C5 C1 0.716(7) 2_566
C5 C2 0.793(13) 2_566
C5 F5 1.298(7) .
C5 C6 1.3900 .
C5 F1 1.475(11) 2_566
C5 F2 1.660(8) 2_566
C5 C6 2.013(8) 2_566
C6 C3 0.793(8) 2_566
C6 C2 0.915(12) 2_566
C6 F6 1.318(8) .
C6 C4 1.496(12) 2_566
C6 C1 1.629(7) 2_566
C6 C5 2.013(10) 2_566
F1 C4 0.994(12) 2_566
F1 C5 1.475(10) 2_566
F1 F5 1.578(13) 2_566
F2 F5 1.176(10) 2_566
F2 C5 1.660(9) 2_566
F3 F6 1.018(15) 2_566
F5 F2 1.176(10) 2_566
F5 C2 1.550(11) 2_566
F5 F1 1.578(12) 2_566
F5 C1 1.864(10) 2_566
F6 C3 0.793(14) 2_566
F6 F3 1.018(15) 2_566
F6 C2 1.424(14) 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
C21 Ge1 C11 C12 -127.3(19) . .
C31 Ge1 C11 C12 16(2) . .
N1 Ge1 C11 C12 117.4(19) . .
Ga1 Ge1 C11 C12 64.3(19) . .
Ge1 C11 C12 C13 -8(11) . .
C11 C12 C13 C15 168(9) . .
C11 C12 C13 C14 -70(10) . .
C11 C12 C13 C16 49(10) . .
C11 Ge1 C21 C22 -155(4) . .
C31 Ge1 C21 C22 64(4) . .
N1 Ge1 C21 C22 -39(4) . .
Ga1 Ge1 C21 C22 11(4) . .
Ge1 C21 C22 C23 3(10) . .
C21 C22 C23 C26 -136(7) . .
C21 C22 C23 C24 -12(7) . .
C21 C22 C23 C25 105(7) . .
C21 Ge1 C31 C32 67.6(3) . .
C11 Ge1 C31 C32 -70.9(3) . .
N1 Ge1 C31 C32 178.8(3) . .
Ga1 Ge1 C31 C32 -170.0(4) . .
C21 Ge1 C31 Ga1 -122.45(13) . .
C11 Ge1 C31 Ga1 99.08(14) . .
N1 Ge1 C31 Ga1 -11.20(11) . .
Ge1 C31 C32 C33 -0.9(5) . .
Ga1 C31 C32 C33 -167.8(2) . .
C31 C32 C33 C36 1.9(5) . .
C31 C32 C33 C34 -120.4(4) . .
C31 C32 C33 C35 122.9(4) . .
C32 C31 Ga1 C01 74.0(3) . .
Ge1 C31 Ga1 C01 -96.32(14) . .
C32 C31 Ga1 C02 -63.7(3) . .
Ge1 C31 Ga1 C02 126.01(13) . .
C32 C31 Ga1 N1 -179.9(3) . .
Ge1 C31 Ga1 N1 9.79(10) . .
C32 C31 Ga1 Ge1 170.3(3) . .
C21 Ge1 Ga1 C31 92.36(17) . .
C11 Ge1 Ga1 C31 -103.10(16) . .
N1 Ge1 Ga1 C31 165.29(15) . .
C21 Ge1 Ga1 C01 -167.66(16) . .
C11 Ge1 Ga1 C01 -3.12(14) . .
C31 Ge1 Ga1 C01 99.98(16) . .
N1 Ge1 Ga1 C01 -94.73(14) . .
C21 Ge1 Ga1 C02 12.44(18) . .
C11 Ge1 Ga1 C02 176.98(15) . .
C31 Ge1 Ga1 C02 -79.92(17) . .
N1 Ge1 Ga1 C02 85.37(15) . .
C21 Ge1 Ga1 N1 -72.93(16) . .
C11 Ge1 Ga1 N1 91.61(14) . .
C31 Ge1 Ga1 N1 -165.29(15) . .
C31 Ga1 C01 C011 153.1(2) . .
C02 Ga1 C01 C011 -70.4(3) . .
N1 Ga1 C01 C011 65.7(3) . .
Ge1 Ga1 C01 C011 109.7(3) . .
C31 Ga1 C01 C012 28.9(3) . .
C02 Ga1 C01 C012 165.4(2) . .
N1 Ga1 C01 C012 -58.5(3) . .
Ge1 Ga1 C01 C012 -14.5(3) . .
C31 Ga1 C01 C013 -88.2(3) . .
C02 Ga1 C01 C013 48.3(3) . .
N1 Ga1 C01 C013 -175.6(3) . .
Ge1 Ga1 C01 C013 -131.6(3) . .
C31 Ga1 C02 C022 -56.7(3) . .
C01 Ga1 C02 C022 168.3(2) . .
N1 Ga1 C02 C022 36.1(3) . .
Ge1 Ga1 C02 C022 -11.9(3) . .
C31 Ga1 C02 C023 176.7(2) . .
C01 Ga1 C02 C023 41.6(3) . .
N1 Ga1 C02 C023 -90.5(3) . .
Ge1 Ga1 C02 C023 -138.5(2) . .
C31 Ga1 C02 C021 58.9(2) . .
C01 Ga1 C02 C021 -76.2(3) . .
N1 Ga1 C02 C021 151.7(2) . .
Ge1 Ga1 C02 C021 103.7(2) . .
C21 Ge1 N1 C41 -105.4(2) . .
C11 Ge1 N1 C41 11.4(2) . .
C31 Ge1 N1 C41 130.23(19) . .
Ga1 Ge1 N1 C41 120.3(2) . .
C21 Ge1 N1 C51 21.5(2) . .
C11 Ge1 N1 C51 138.24(19) . .
C31 Ge1 N1 C51 -102.9(2) . .
Ga1 Ge1 N1 C51 -112.9(2) . .
C21 Ge1 N1 Ga1 134.37(11) . .
C11 Ge1 N1 Ga1 -108.90(11) . .
C31 Ge1 N1 Ga1 9.98(10) . .
C31 Ga1 N1 C41 -126.8(2) . .
C01 Ga1 N1 C41 -16.8(2) . .
C02 Ga1 N1 C41 119.5(2) . .
Ge1 Ga1 N1 C41 -117.2(2) . .
C31 Ga1 N1 C51 102.06(19) . .
C01 Ga1 N1 C51 -147.89(19) . .
C02 Ga1 N1 C51 -11.6(2) . .
Ge1 Ga1 N1 C51 111.7(2) . .
C31 Ga1 N1 Ge1 -9.60(10) . .
C01 Ga1 N1 Ge1 100.46(13) . .
C02 Ga1 N1 Ge1 -123.29(12) . .
C51 N1 C41 C42 -56.0(3) . .
Ge1 N1 C41 C42 70.4(3) . .
Ga1 N1 C41 C42 172.7(2) . .
C41 N1 C51 C52 -55.2(3) . .
Ge1 N1 C51 C52 176.2(2) . .
Ga1 N1 C51 C52 79.1(3) . .
C4 C1 C2 C5 0(3) 2_566 2_566
F1 C1 C2 C5 -10(2) . 2_566
C6 C1 C2 C5 172(3) . 2_566
C6 C1 C2 C5 169(3) 2_566 2_566
C3 C1 C2 C5 169(4) 2_566 2_566
F5 C1 C2 C5 -5(2) 2_566 2_566
C5 C1 C2 C6 -169(3) 2_566 2_566
C4 C1 C2 C6 -169(4) 2_566 2_566
F1 C1 C2 C6 -178.5(11) . 2_566
C6 C1 C2 C6 2.7(7) . 2_566
C3 C1 C2 C6 0.0(16) 2_566 2_566
F5 C1 C2 C6 -173.6(10) 2_566 2_566
C5 C1 C2 F2 15(2) 2_566 .
C4 C1 C2 F2 15(4) 2_566 .
F1 C1 C2 F2 5.1(9) . .
C6 C1 C2 F2 -173.7(7) . .
C6 C1 C2 F2 -176.4(12) 2_566 .
C3 C1 C2 F2 -176.4(15) 2_566 .
F5 C1 C2 F2 10.0(7) 2_566 .
C5 C1 C2 C3 -172(3) 2_566 .
C4 C1 C2 C3 -172(4) 2_566 .
F1 C1 C2 C3 178.9(8) . .
C6 C1 C2 C3 0.0 . .
C6 C1 C2 C3 -2.7(7) 2_566 .
C3 C1 C2 C3 -2.7(14) 2_566 .
F5 C1 C2 C3 -176.3(5) 2_566 .
C5 C1 C2 F6 -155(3) 2_566 2_566
C4 C1 C2 F6 -155(4) 2_566 2_566
F1 C1 C2 F6 -165(2) . 2_566
C6 C1 C2 F6 16.6(19) . 2_566
C6 C1 C2 F6 13.9(17) 2_566 2_566
C3 C1 C2 F6 14(3) 2_566 2_566
F5 C1 C2 F6 -160(2) 2_566 2_566
C5 C1 C2 F5 5(2) 2_566 2_566
C4 C1 C2 F5 5(4) 2_566 2_566
F1 C1 C2 F5 -4.8(7) . 2_566
C6 C1 C2 F5 176.3(5) . 2_566
C6 C1 C2 F5 173.6(10) 2_566 2_566
C3 C1 C2 F5 173.6(16) 2_566 2_566
C5 C2 C3 F6 160(3) 2_566 2_566
C6 C2 C3 F6 160(3) 2_566 2_566
F2 C2 C3 F6 -20.5(17) . 2_566
C1 C2 C3 F6 165.1(18) . 2_566
F5 C2 C3 F6 -4(2) 2_566 2_566
C5 C2 C3 C6 0.0(14) 2_566 2_566
F2 C2 C3 C6 179.4(17) . 2_566
C1 C2 C3 C6 5.0(13) . 2_566
F6 C2 C3 C6 -160(3) 2_566 2_566
F5 C2 C3 C6 -164(2) 2_566 2_566
C5 C2 C3 F3 179.7(19) 2_566 .
C6 C2 C3 F3 180(2) 2_566 .
F2 C2 C3 F3 -0.9(10) . .
C1 C2 C3 F3 -175.3(11) . .
F6 C2 C3 F3 19.6(18) 2_566 .
F5 C2 C3 F3 16.0(19) 2_566 .
C5 C2 C3 C4 -5.0(16) 2_566 .
C6 C2 C3 C4 -5.0(13) 2_566 .
F2 C2 C3 C4 174.4(6) . .
C1 C2 C3 C4 0.0 . .
F6 C2 C3 C4 -165.1(18) 2_566 .
F5 C2 C3 C4 -168.7(17) 2_566 .
C5 C2 C3 C1 -3.5(13) 2_566 2_566
C6 C2 C3 C1 -3.5(11) 2_566 2_566
F2 C2 C3 C1 175.8(8) . 2_566
C1 C2 C3 C1 1.4(4) . 2_566
F6 C2 C3 C1 -163.6(19) 2_566 2_566
F5 C2 C3 C1 -167.3(18) 2_566 2_566
F6 C3 C4 C1 -133(4) 2_566 2_566
C6 C3 C4 C1 0.0(7) 2_566 2_566
F3 C3 C4 C1 179.1(12) . 2_566
C2 C3 C4 C1 3.1(8) . 2_566
F6 C3 C4 F1 29(5) 2_566 2_566
C6 C3 C4 F1 161(4) 2_566 2_566
F3 C3 C4 F1 -19(3) . 2_566
C2 C3 C4 F1 165(4) . 2_566
C1 C3 C4 F1 161(4) 2_566 2_566
F6 C3 C4 C5 -136(4) 2_566 .
C6 C3 C4 C5 -3.1(8) 2_566 .
F3 C3 C4 C5 175.9(9) . .
C2 C3 C4 C5 0.0 . .
C1 C3 C4 C5 -3.1(8) 2_566 .
F6 C3 C4 C6 -133(5) 2_566 2_566
F3 C3 C4 C6 179.1(15) . 2_566
C2 C3 C4 C6 3.1(8) . 2_566
C1 C3 C4 C6 0.0(7) 2_566 2_566
F1 C4 C5 C1 -168(3) 2_566 2_566
C3 C4 C5 C1 8(2) . 2_566
C6 C4 C5 C1 6.7(19) 2_566 2_566
C1 C4 C5 C2 0(2) 2_566 2_566
F1 C4 C5 C2 -168(4) 2_566 2_566
C3 C4 C5 C2 8(4) . 2_566
C6 C4 C5 C2 7(4) 2_566 2_566
C1 C4 C5 F5 174(2) 2_566 .
F1 C4 C5 F5 6.6(9) 2_566 .
C3 C4 C5 F5 -177.5(7) . .
C6 C4 C5 F5 -179.1(9) 2_566 .
C1 C4 C5 C6 -8(2) 2_566 .
F1 C4 C5 C6 -175.9(10) 2_566 .
C3 C4 C5 C6 0.0 . .
C6 C4 C5 C6 -1.6(4) 2_566 .
C1 C4 C5 F1 168(3) 2_566 2_566
C3 C4 C5 F1 175.9(10) . 2_566
C6 C4 C5 F1 174.3(12) 2_566 2_566
C1 C4 C5 F2 160(3) 2_566 2_566
F1 C4 C5 F2 -7.9(12) 2_566 2_566
C3 C4 C5 F2 168.1(11) . 2_566
C6 C4 C5 F2 166.4(12) 2_566 2_566
C1 C4 C5 C6 -6.7(19) 2_566 2_566
F1 C4 C5 C6 -174.3(12) 2_566 2_566
C3 C4 C5 C6 1.6(4) . 2_566
C1 C5 C6 C3 172(3) 2_566 2_566
C2 C5 C6 C3 0.0(14) 2_566 2_566
F5 C5 C6 C3 -8(3) . 2_566
C4 C5 C6 C3 175(3) . 2_566
F1 C5 C6 C3 167(3) 2_566 2_566
F2 C5 C6 C3 0(2) 2_566 2_566
C6 C5 C6 C3 174(3) 2_566 2_566
C1 C5 C6 C2 172(3) 2_566 2_566
F5 C5 C6 C2 -8.2(17) . 2_566
C4 C5 C6 C2 175(2) . 2_566
F1 C5 C6 C2 167(3) 2_566 2_566
F2 C5 C6 C2 0.4(17) 2_566 2_566
C6 C5 C6 C2 174(2) 2_566 2_566
C1 C5 C6 F6 -176.3(17) 2_566 .
C2 C5 C6 F6 12.1(18) 2_566 .
F5 C5 C6 F6 4.0(13) . .
C4 C5 C6 F6 -172.8(12) . .
F1 C5 C6 F6 179(2) 2_566 .
F2 C5 C6 F6 12.6(11) 2_566 .
C6 C5 C6 F6 -174.1(12) 2_566 .
C1 C5 C6 C1 -3.5(9) 2_566 .
C2 C5 C6 C1 -175(2) 2_566 .
F5 C5 C6 C1 176.8(9) . .
C4 C5 C6 C1 0.0 . .
F1 C5 C6 C1 -7.8(19) 2_566 .
F2 C5 C6 C1 -174.6(5) 2_566 .
C6 C5 C6 C1 -1.3(3) 2_566 .
C1 C5 C6 C4 0.0(12) 2_566 2_566
C2 C5 C6 C4 -172(3) 2_566 2_566
F5 C5 C6 C4 -179.7(19) . 2_566
C4 C5 C6 C4 3.5(17) . 2_566
F1 C5 C6 C4 -4(3) 2_566 2_566
F2 C5 C6 C4 -171.1(19) 2_566 2_566
C6 C5 C6 C4 2.2(17) 2_566 2_566
C2 C5 C6 C1 -172(3) 2_566 2_566
F5 C5 C6 C1 -179.7(15) . 2_566
C4 C5 C6 C1 3.5(9) . 2_566
F1 C5 C6 C1 -4.4(18) 2_566 2_566
F2 C5 C6 C1 -171.1(12) 2_566 2_566
C6 C5 C6 C1 2.2(7) 2_566 2_566
C1 C5 C6 C5 -2.2(7) 2_566 2_566
C2 C5 C6 C5 -174(2) 2_566 2_566
F5 C5 C6 C5 178.1(9) . 2_566
C4 C5 C6 C5 1.3(4) . 2_566
F1 C5 C6 C5 -7(2) 2_566 2_566
F2 C5 C6 C5 -173.3(7) 2_566 2_566
C6 C5 C6 C5 0.0(4) 2_566 2_566
C5 C1 C6 C3 -171(3) 2_566 2_566
C4 C1 C6 C3 0.0(7) 2_566 2_566
F1 C1 C6 C3 4.5(14) . 2_566
C2 C1 C6 C3 -176.9(17) . 2_566
C6 C1 C6 C3 -175.4(17) 2_566 2_566
F5 C1 C6 C3 -148(5) 2_566 2_566
C5 C1 C6 C2 0(3) 2_566 2_566
C4 C1 C6 C2 171(4) 2_566 2_566
F1 C1 C6 C2 176(3) . 2_566
C2 C1 C6 C2 -6(2) . 2_566
C6 C1 C6 C2 -4(2) 2_566 2_566
C3 C1 C6 C2 171(4) 2_566 2_566
F5 C1 C6 C2 23(5) 2_566 2_566
C5 C1 C6 F6 177(3) 2_566 .
C4 C1 C6 F6 -12.0(14) 2_566 .
F1 C1 C6 F6 -7.5(15) . .
C2 C1 C6 F6 171.1(15) . .
C6 C1 C6 F6 172.6(15) 2_566 .
C3 C1 C6 F6 -12.0(14) 2_566 .
F5 C1 C6 F6 -160(4) 2_566 .
C5 C1 C6 C5 5.8(18) 2_566 .
C4 C1 C6 C5 176.9(15) 2_566 .
F1 C1 C6 C5 -178.6(9) . .
C2 C1 C6 C5 0.0 . .
C6 C1 C6 C5 1.5(4) 2_566 .
C3 C1 C6 C5 176.9(17) 2_566 .
F5 C1 C6 C5 29(4) 2_566 .
C5 C1 C6 C4 -171(3) 2_566 2_566
F1 C1 C6 C4 4.5(11) . 2_566
C2 C1 C6 C4 -176.9(15) . 2_566
C6 C1 C6 C4 -175.4(16) 2_566 2_566
C3 C1 C6 C4 0.0(7) 2_566 2_566
F5 C1 C6 C4 -148(5) 2_566 2_566
C5 C1 C6 C1 4.3(16) 2_566 2_566
C4 C1 C6 C1 175.4(18) 2_566 2_566
F1 C1 C6 C1 179.9(11) . 2_566
C2 C1 C6 C1 -1.5(4) . 2_566
C6 C1 C6 C1 0.0(3) 2_566 2_566
C3 C1 C6 C1 175(2) 2_566 2_566
F5 C1 C6 C1 27(4) 2_566 2_566
C4 C1 C6 C5 171(3) 2_566 2_566
F1 C1 C6 C5 176(3) . 2_566
C2 C1 C6 C5 -5.8(18) . 2_566
C6 C1 C6 C5 -4.3(17) 2_566 2_566
C3 C1 C6 C5 171(3) 2_566 2_566
F5 C1 C6 C5 23(3) 2_566 2_566
C5 C1 F1 C4 171(2) 2_566 2_566
C2 C1 F1 C4 175.3(18) . 2_566
C6 C1 F1 C4 -6.0(15) . 2_566
C6 C1 F1 C4 174(2) 2_566 2_566
C3 C1 F1 C4 -3.9(9) 2_566 2_566
F5 C1 F1 C4 170.5(17) 2_566 2_566
C4 C1 F1 C5 -171(2) 2_566 2_566
C2 C1 F1 C5 3.9(9) . 2_566
C6 C1 F1 C5 -177.4(15) . 2_566
C6 C1 F1 C5 2.4(7) 2_566 2_566
C3 C1 F1 C5 -175.2(17) 2_566 2_566
F5 C1 F1 C5 -0.8(11) 2_566 2_566
C5 C1 F1 F5 0.8(11) 2_566 2_566
C4 C1 F1 F5 -170.5(17) 2_566 2_566
C2 C1 F1 F5 4.7(7) . 2_566
C6 C1 F1 F5 -176.6(6) . 2_566
C6 C1 F1 F5 3.2(15) 2_566 2_566
C3 C1 F1 F5 -174.4(9) 2_566 2_566
C5 C2 F2 F5 -7.6(12) 2_566 2_566
C6 C2 F2 F5 173.4(19) 2_566 2_566
C1 C2 F2 F5 -13.2(9) . 2_566
C3 C2 F2 F5 172.8(6) . 2_566
F6 C2 F2 F5 161.8(11) 2_566 2_566
C6 C2 F2 C5 -179(3) 2_566 2_566
C1 C2 F2 C5 -5.6(9) . 2_566
C3 C2 F2 C5 -179.6(13) . 2_566
F6 C2 F2 C5 169.4(15) 2_566 2_566
F5 C2 F2 C5 7.6(12) 2_566 2_566
C6 C3 F3 F6 -23(6) 2_566 2_566
C2 C3 F3 F6 -24(2) . 2_566
C4 C3 F3 F6 161(2) . 2_566
C1 C3 F3 F6 161(2) 2_566 2_566
C1 C5 F5 F2 -167.4(17) 2_566 2_566
C2 C5 F5 F2 7.1(13) 2_566 2_566
C6 C5 F5 F2 12.2(10) . 2_566
C4 C5 F5 F2 -170.7(6) . 2_566
F1 C5 F5 F2 -166.1(9) 2_566 2_566
C6 C5 F5 F2 -172.4(18) 2_566 2_566
C1 C5 F5 C2 -175(3) 2_566 2_566
C6 C5 F5 C2 5.1(11) . 2_566
C4 C5 F5 C2 -177.8(15) . 2_566
F1 C5 F5 C2 -173.2(15) 2_566 2_566
F2 C5 F5 C2 -7.1(13) 2_566 2_566
C6 C5 F5 C2 -180(3) 2_566 2_566
C1 C5 F5 F1 -1.3(16) 2_566 2_566
C2 C5 F5 F1 173.2(15) 2_566 2_566
C6 C5 F5 F1 178.3(9) . 2_566
C4 C5 F5 F1 -4.6(6) . 2_566
F2 C5 F5 F1 166.1(9) 2_566 2_566
C6 C5 F5 F1 -6.3(19) 2_566 2_566
C2 C5 F5 C1 175(3) 2_566 2_566
C6 C5 F5 C1 180(2) . 2_566
C4 C5 F5 C1 -3.3(14) . 2_566
F1 C5 F5 C1 1.3(16) 2_566 2_566
F2 C5 F5 C1 167.4(17) 2_566 2_566
C6 C5 F5 C1 -5.0(10) 2_566 2_566
C2 C6 F6 C3 -160(3) 2_566 2_566
C5 C6 F6 C3 -166(2) . 2_566
C1 C6 F6 C3 22(2) . 2_566
C4 C6 F6 C3 15.4(18) 2_566 2_566
C1 C6 F6 C3 -169(3) 2_566 2_566
C5 C6 F6 C3 23(2) 2_566 2_566
C3 C6 F6 F3 7(2) 2_566 2_566
C2 C6 F6 F3 -153(2) 2_566 2_566
C5 C6 F6 F3 -159.6(18) . 2_566
C1 C6 F6 F3 29(3) . 2_566
C4 C6 F6 F3 22(3) 2_566 2_566
C1 C6 F6 F3 -161.9(16) 2_566 2_566
C5 C6 F6 F3 30(3) 2_566 2_566
C3 C6 F6 C2 160(3) 2_566 2_566
C5 C6 F6 C2 -6.7(10) . 2_566
C1 C6 F6 C2 -178.5(16) . 2_566
C4 C6 F6 C2 175.1(17) 2_566 2_566
C1 C6 F6 C2 -9.0(12) 2_566 2_566
C5 C6 F6 C2 -177(2) 2_566 2_566
