#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:37:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180047 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/41/7034130.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_7034130
loop_
_publ_author_name
'Sobieray, Miriam'
'Gode, Jens'
'Seidel, Christiane'
'Poß, Marieke'
'Feldmann, Claus'
'Ruschewitz, Uwe'
_publ_section_title
;
 Bright luminescence in lanthanide coordination polymers with
 tetrafluoroterephthalate as a bridging ligand.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6249
_journal_page_last               6259
_journal_paper_doi               10.1039/c4dt03733b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C17 H21 F4 Ho N4 O10'
_chemical_formula_weight         682.31
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-08-28 deposited with the CCDC.
2015-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 111.38(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.047(4)
_cell_length_b                   11.3219(15)
_cell_length_c                   20.515(6)
_cell_measurement_temperature    293(2)
_cell_volume                     4768.4(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.697
_diffrn_measured_fraction_theta_max 0.697
_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  0.1020
_diffrn_reflns_av_sigmaI/netI    0.1077
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            10838
_diffrn_reflns_theta_full        28.16
_diffrn_reflns_theta_max         28.16
_diffrn_reflns_theta_min         2.69
_exptl_absorpt_coefficient_mu    3.409
_exptl_absorpt_correction_T_max  0.2815
_exptl_absorpt_correction_T_min  0.0884
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red, X-Shape'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.901
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2671
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.954
_refine_diff_density_min         -3.225
_refine_diff_density_rms         0.267
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.915
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4073
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.915
_refine_ls_R_factor_all          0.1003
_refine_ls_R_factor_gt           0.0698
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1206P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1689
_refine_ls_wR_factor_ref         0.1798
_reflns_number_gt                2616
_reflns_number_total             4073
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4dt03733b2.cif
_cod_data_source_block           ms093
_cod_depositor_comments
'Adding full bibliography for 7034127--7034136.cif.'
_cod_original_cell_volume        4768.4(18)
_cod_original_sg_symbol_H-M      'C2 /c'
_cod_database_code               7034130
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'
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
Ho1 Ho 0.40318(2) 0.46188(4) 0.69753(2) 0.02057(18) Uani 1 1 d .
F3 F 0.4239(5) 0.0781(8) 0.8062(6) 0.053(3) Uani 1 1 d .
F4 F 0.4221(5) -0.1541(8) 0.8033(6) 0.056(3) Uani 1 1 d .
F9 F 0.4974(5) 0.6897(8) 0.5791(4) 0.052(2) Uani 1 1 d .
F10 F 0.5441(4) 0.2877(7) 0.5601(4) 0.046(2) Uani 1 1 d .
O1 O 0.4451(4) 0.2716(7) 0.7277(5) 0.0305(19) Uani 1 1 d .
O6 O 0.4452(4) -0.3472(7) 0.7239(5) 0.036(2) Uani 1 1 d .
O7A O 0.5019(4) 0.4640(8) 0.6800(4) 0.0279(18) Uani 1 1 d .
O7B O 0.6031(4) 0.4746(10) 0.6868(5) 0.040(2) Uani 1 1 d .
O11 O 0.3114(5) 0.5817(9) 0.6733(5) 0.038(2) Uani 1 1 d .
O14 O 0.3143(5) 0.3405(9) 0.6890(7) 0.047(3) Uani 1 1 d .
O17 O 0.3513(10) -0.085(2) 0.5951(12) 0.128(8) Uani 1 1 d .
O21 O 0.3788(6) 0.3495(10) 0.5885(6) 0.060(3) Uani 1 1 d .
O22 O 0.3557(6) 0.4231(13) 0.4854(5) 0.067(4) Uani 1 1 d .
O23 O 0.3732(6) 0.5355(10) 0.5760(6) 0.051(3) Uani 1 1 d .
N11 N 0.2273(5) 0.6976(11) 0.6097(7) 0.043(3) Uani 1 1 d .
N14 N 0.2550(6) 0.1773(12) 0.6830(7) 0.041(3) Uani 1 1 d .
N17 N 0.3718(8) 0.0538(16) 0.5261(10) 0.070(4) Uani 1 1 d .
N20 N 0.3679(5) 0.4360(11) 0.5478(5) 0.038(3) Uani 1 1 d .
C1 C 0.5000 0.2212(13) 0.7500 0.025(3) Uani 1 2 d S
C2 C 0.5000 0.0876(15) 0.7500 0.027(3) Uani 1 2 d S
C3 C 0.4612(6) 0.0218(10) 0.7772(7) 0.029(3) Uani 1 1 d .
C4 C 0.4606(6) -0.0989(11) 0.7767(7) 0.031(3) Uani 1 1 d .
C5 C 0.5000 -0.1649(15) 0.7500 0.027(3) Uani 1 2 d S
C6 C 0.5000 -0.2977(15) 0.7500 0.030(4) Uani 1 2 d S
C7 C 0.5452(5) 0.4762(12) 0.6529(5) 0.026(3) Uani 1 1 d .
C8 C 0.5209(5) 0.4888(12) 0.5731(6) 0.028(3) Uani 1 1 d .
C9 C 0.4982(6) 0.5944(12) 0.5410(6) 0.033(3) Uani 1 1 d .
C10 C 0.5228(6) 0.3934(12) 0.5309(6) 0.032(3) Uani 1 1 d .
C11 C 0.2880(6) 0.6654(13) 0.6321(7) 0.038(3) Uani 1 1 d .
H11 H 0.3161 0.7077 0.6162 0.07(3) Uiso 1 1 calc R
C12 C 0.1799(8) 0.6364(19) 0.6303(10) 0.065(5) Uani 1 1 d .
H12A H 0.1976 0.5622 0.6514 0.073(14) Uiso 1 1 calc R
H12B H 0.1414 0.6226 0.5899 0.073(14) Uiso 1 1 calc R
H12C H 0.1692 0.6836 0.6635 0.073(14) Uiso 1 1 calc R
C13 C 0.2028(8) 0.7935(16) 0.5591(10) 0.060(5) Uani 1 1 d .
H13A H 0.2381 0.8267 0.5483 0.073(14) Uiso 1 1 calc R
H13B H 0.1838 0.8535 0.5787 0.073(14) Uiso 1 1 calc R
H13C H 0.1704 0.7631 0.5171 0.073(14) Uiso 1 1 calc R
C14 C 0.3070(7) 0.2317(14) 0.6839(8) 0.040(3) Uani 1 1 d .
H14 H 0.3409 0.1865 0.6806 0.07(3) Uiso 1 1 calc R
C15 C 0.2487(8) 0.0503(14) 0.6784(9) 0.050(4) Uani 1 1 d .
H15A H 0.2908 0.0153 0.6882 0.073(14) Uiso 1 1 calc R
H15B H 0.2203 0.0284 0.6321 0.073(14) Uiso 1 1 calc R
H15C H 0.2309 0.0226 0.7119 0.073(14) Uiso 1 1 calc R
C16 C 0.1978(7) 0.2406(15) 0.6862(10) 0.055(4) Uani 1 1 d .
H16A H 0.2115 0.3138 0.7108 0.073(14) Uiso 1 1 calc R
H16B H 0.1768 0.1929 0.7104 0.073(14) Uiso 1 1 calc R
H16C H 0.1679 0.2562 0.6396 0.073(14) Uiso 1 1 calc R
C17 C 0.3873(12) -0.035(2) 0.5706(13) 0.086(7) Uani 1 1 d .
H17 H 0.4300 -0.0620 0.5850 0.07(3) Uiso 1 1 calc R
C18 C 0.4188(13) 0.110(2) 0.5033(17) 0.108(9) Uani 1 1 d .
H18A H 0.4279 0.1876 0.5231 0.073(14) Uiso 1 1 calc R
H18B H 0.4019 0.1153 0.4531 0.073(14) Uiso 1 1 calc R
H18C H 0.4582 0.0641 0.5184 0.073(14) Uiso 1 1 calc R
C19 C 0.3047(11) 0.096(2) 0.4980(14) 0.089(7) Uani 1 1 d .
H19A H 0.2828 0.0626 0.4524 0.073(14) Uiso 1 1 calc R
H19B H 0.3045 0.1806 0.4945 0.073(14) Uiso 1 1 calc R
H19C H 0.2827 0.0728 0.5286 0.073(14) Uiso 1 1 calc R
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 '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'
O O 0.0106 0.0060 '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'
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
O7A Ho1 O11 138.3(3) . .
O7A Ho1 O1 75.5(3) . .
O11 Ho1 O1 145.2(3) . .
O7A Ho1 O6 73.3(3) . 1_565
O11 Ho1 O6 75.6(3) . 1_565
O1 Ho1 O6 135.0(3) . 1_565
O7A Ho1 O14 142.7(3) . .
O11 Ho1 O14 71.9(4) . .
O1 Ho1 O14 73.7(3) . .
O6 Ho1 O14 144.0(3) 1_565 .
O7A Ho1 O7B 122.6(3) . 2_656
O11 Ho1 O7B 79.7(3) . 2_656
O1 Ho1 O7B 87.4(3) . 2_656
O6 Ho1 O7B 83.0(3) 1_565 2_656
O14 Ho1 O7B 76.4(4) . 2_656
O7A Ho1 O21 76.8(4) . .
O11 Ho1 O21 102.8(4) . .
O1 Ho1 O21 72.4(4) . .
O6 Ho1 O21 128.8(3) 1_565 .
O14 Ho1 O21 74.3(4) . .
O7B Ho1 O21 148.0(4) 2_656 .
O7A Ho1 O23 76.3(3) . .
O11 Ho1 O23 72.4(3) . .
O1 Ho1 O23 120.7(3) . .
O6 Ho1 O23 81.9(4) 1_565 .
O14 Ho1 O23 102.3(4) . .
O7B Ho1 O23 150.8(3) 2_656 .
O21 Ho1 O23 50.9(4) . .
O7A Ho1 O7A 71.5(3) . 2_656
O11 Ho1 O7A 121.8(3) . 2_656
O1 Ho1 O7A 69.8(3) . 2_656
O6 Ho1 O7A 70.0(3) 1_565 2_656
O14 Ho1 O7A 115.5(4) . 2_656
O7B Ho1 O7A 51.2(3) 2_656 2_656
O21 Ho1 O7A 135.3(4) . 2_656
O23 Ho1 O7A 142.0(3) . 2_656
O7A Ho1 C7 97.8(3) . 2_656
O11 Ho1 C7 99.8(3) . 2_656
O1 Ho1 C7 78.7(3) . 2_656
O6 Ho1 C7 74.4(4) 1_565 2_656
O14 Ho1 C7 96.2(4) . 2_656
O7B Ho1 C7 24.8(3) 2_656 2_656
O21 Ho1 C7 151.1(4) . 2_656
O23 Ho1 C7 156.2(4) . 2_656
O7A Ho1 C7 26.5(3) 2_656 2_656
O7A Ho1 N20 75.1(3) . .
O11 Ho1 N20 87.5(3) . .
O1 Ho1 N20 96.6(3) . .
O6 Ho1 N20 105.6(3) 1_565 .
O14 Ho1 N20 88.2(4) . .
O7B Ho1 N20 162.3(3) 2_656 .
O21 Ho1 N20 25.4(4) . .
O23 Ho1 N20 25.5(3) . .
O7A Ho1 N20 146.1(3) 2_656 .
C7 Ho1 N20 172.4(3) 2_656 .
C1 O1 Ho1 138.3(8) . .
C6 O6 Ho1 138.3(9) . 1_545
C7 O7A Ho1 163.2(8) . .
C7 O7A Ho1 87.5(6) . 2_656
Ho1 O7A Ho1 108.5(3) . 2_656
C7 O7B Ho1 98.0(7) . 2_656
C11 O11 Ho1 134.3(9) . .
C14 O14 Ho1 131.8(9) . .
N20 O21 Ho1 97.3(8) . .
N20 O23 Ho1 96.2(8) . .
C11 N11 C12 121.7(13) . .
C11 N11 C13 121.8(13) . .
C12 N11 C13 116.4(12) . .
C14 N14 C15 122.6(14) . .
C14 N14 C16 122.4(14) . .
C15 N14 C16 115.0(12) . .
C17 N17 C18 122(2) . .
C17 N17 C19 119.5(19) . .
C18 N17 C19 118(2) . .
O22 N20 O23 122.8(13) . .
O22 N20 O21 121.5(13) . .
O23 N20 O21 115.6(10) . .
O22 N20 Ho1 177.2(10) . .
O23 N20 Ho1 58.3(6) . .
O21 N20 Ho1 57.3(6) . .
O1 C1 O1 126.3(14) 2_656 .
O1 C1 C2 116.9(7) 2_656 .
O1 C1 C2 116.9(7) . .
C3 C2 C3 115.5(15) 2_656 .
C3 C2 C1 122.2(8) 2_656 .
C3 C2 C1 122.2(8) . .
F3 C3 C4 118.4(10) . .
F3 C3 C2 119.3(11) . .
C4 C3 C2 122.3(11) . .
F4 C4 C3 118.3(11) . .
F4 C4 C5 119.5(12) . .
C3 C4 C5 122.2(11) . .
C4 C5 C4 115.4(16) 2_656 .
C4 C5 C6 122.3(8) 2_656 .
C4 C5 C6 122.3(8) . .
O6 C6 O6 127.3(16) 2_656 .
O6 C6 C5 116.4(8) 2_656 .
O6 C6 C5 116.4(8) . .
O7B C7 O7A 123.2(10) . .
O7B C7 C8 120.0(10) . .
O7A C7 C8 116.7(10) . .
O7B C7 Ho1 57.3(6) . 2_656
O7A C7 Ho1 66.1(6) . 2_656
C8 C7 Ho1 176.6(8) . 2_656
C9 C8 C10 117.8(11) . .
C9 C8 C7 121.3(12) . .
C10 C8 C7 120.8(11) . .
F9 C9 C8 120.3(10) . .
F9 C9 C10 118.2(12) . 5_666
C8 C9 C10 121.5(12) . 5_666
F10 C10 C9 119.4(12) . 5_666
F10 C10 C8 119.9(10) . .
C9 C10 C8 120.7(12) 5_666 .
O11 C11 N11 124.8(13) . .
O11 C11 H11 117.6 . .
N11 C11 H11 117.6 . .
N11 C12 H12A 109.5 . .
N11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N11 C13 H13A 109.5 . .
N11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
N11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
O14 C14 N14 124.1(14) . .
O14 C14 H14 117.9 . .
N14 C14 H14 117.9 . .
N14 C15 H15A 109.5 . .
N14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N14 C16 H16A 109.5 . .
N14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
N14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O17 C17 N17 127(2) . .
O17 C17 H17 116.6 . .
N17 C17 H17 116.6 . .
N17 C18 H18A 109.5 . .
N17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N17 C19 H19A 109.5 . .
N17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O7A 2.331(8) .
Ho1 O11 2.334(10) .
Ho1 O1 2.336(8) .
Ho1 O6 2.337(9) 1_565
Ho1 O14 2.347(10) .
Ho1 O7B 2.432(9) 2_656
Ho1 O21 2.457(11) .
Ho1 O23 2.479(11) .
Ho1 O7A 2.619(9) 2_656
Ho1 C7 2.863(10) 2_656
Ho1 N20 2.896(10) .
Ho1 Ho1 4.0199(11) 2_656
F3 C3 1.339(13) .
F4 C4 1.323(14) .
F9 C9 1.336(15) .
F10 C10 1.345(15) .
O1 C1 1.264(10) .
O6 C6 1.260(11) .
O6 Ho1 2.337(9) 1_545
O7A C7 1.277(13) .
O7A Ho1 2.619(9) 2_656
O7B C7 1.211(14) .
O7B Ho1 2.432(9) 2_656
O11 C11 1.249(17) .
O14 C14 1.242(19) .
O17 C17 1.22(3) .
O21 N20 1.253(16) .
O22 N20 1.218(14) .
O23 N20 1.252(16) .
N11 C11 1.298(16) .
N11 C12 1.440(19) .
N11 C13 1.46(2) .
N14 C14 1.294(18) .
N14 C15 1.445(19) .
N14 C16 1.473(19) .
N17 C17 1.32(3) .
N17 C18 1.43(3) .
N17 C19 1.46(3) .
C1 O1 1.264(10) 2_656
C1 C2 1.51(2) .
C2 C3 1.396(14) 2_656
C2 C3 1.396(14) .
C3 C4 1.366(17) .
C4 C5 1.399(15) .
C5 C4 1.399(15) 2_656
C5 C6 1.50(2) .
C6 O6 1.260(11) 2_656
C7 C8 1.532(14) .
C7 Ho1 2.863(10) 2_656
C8 C9 1.368(18) .
C8 C10 1.394(18) .
C9 C10 1.383(16) 5_666
C10 C9 1.383(16) 5_666
C11 H11 0.9300 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14 0.9300 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17 0.9300 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
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
O7A Ho1 O1 C1 26.4(8) . .
O11 Ho1 O1 C1 -165.9(7) . .
O6 Ho1 O1 C1 -20.9(11) 1_565 .
O14 Ho1 O1 C1 -174.8(10) . .
O7B Ho1 O1 C1 -98.3(9) 2_656 .
O21 Ho1 O1 C1 106.9(9) . .
O23 Ho1 O1 C1 90.4(9) . .
O7A Ho1 O1 C1 -48.9(8) 2_656 .
C7 Ho1 O1 C1 -74.8(9) 2_656 .
N20 Ho1 O1 C1 99.1(9) . .
O11 Ho1 O7A C7 -42(3) . .
O1 Ho1 O7A C7 127(3) . .
O6 Ho1 O7A C7 -86(3) 1_565 .
O14 Ho1 O7A C7 92(3) . .
O7B Ho1 O7A C7 -156(3) 2_656 .
O21 Ho1 O7A C7 52(3) . .
O23 Ho1 O7A C7 0(3) . .
O7A Ho1 O7A C7 -160(3) 2_656 .
C7 Ho1 O7A C7 -157(3) 2_656 .
N20 Ho1 O7A C7 26(3) . .
O11 Ho1 O7A Ho1 118.5(5) . 2_656
O1 Ho1 O7A Ho1 -72.0(3) . 2_656
O6 Ho1 O7A Ho1 75.1(4) 1_565 2_656
O14 Ho1 O7A Ho1 -107.0(6) . 2_656
O7B Ho1 O7A Ho1 5.2(5) 2_656 2_656
O21 Ho1 O7A Ho1 -146.9(4) . 2_656
O23 Ho1 O7A Ho1 160.7(4) . 2_656
O7A Ho1 O7A Ho1 1.1(4) 2_656 2_656
C7 Ho1 O7A Ho1 4.1(4) 2_656 2_656
N20 Ho1 O7A Ho1 -173.1(4) . 2_656
O7A Ho1 O11 C11 17.9(16) . .
O1 Ho1 O11 C11 -144.1(12) . .
O6 Ho1 O11 C11 60.6(13) 1_565 .
O14 Ho1 O11 C11 -135.1(14) . .
O7B Ho1 O11 C11 146.0(14) 2_656 .
O21 Ho1 O11 C11 -66.6(14) . .
O23 Ho1 O11 C11 -25.3(13) . .
O7A Ho1 O11 C11 115.6(13) 2_656 .
C7 Ho1 O11 C11 131.5(14) 2_656 .
N20 Ho1 O11 C11 -46.2(13) . .
O7A Ho1 O14 C14 16.7(17) . .
O11 Ho1 O14 C14 166.7(15) . .
O1 Ho1 O14 C14 -18.6(13) . .
O6 Ho1 O14 C14 -166.7(12) 1_565 .
O7B Ho1 O14 C14 -109.9(14) 2_656 .
O21 Ho1 O14 C14 57.2(14) . .
O23 Ho1 O14 C14 100.1(14) . .
O7A Ho1 O14 C14 -76.0(14) 2_656 .
C7 Ho1 O14 C14 -94.9(14) 2_656 .
N20 Ho1 O14 C14 78.8(14) . .
O7A Ho1 O21 N20 -82.9(9) . .
O11 Ho1 O21 N20 54.2(9) . .
O1 Ho1 O21 N20 -161.6(9) . .
O6 Ho1 O21 N20 -27.5(11) 1_565 .
O14 Ho1 O21 N20 120.9(9) . .
O7B Ho1 O21 N20 145.2(8) 2_656 .
O23 Ho1 O21 N20 0.0(8) . .
O7A Ho1 O21 N20 -128.5(8) 2_656 .
C7 Ho1 O21 N20 -165.2(7) 2_656 .
O7A Ho1 O23 N20 84.0(8) . .
O11 Ho1 O23 N20 -124.0(9) . .
O1 Ho1 O23 N20 20.4(9) . .
O6 Ho1 O23 N20 158.6(8) 1_565 .
O14 Ho1 O23 N20 -57.8(8) . .
O7B Ho1 O23 N20 -141.7(8) 2_656 .
O21 Ho1 O23 N20 0.0(8) . .
O7A Ho1 O23 N20 116.6(8) 2_656 .
C7 Ho1 O23 N20 162.1(8) 2_656 .
Ho1 O23 N20 O22 -177.0(12) . .
Ho1 O23 N20 O21 0.1(13) . .
Ho1 O21 N20 O22 177.0(11) . .
Ho1 O21 N20 O23 -0.1(13) . .
O7A Ho1 N20 O23 -89.4(8) . .
O11 Ho1 N20 O23 52.3(8) . .
O1 Ho1 N20 O23 -162.5(8) . .
O6 Ho1 N20 O23 -22.0(9) 1_565 .
O14 Ho1 N20 O23 124.2(8) . .
O7B Ho1 N20 O23 95.4(13) 2_656 .
O21 Ho1 N20 O23 179.9(14) . .
O7A Ho1 N20 O23 -99.3(9) 2_656 .
O7A Ho1 N20 O21 90.6(9) . .
O11 Ho1 N20 O21 -127.7(9) . .
O1 Ho1 N20 O21 17.6(9) . .
O6 Ho1 N20 O21 158.1(9) 1_565 .
O14 Ho1 N20 O21 -55.7(9) . .
O7B Ho1 N20 O21 -84.5(15) 2_656 .
O23 Ho1 N20 O21 -179.9(14) . .
O7A Ho1 N20 O21 80.7(10) 2_656 .
Ho1 O1 C1 O1 10.0(6) . 2_656
Ho1 O1 C1 C2 -170.0(6) . .
O1 C1 C2 C3 -48.4(8) 2_656 2_656
O1 C1 C2 C3 131.6(8) . 2_656
O1 C1 C2 C3 131.6(8) 2_656 .
O1 C1 C2 C3 -48.4(8) . .
C3 C2 C3 F3 178.0(15) 2_656 .
C1 C2 C3 F3 -2.0(15) . .
C3 C2 C3 C4 -0.6(10) 2_656 .
C1 C2 C3 C4 179.4(10) . .
F3 C3 C4 F4 2(2) . .
C2 C3 C4 F4 -179.7(11) . .
F3 C3 C4 C5 -177.4(11) . .
C2 C3 C4 C5 1(2) . .
F4 C4 C5 C4 -179.6(15) . 2_656
C3 C4 C5 C4 -0.6(10) . 2_656
F4 C4 C5 C6 0.4(15) . .
C3 C4 C5 C6 179.4(10) . .
Ho1 O6 C6 O6 -4.8(6) 1_545 2_656
Ho1 O6 C6 C5 175.2(6) 1_545 .
C4 C5 C6 O6 51.7(8) 2_656 2_656
C4 C5 C6 O6 -128.3(8) . 2_656
C4 C5 C6 O6 -128.3(8) 2_656 .
C4 C5 C6 O6 51.7(8) . .
Ho1 O7B C7 O7A -4.7(15) 2_656 .
Ho1 O7B C7 C8 177.6(11) 2_656 .
Ho1 O7A C7 O7B 166(2) . .
Ho1 O7A C7 O7B 4.3(14) 2_656 .
Ho1 O7A C7 C8 -16(4) . .
Ho1 O7A C7 C8 -177.9(11) 2_656 .
Ho1 O7A C7 Ho1 162(3) . 2_656
O7B C7 C8 C9 -102.0(16) . .
O7A C7 C8 C9 80.2(16) . .
O7B C7 C8 C10 76.3(17) . .
O7A C7 C8 C10 -101.5(14) . .
C10 C8 C9 F9 -177.7(11) . .
C7 C8 C9 F9 0.6(18) . .
C10 C8 C9 C10 1(2) . 5_666
C7 C8 C9 C10 178.9(11) . 5_666
C9 C8 C10 F10 -179.4(11) . .
C7 C8 C10 F10 2.3(17) . .
C9 C8 C10 C9 -1(2) . 5_666
C7 C8 C10 C9 -178.9(11) . 5_666
Ho1 O11 C11 N11 157.1(11) . .
C12 N11 C11 O11 -1(2) . .
C13 N11 C11 O11 -177.4(15) . .
Ho1 O14 C14 N14 176.6(11) . .
C15 N14 C14 O14 -178.7(14) . .
C16 N14 C14 O14 2(2) . .
C18 N17 C17 O17 177(3) . .
C19 N17 C17 O17 -4(4) . .
