#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/45/7214590.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_7214590
loop_
_publ_author_name
'Nassimbeni, Luigi R.'
'Su, Hong'
_publ_section_title
;
 How to monitor guest exchange in host--guest systems
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              7396
_journal_paper_doi               10.1039/c3ce40675j
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C20 H16 O3.C3 H2.50 Cl0.50'
_chemical_formula_sum            'C23 H18.5 Cl0.5 O3'
_chemical_formula_weight         360.60
_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                95.847(1)
_cell_angle_beta                 96.491(1)
_cell_angle_gamma                110.005(2)
_cell_formula_units_Z            2
_cell_length_a                   8.3670(3)
_cell_length_b                   9.1032(3)
_cell_length_c                   12.6727(5)
_cell_measurement_reflns_used    15316
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      24.95
_cell_measurement_theta_min      3.11
_cell_volume                     890.91(6)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT program (Nonius, 2000)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius Kappa CCD diffractometer'
_diffrn_measurement_method       '1.2° φ scans and ω 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  0.0681
_diffrn_reflns_av_sigmaI/netI    0.0684
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15316
_diffrn_reflns_theta_full        24.95
_diffrn_reflns_theta_max         24.95
_diffrn_reflns_theta_min         3.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.160
_exptl_absorpt_correction_T_max  0.9764
_exptl_absorpt_correction_T_min  0.9432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourles
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             378
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.234
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3089
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0621P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1211
_reflns_number_gt                1884
_reflns_number_total             3089
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40675j.txt
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C23 H18.50 Cl0.50 O3'
_cod_database_code               7214590
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
O9 O 0.28175(17) 0.78610(16) 0.53187(11) 0.0260(4) Uani 1 1 d D
H9 H 0.210(3) 0.6885(17) 0.4864(18) 0.072(9) Uiso 1 1 d D
O10 O -0.07115(16) 0.48908(15) 0.61792(12) 0.0294(4) Uani 1 1 d .
O11 O 0.68814(19) 1.33797(17) 0.90511(13) 0.0411(5) Uani 1 1 d .
C1 C 0.3902(3) 0.6248(2) 0.72396(17) 0.0277(5) Uani 1 1 d .
H1 H 0.4908 0.7175 0.7371 0.033 Uiso 1 1 calc R
C2 C 0.4014(3) 0.4856(3) 0.75090(18) 0.0324(6) Uani 1 1 d .
H2 H 0.5094 0.4824 0.7806 0.039 Uiso 1 1 calc R
C3 C 0.2551(3) 0.3501(3) 0.73464(18) 0.0330(6) Uani 1 1 d .
H3 H 0.2625 0.2539 0.7535 0.040 Uiso 1 1 calc R
C4 C 0.0997(3) 0.3553(2) 0.69125(18) 0.0300(6) Uani 1 1 d .
H4 H -0.0014 0.2631 0.6804 0.036 Uiso 1 1 calc R
C5 C -0.2665(3) 0.6172(3) 0.57981(17) 0.0292(6) Uani 1 1 d .
H5 H -0.3566 0.5169 0.5701 0.035 Uiso 1 1 calc R
C6 C -0.3031(3) 0.7513(3) 0.56680(17) 0.0307(6) Uani 1 1 d .
H6 H -0.4188 0.7435 0.5465 0.037 Uiso 1 1 calc R
C7 C -0.1710(3) 0.8976(3) 0.58334(18) 0.0313(6) Uani 1 1 d .
H7 H -0.1964 0.9905 0.5761 0.038 Uiso 1 1 calc R
C8 C -0.0026(3) 0.9079(2) 0.61035(17) 0.0285(5) Uani 1 1 d .
H8 H 0.0869 1.0087 0.6219 0.034 Uiso 1 1 calc R
C9 C 0.2246(2) 0.7809(2) 0.63657(16) 0.0221(5) Uani 1 1 d .
C11 C 0.2342(2) 0.6332(2) 0.67762(16) 0.0226(5) Uani 1 1 d .
C12 C 0.0914(2) 0.4961(2) 0.66342(16) 0.0242(5) Uani 1 1 d .
C13 C -0.0967(3) 0.6306(2) 0.60723(17) 0.0244(5) Uani 1 1 d .
C14 C 0.0395(2) 0.7741(2) 0.62114(16) 0.0227(5) Uani 1 1 d .
C15 C 0.3472(2) 0.9318(2) 0.70785(17) 0.0216(5) Uani 1 1 d .
C16 C 0.3257(3) 0.9615(2) 0.81375(17) 0.0275(5) Uani 1 1 d .
H16 H 0.2327 0.8886 0.8397 0.033 Uiso 1 1 calc R
C17 C 0.4359(3) 1.0946(2) 0.88290(18) 0.0302(6) Uani 1 1 d .
H17 H 0.4189 1.1124 0.9553 0.036 Uiso 1 1 calc R
C18 C 0.5715(3) 1.2014(2) 0.84491(18) 0.0278(5) Uani 1 1 d .
C19 C 0.5938(3) 1.1750(2) 0.73914(18) 0.0289(5) Uani 1 1 d .
H19 H 0.6854 1.2490 0.7129 0.035 Uiso 1 1 calc R
C20 C 0.4829(2) 1.0409(2) 0.67130(17) 0.0261(5) Uani 1 1 d .
H20 H 0.4998 1.0234 0.5989 0.031 Uiso 1 1 calc R
C21 C 0.6648(4) 1.3721(3) 1.0137(2) 0.0534(8) Uani 1 1 d .
H21A H 0.5520 1.3823 1.0145 0.080 Uiso 1 1 calc R
H21B H 0.7556 1.4714 1.0484 0.080 Uiso 1 1 calc R
H21C H 0.6707 1.2861 1.0527 0.080 Uiso 1 1 calc R
Cl1G Cl 0.1354(5) 1.2709(4) 0.1019(3) 0.0784(9) Uani 0.50 1 d P
C1G C 0.107(2) 1.2162(15) 0.0791(16) 0.125(7) Uani 0.50 1 d P
C2G C 0.0691(3) 0.9512(5) 0.0705(3) 0.0619(9) Uani 1 1 d .
C3G C 0.0434(7) 1.0792(7) 0.0347(5) 0.0469(13) Uiso 0.50 1 d P
C4G C 0.1416(7) 1.0993(11) 0.1214(5) 0.070(2) Uani 0.50 1 d P
C5G C -0.0029(9) 1.1937(10) -0.0256(7) 0.081(2) 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'
Cl Cl 0.1484 0.1585 '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
C9 O9 H9 107.2(17) . .
C13 O10 C12 118.33(15) . .
C18 O11 C21 116.98(18) . .
C2 C1 C11 121.63(19) . .
C2 C1 H1 119.2 . .
C11 C1 H1 119.2 . .
C1 C2 C3 120.0(2) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 119.7(2) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C3 C4 C12 119.40(19) . .
C3 C4 H4 120.3 . .
C12 C4 H4 120.3 . .
C6 C5 C13 119.08(19) . .
C6 C5 H5 120.5 . .
C13 C5 H5 120.5 . .
C5 C6 C7 120.04(19) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C8 C7 C6 119.8(2) . .
C8 C7 H7 120.1 . .
C6 C7 H7 120.1 . .
C7 C8 C14 121.71(19) . .
C7 C8 H8 119.1 . .
C14 C8 H8 119.1 . .
O9 C9 C11 108.35(16) . .
O9 C9 C14 107.83(15) . .
C11 C9 C14 109.95(16) . .
O9 C9 C15 105.57(15) . .
C11 C9 C15 112.32(16) . .
C14 C9 C15 112.56(16) . .
C12 C11 C1 116.61(19) . .
C12 C11 C9 121.36(17) . .
C1 C11 C9 121.85(17) . .
C11 C12 C4 122.62(19) . .
C11 C12 O10 122.08(18) . .
C4 C12 O10 115.29(17) . .
C5 C13 C14 122.64(19) . .
C5 C13 O10 115.30(17) . .
C14 C13 O10 122.05(18) . .
C13 C14 C8 116.71(18) . .
C13 C14 C9 120.88(18) . .
C8 C14 C9 122.15(17) . .
C16 C15 C20 118.05(19) . .
C16 C15 C9 119.42(18) . .
C20 C15 C9 122.52(19) . .
C15 C16 C17 121.9(2) . .
C15 C16 H16 119.1 . .
C17 C16 H16 119.1 . .
C16 C17 C18 119.1(2) . .
C16 C17 H17 120.5 . .
C18 C17 H17 120.5 . .
O11 C18 C19 115.51(18) . .
O11 C18 C17 124.6(2) . .
C19 C18 C17 119.93(19) . .
C18 C19 C20 120.2(2) . .
C18 C19 H19 119.9 . .
C20 C19 H19 119.9 . .
C19 C20 C15 120.8(2) . .
C19 C20 H20 119.6 . .
C15 C20 H20 119.6 . .
O11 C21 H21A 109.5 . .
O11 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
O11 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C1G Cl1G C4G 49(3) . .
C1G Cl1G C3G 5(3) . .
C4G Cl1G C3G 43.7(3) . .
C1G Cl1G C5G 45(3) . .
C4G Cl1G C5G 93.2(4) . .
C3G Cl1G C5G 49.6(3) . .
Cl1G C1G C3G 173(4) . .
Cl1G C1G C4G 115(4) . .
C3G C1G C4G 58.3(8) . .
Cl1G C1G C5G 121(3) . .
C3G C1G C5G 65.7(9) . .
C4G C1G C5G 124.0(8) . .
C5G C2G C4G 177.1(6) 2_575 .
C5G C2G C3G 127.6(5) 2_575 .
C4G C2G C3G 55.3(4) . .
C5G C2G C3G 64.2(4) 2_575 2_575
C4G C2G C3G 118.7(5) . 2_575
C3G C2G C3G 63.5(4) . 2_575
C1G C3G C4G 65.6(11) . .
C1G C3G C2G 126.6(13) . .
C4G C3G C2G 61.0(5) . .
C1G C3G C5G 65.5(11) . .
C4G C3G C5G 131.1(7) . .
C2G C3G C5G 167.7(6) . .
C1G C3G C2G 116.9(13) . 2_575
C4G C3G C2G 176.8(7) . 2_575
C2G C3G C2G 116.5(4) . 2_575
C5G C3G C2G 51.3(4) . 2_575
C1G C3G C3G 171.2(14) . 2_575
C4G C3G C3G 123.0(8) . 2_575
C2G C3G C3G 62.1(4) . 2_575
C5G C3G C3G 105.7(7) . 2_575
C2G C3G C3G 54.5(4) 2_575 2_575
C1G C3G Cl1G 2.1(12) . .
C4G C3G Cl1G 63.6(5) . .
C2G C3G Cl1G 124.6(4) . .
C5G C3G Cl1G 67.6(5) . .
C2G C3G Cl1G 118.9(4) 2_575 .
C3G C3G Cl1G 173.3(6) 2_575 .
C3G C4G C2G 63.8(4) . .
C3G C4G C1G 56.0(8) . .
C2G C4G C1G 119.8(9) . .
C3G C4G Cl1G 72.7(5) . .
C2G C4G Cl1G 136.4(5) . .
C1G C4G Cl1G 16.7(7) . .
C2G C5G C1G 113.3(8) 2_575 .
C2G C5G C3G 64.5(4) 2_575 .
C1G C5G C3G 48.7(6) . .
C2G C5G Cl1G 127.3(6) 2_575 .
C1G C5G Cl1G 14.1(7) . .
C3G C5G Cl1G 62.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O9 C9 1.460(2) .
O9 H9 0.966(2) .
O10 C13 1.393(2) .
O10 C12 1.394(2) .
O11 C18 1.374(2) .
O11 C21 1.430(3) .
C1 C2 1.376(3) .
C1 C11 1.399(3) .
C1 H1 0.9500 .
C2 C3 1.386(3) .
C2 H2 0.9500 .
C3 C4 1.372(3) .
C3 H3 0.9500 .
C4 C12 1.385(3) .
C4 H4 0.9500 .
C5 C6 1.377(3) .
C5 C13 1.384(3) .
C5 H5 0.9500 .
C6 C7 1.387(3) .
C6 H6 0.9500 .
C7 C8 1.381(3) .
C7 H7 0.9500 .
C8 C14 1.393(3) .
C8 H8 0.9500 .
C9 C11 1.514(3) .
C9 C14 1.517(3) .
C9 C15 1.526(3) .
C11 C12 1.379(3) .
C13 C14 1.387(3) .
C15 C16 1.386(3) .
C15 C20 1.390(3) .
C16 C17 1.387(3) .
C16 H16 0.9500 .
C17 C18 1.389(3) .
C17 H17 0.9500 .
C18 C19 1.382(3) .
C19 C20 1.386(3) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
Cl1G C1G 0.513(12) .
Cl1G C4G 1.623(10) .
Cl1G C3G 1.730(6) .
Cl1G C5G 1.798(10) .
C1G C3G 1.221(12) .
C1G C4G 1.34(2) .
C1G C5G 1.48(2) .
C2G C5G 1.283(8) 2_575
C2G C4G 1.333(8) .
C2G C3G 1.367(6) .
C2G C3G 1.484(6) 2_575
C3G C4G 1.253(8) .
C3G C5G 1.480(10) .
C3G C2G 1.484(6) 2_575
C3G C3G 1.503(11) 2_575
C5G C2G 1.283(8) 2_575
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O9 H9 O10 0.966(2) 1.910(4) 2.8703(19) 173(2) 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
C11 C1 C2 C3 -1.6(3) . .
C1 C2 C3 C4 0.3(3) . .
C2 C3 C4 C12 0.5(3) . .
C13 C5 C6 C7 -1.4(3) . .
C5 C6 C7 C8 1.6(3) . .
C6 C7 C8 C14 0.3(3) . .
C2 C1 C11 C12 1.9(3) . .
C2 C1 C11 C9 -173.1(2) . .
O9 C9 C11 C12 -96.2(2) . .
C14 C9 C11 C12 21.5(3) . .
C15 C9 C11 C12 147.62(19) . .
O9 C9 C11 C1 78.7(2) . .
C14 C9 C11 C1 -163.71(18) . .
C15 C9 C11 C1 -37.5(3) . .
C1 C11 C12 C4 -1.1(3) . .
C9 C11 C12 C4 173.96(19) . .
C1 C11 C12 O10 -179.85(18) . .
C9 C11 C12 O10 -4.8(3) . .
C3 C4 C12 C11 -0.1(3) . .
C3 C4 C12 O10 178.72(18) . .
C13 O10 C12 C11 -13.5(3) . .
C13 O10 C12 C4 167.74(18) . .
C6 C5 C13 C14 -0.7(3) . .
C6 C5 C13 O10 -179.50(18) . .
C12 O10 C13 C5 -168.89(18) . .
C12 O10 C13 C14 12.3(3) . .
C5 C13 C14 C8 2.5(3) . .
O10 C13 C14 C8 -178.82(19) . .
C5 C13 C14 C9 -171.82(19) . .
O10 C13 C14 C9 6.9(3) . .
C7 C8 C14 C13 -2.3(3) . .
C7 C8 C14 C9 171.97(19) . .
O9 C9 C14 C13 95.5(2) . .
C11 C9 C14 C13 -22.4(3) . .
C15 C9 C14 C13 -148.45(19) . .
O9 C9 C14 C8 -78.5(2) . .
C11 C9 C14 C8 163.59(19) . .
C15 C9 C14 C8 37.6(3) . .
O9 C9 C15 C16 179.90(17) . .
C11 C9 C15 C16 -62.2(2) . .
C14 C9 C15 C16 62.5(2) . .
O9 C9 C15 C20 -1.1(2) . .
C11 C9 C15 C20 116.8(2) . .
C14 C9 C15 C20 -118.5(2) . .
C20 C15 C16 C17 -0.7(3) . .
C9 C15 C16 C17 178.32(19) . .
C15 C16 C17 C18 0.2(3) . .
C21 O11 C18 C19 177.6(2) . .
C21 O11 C18 C17 -1.1(3) . .
C16 C17 C18 O11 179.3(2) . .
C16 C17 C18 C19 0.7(3) . .
O11 C18 C19 C20 -179.80(18) . .
C17 C18 C19 C20 -1.1(3) . .
C18 C19 C20 C15 0.5(3) . .
C16 C15 C20 C19 0.4(3) . .
C9 C15 C20 C19 -178.64(19) . .
C4G Cl1G C1G C3G 14(23) . .
C5G Cl1G C1G C3G -167(27) . .
C3G Cl1G C1G C4G -14(23) . .
C5G Cl1G C1G C4G 179(4) . .
C4G Cl1G C1G C5G -179(4) . .
C3G Cl1G C1G C5G 167(27) . .
Cl1G C1G C3G C4G -15(24) . .
C5G C1G C3G C4G 177.4(9) . .
Cl1G C1G C3G C2G -14(25) . .
C4G C1G C3G C2G 0.3(10) . .
C5G C1G C3G C2G 177.7(7) . .
Cl1G C1G C3G C5G 168(25) . .
C4G C1G C3G C5G -177.4(9) . .
Cl1G C1G C3G C2G 167(24) . 2_575
C4G C1G C3G C2G -177.8(6) . 2_575
C5G C1G C3G C2G -0.4(8) . 2_575
Cl1G C1G C3G C3G 176(20) . 2_575
C4G C1G C3G C3G -169(6) . 2_575
C5G C1G C3G C3G 9(7) . 2_575
C4G C1G C3G Cl1G 15(24) . .
C5G C1G C3G Cl1G -168(25) . .
C5G C2G C3G C1G 179.4(11) 2_575 .
C4G C2G C3G C1G -0.3(11) . .
C3G C2G C3G C1G -178.1(12) 2_575 .
C5G C2G C3G C4G 179.7(6) 2_575 .
C3G C2G C3G C4G -177.8(6) 2_575 .
C5G C2G C3G C5G -10(3) 2_575 .
C4G C2G C3G C5G 170(2) . .
C3G C2G C3G C5G -8(2) 2_575 .
C5G C2G C3G C2G -2.5(7) 2_575 2_575
C4G C2G C3G C2G 177.8(6) . 2_575
C3G C2G C3G C2G 0.0 2_575 2_575
C5G C2G C3G C3G -2.5(7) 2_575 2_575
C4G C2G C3G C3G 177.8(6) . 2_575
C5G C2G C3G Cl1G 178.8(5) 2_575 .
C4G C2G C3G Cl1G -1.0(4) . .
C3G C2G C3G Cl1G -178.8(7) 2_575 .
C4G Cl1G C3G C1G -165(25) . .
C5G Cl1G C3G C1G 12(25) . .
C1G Cl1G C3G C4G 165(25) . .
C5G Cl1G C3G C4G 176.9(5) . .
C1G Cl1G C3G C2G 166(25) . .
C4G Cl1G C3G C2G 0.9(4) . .
C5G Cl1G C3G C2G 177.9(6) . .
C1G Cl1G C3G C5G -12(25) . .
C4G Cl1G C3G C5G -176.9(5) . .
C1G Cl1G C3G C2G -13(25) . 2_575
C4G Cl1G C3G C2G -177.8(6) . 2_575
C5G Cl1G C3G C2G -0.9(4) . 2_575
C1G Cl1G C3G C3G -5(26) . 2_575
C4G Cl1G C3G C3G -170(5) . 2_575
C5G Cl1G C3G C3G 7(5) . 2_575
C1G C3G C4G C2G 179.7(9) . .
C5G C3G C4G C2G -177.1(7) . .
C2G C3G C4G C2G -38(11) 2_575 .
C3G C3G C4G C2G -2.3(7) 2_575 .
Cl1G C3G C4G C2G 179.1(4) . .
C2G C3G C4G C1G -179.7(9) . .
C5G C3G C4G C1G 3.2(11) . .
C2G C3G C4G C1G 142(11) 2_575 .
C3G C3G C4G C1G 178.0(11) 2_575 .
Cl1G C3G C4G C1G -0.6(10) . .
C1G C3G C4G Cl1G 0.6(10) . .
C2G C3G C4G Cl1G -179.1(4) . .
C5G C3G C4G Cl1G 3.8(7) . .
C2G C3G C4G Cl1G 143(11) 2_575 .
C3G C3G C4G Cl1G 178.6(7) 2_575 .
C5G C2G C4G C3G -176(10) 2_575 .
C3G C2G C4G C3G 2.2(6) 2_575 .
C5G C2G C4G C1G -175(10) 2_575 .
C3G C2G C4G C1G 0.3(9) . .
C3G C2G C4G C1G 2.5(11) 2_575 .
C5G C2G C4G Cl1G -175(9) 2_575 .
C3G C2G C4G Cl1G 1.2(5) . .
C3G C2G C4G Cl1G 3.5(9) 2_575 .
Cl1G C1G C4G C3G 178(3) . .
C5G C1G C4G C3G -2.9(10) . .
Cl1G C1G C4G C2G 178(2) . .
C3G C1G C4G C2G -0.3(10) . .
C5G C1G C4G C2G -3.2(18) . .
C3G C1G C4G Cl1G -178(3) . .
C5G C1G C4G Cl1G 179(4) . .
C1G Cl1G C4G C3G -2(3) . .
C5G Cl1G C4G C3G -2.3(4) . .
C1G Cl1G C4G C2G -3(3) . .
C3G Cl1G C4G C2G -1.2(5) . .
C5G Cl1G C4G C2G -3.5(7) . .
C3G Cl1G C4G C1G 2(3) . .
C5G Cl1G C4G C1G -1(3) . .
Cl1G C1G C5G C2G -178(3) . 2_575
C3G C1G C5G C2G 0.5(9) . 2_575
C4G C1G C5G C2G 3.2(17) . 2_575
Cl1G C1G C5G C3G -178(3) . .
C4G C1G C5G C3G 2.7(9) . .
C3G C1G C5G Cl1G 178(3) . .
C4G C1G C5G Cl1G -179(4) . .
C1G C3G C5G C2G -179.5(9) . 2_575
C4G C3G C5G C2G 177.3(8) . 2_575
C2G C3G C5G C2G 9(2) . 2_575
C3G C3G C5G C2G 1.8(5) 2_575 2_575
Cl1G C3G C5G C2G -179.0(4) . 2_575
C4G C3G C5G C1G -3.2(11) . .
C2G C3G C5G C1G -171(3) . .
C2G C3G C5G C1G 179.5(9) 2_575 .
C3G C3G C5G C1G -178.6(11) 2_575 .
Cl1G C3G C5G C1G 0.5(10) . .
C1G C3G C5G Cl1G -0.5(10) . .
C4G C3G C5G Cl1G -3.6(7) . .
C2G C3G C5G Cl1G -172(2) . .
C2G C3G C5G Cl1G 179.0(4) 2_575 .
C3G C3G C5G Cl1G -179.1(6) 2_575 .
C1G Cl1G C5G C2G 3(3) . 2_575
C4G Cl1G C5G C2G 3.2(6) . 2_575
C3G Cl1G C5G C2G 1.1(5) . 2_575
C4G Cl1G C5G C1G 1(3) . .
C3G Cl1G C5G C1G -1(3) . .
C1G Cl1G C5G C3G 1(3) . .
C4G Cl1G C5G C3G 2.1(4) . .
