#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:17:58 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179962 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/56/7025655.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_7025655
loop_
_publ_author_name
'Ilango, Sougandi'
'Vidjayacoumar, Balamurugan'
'Gambarotta, Sandro'
_publ_section_title
;
 Samarium complexes of a sigma-/pi-pyrrolide/arene based macrocyclic
 ligand.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6853
_journal_page_last               6857
_journal_paper_doi               10.1039/c002514n
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C32 H36 Cl N2 Sm'
_chemical_formula_weight         634.43
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 109.89(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.09(3)
_cell_length_b                   14.994(11)
_cell_length_c                   10.206(11)
_cell_measurement_reflns_used    191
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      24.73
_cell_measurement_theta_min      2.27
_cell_volume                     2747(6)
_computing_cell_refinement       'SMART, Bruker (2000)'
_computing_data_collection       'SMART, Bruker (2000)'
_computing_data_reduction        'XPREP, Bruker (2000)'
_computing_molecular_graphics    'SHELXTL, Bruker (2000)'
_computing_publication_material  'SHELXTL, Bruker (2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0426
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9947
_diffrn_reflns_theta_full        24.77
_diffrn_reflns_theta_max         24.77
_diffrn_reflns_theta_min         2.72
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    2.258
_exptl_absorpt_correction_T_max  0.8057
_exptl_absorpt_correction_T_min  0.6609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2000)'
_exptl_crystal_colour            reddish-orange
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1284
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.152
_refine_diff_density_min         -0.634
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2307
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[σ²(Fo²)+(0.0469P)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0735
_refine_ls_wR_factor_ref         0.0762
_reflns_number_gt                2105
_reflns_number_total             2307
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002514n.txt
_cod_data_source_block           sg3303
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7025655
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
Sm1 Sm 0.5000 0.788826(18) 0.7500 0.02316(12) Uani 1 2 d S
Cl1 Cl 0.5000 0.96345(11) 0.7500 0.0685(7) Uani 1 2 d S
N1 N 0.61009(18) 0.7093(2) 0.7521(3) 0.0261(7) Uani 1 1 d .
C1 C 0.6076(2) 0.7657(3) 0.5159(4) 0.0300(9) Uani 1 1 d .
C2 C 0.6181(3) 0.7229(3) 0.3871(5) 0.0403(11) Uani 1 1 d .
H2A H 0.5911 0.6669 0.3665 0.060 Uiso 1 1 calc R
H2B H 0.6706 0.7120 0.4054 0.060 Uiso 1 1 calc R
H2C H 0.5991 0.7628 0.3081 0.060 Uiso 1 1 calc R
C3 C 0.6482(2) 0.8559(3) 0.5420(5) 0.0409(11) Uani 1 1 d .
H3A H 0.6418 0.8845 0.6223 0.061 Uiso 1 1 calc R
H3B H 0.6277 0.8937 0.4608 0.061 Uiso 1 1 calc R
H3C H 0.7009 0.8464 0.5592 0.061 Uiso 1 1 calc R
C4 C 0.6393(2) 0.7060(3) 0.6442(4) 0.0277(9) Uani 1 1 d .
C5 C 0.6968(2) 0.6468(3) 0.6744(4) 0.0316(9) Uani 1 1 d .
H5A H 0.7254 0.6330 0.6182 0.038 Uiso 1 1 calc R
C6 C 0.7050(2) 0.6098(3) 0.8068(4) 0.0313(9) Uani 1 1 d .
H6A H 0.7399 0.5664 0.8545 0.038 Uiso 1 1 calc R
C7 C 0.6527(2) 0.6491(3) 0.8521(4) 0.0245(8) Uani 1 1 d .
C8 C 0.6344(2) 0.6276(3) 0.9828(4) 0.0277(9) Uani 1 1 d .
C9 C 0.7070(2) 0.6142(3) 1.1091(4) 0.0397(11) Uani 1 1 d .
H9A H 0.7366 0.6683 1.1246 0.060 Uiso 1 1 calc R
H9B H 0.7353 0.5652 1.0902 0.060 Uiso 1 1 calc R
H9C H 0.6945 0.6008 1.1915 0.060 Uiso 1 1 calc R
C10 C 0.5901(2) 0.5400(3) 0.9608(5) 0.0389(10) Uani 1 1 d .
H10A H 0.5444 0.5463 0.8820 0.058 Uiso 1 1 calc R
H10B H 0.5784 0.5262 1.0438 0.058 Uiso 1 1 calc R
H10C H 0.6197 0.4921 0.9425 0.058 Uiso 1 1 calc R
C11 C 0.5911(2) 0.7062(3) 1.0108(4) 0.0245(9) Uani 1 1 d .
C12 C 0.5175(2) 0.6991(3) 1.0050(4) 0.0263(9) Uani 1 1 d .
H12A H 0.4951 0.6393 1.0030 0.032 Uiso 1 1 calc R
C13 C 0.4753(2) 0.7773(3) 1.0125(4) 0.0278(9) Uani 1 1 d .
C14 C 0.5115(2) 0.8579(3) 1.0381(4) 0.0311(9) Uani 1 1 d .
H14A H 0.4840 0.9123 1.0463 0.037 Uiso 1 1 calc R
C15 C 0.5869(2) 0.8643(3) 1.0489(4) 0.0344(10) Uani 1 1 d .
H15A H 0.6110 0.9199 1.0676 0.041 Uiso 1 1 calc R
C16 C 0.6253(2) 0.7909(3) 1.0326(4) 0.0301(9) Uani 1 1 d .
H16A H 0.6749 0.7967 1.0360 0.036 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 '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
N1 Sm1 N1 120.70(18) . 2_656
N1 Sm1 Cl1 119.65(9) . .
N1 Sm1 Cl1 119.65(9) 2_656 .
N1 Sm1 C12 66.75(16) . 2_656
N1 Sm1 C12 85.83(15) 2_656 2_656
Cl1 Sm1 C12 118.20(9) . 2_656
N1 Sm1 C12 85.83(15) . .
N1 Sm1 C12 66.75(16) 2_656 .
Cl1 Sm1 C12 118.20(9) . .
C12 Sm1 C12 123.60(17) 2_656 .
N1 Sm1 C13 63.90(15) . 2_656
N1 Sm1 C13 112.36(15) 2_656 2_656
Cl1 Sm1 C13 93.45(8) . 2_656
C12 Sm1 C13 29.11(12) 2_656 2_656
C12 Sm1 C13 144.77(12) . 2_656
N1 Sm1 C13 112.36(15) . .
N1 Sm1 C13 63.90(15) 2_656 .
Cl1 Sm1 C13 93.45(8) . .
C12 Sm1 C13 144.77(12) 2_656 .
C12 Sm1 C13 29.11(12) . .
C13 Sm1 C13 173.10(16) 2_656 .
N1 Sm1 C11 92.61(16) . 2_656
N1 Sm1 C11 62.20(14) 2_656 2_656
Cl1 Sm1 C11 115.17(9) . 2_656
C12 Sm1 C11 27.90(13) 2_656 2_656
C12 Sm1 C11 118.80(14) . 2_656
C13 Sm1 C11 50.26(14) 2_656 2_656
C13 Sm1 C11 126.02(14) . 2_656
N1 Sm1 C11 62.21(14) . .
N1 Sm1 C11 92.61(16) 2_656 .
Cl1 Sm1 C11 115.17(9) . .
C12 Sm1 C11 118.80(14) 2_656 .
C12 Sm1 C11 27.90(13) . .
C13 Sm1 C11 126.03(14) 2_656 .
C13 Sm1 C11 50.26(14) . .
C11 Sm1 C11 129.66(17) 2_656 .
N1 Sm1 C14 87.32(15) . 2_656
N1 Sm1 C14 112.46(16) 2_656 2_656
Cl1 Sm1 C14 70.19(9) . 2_656
C12 Sm1 C14 48.11(13) 2_656 2_656
C12 Sm1 C14 171.16(12) . 2_656
C13 Sm1 C14 26.55(11) 2_656 2_656
C13 Sm1 C14 159.28(12) . 2_656
C11 Sm1 C14 55.93(14) 2_656 2_656
C11 Sm1 C14 148.05(13) . 2_656
N1 Sm1 C14 112.46(16) . .
N1 Sm1 C14 87.32(15) 2_656 .
Cl1 Sm1 C14 70.18(9) . .
C12 Sm1 C14 171.16(12) 2_656 .
C12 Sm1 C14 48.11(13) . .
C13 Sm1 C14 159.28(12) 2_656 .
C13 Sm1 C14 26.55(11) . .
C11 Sm1 C14 148.05(13) 2_656 .
C11 Sm1 C14 55.93(14) . .
C14 Sm1 C14 140.37(17) 2_656 .
N1 Sm1 C16 114.41(15) . 2_656
N1 Sm1 C16 66.21(15) 2_656 2_656
Cl1 Sm1 C16 89.43(8) . 2_656
C12 Sm1 C16 48.03(13) 2_656 2_656
C12 Sm1 C16 132.70(14) . 2_656
C13 Sm1 C16 56.36(16) 2_656 2_656
C13 Sm1 C16 123.73(16) . 2_656
C11 Sm1 C16 27.18(11) 2_656 2_656
C11 Sm1 C16 153.90(12) . 2_656
C14 Sm1 C16 46.46(14) 2_656 2_656
C14 Sm1 C16 133.01(14) . 2_656
C4 N1 C7 105.3(3) . .
C4 N1 Sm1 126.3(3) . .
C7 N1 Sm1 128.0(3) . .
C13 C1 C4 108.3(3) 2_656 .
C13 C1 C2 108.3(4) 2_656 .
C4 C1 C2 111.1(4) . .
C13 C1 C3 111.4(4) 2_656 .
C4 C1 C3 109.7(4) . .
C2 C1 C3 108.1(4) . .
C5 C4 N1 110.6(4) . .
C5 C4 C1 128.9(4) . .
N1 C4 C1 120.4(4) . .
C4 C5 C6 106.9(4) . .
C7 C6 C5 107.2(4) . .
C6 C7 N1 110.0(4) . .
C6 C7 C8 128.0(4) . .
N1 C7 C8 121.7(3) . .
C11 C8 C7 107.6(3) . .
C11 C8 C10 112.5(3) . .
C7 C8 C10 109.3(3) . .
C11 C8 C9 109.5(3) . .
C7 C8 C9 110.4(3) . .
C10 C8 C9 107.6(3) . .
C12 C11 C16 118.8(4) . .
C12 C11 C8 122.7(4) . .
C16 C11 C8 118.4(4) . .
C12 C11 Sm1 73.3(2) . .
C16 C11 Sm1 82.1(2) . .
C8 C11 Sm1 110.6(2) . .
C11 C12 C13 120.8(4) . .
C11 C12 Sm1 78.8(2) . .
C13 C12 Sm1 76.7(2) . .
C14 C13 C12 118.1(4) . .
C14 C13 C1 124.2(4) . 2_656
C12 C13 C1 117.6(4) . 2_656
C14 C13 Sm1 83.8(2) . .
C12 C13 Sm1 74.2(2) . .
C1 C13 Sm1 108.6(3) 2_656 .
C13 C14 C15 120.7(4) . .
C13 C14 Sm1 69.6(2) . .
C15 C14 Sm1 80.6(3) . .
C16 C15 C14 120.8(4) . .
C15 C16 C11 120.5(4) . .
C15 C16 Sm1 81.0(3) . .
C11 C16 Sm1 70.8(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 N1 2.410(5) .
Sm1 N1 2.410(5) 2_656
Sm1 Cl1 2.618(3) .
Sm1 C12 2.847(5) 2_656
Sm1 C12 2.847(5) .
Sm1 C13 2.879(5) 2_656
Sm1 C13 2.879(5) .
Sm1 C11 2.915(5) 2_656
Sm1 C11 2.915(5) .
Sm1 C14 3.054(5) 2_656
Sm1 C14 3.054(5) .
Sm1 C16 3.057(7) 2_656
N1 C4 1.394(5) .
N1 C7 1.398(5) .
C1 C13 1.519(7) 2_656
C1 C4 1.530(6) .
C1 C2 1.536(6) .
C1 C3 1.536(6) .
C4 C5 1.363(6) .
C5 C6 1.419(6) .
C6 C7 1.368(6) .
C7 C8 1.524(6) .
C8 C11 1.521(6) .
C8 C10 1.537(6) .
C8 C9 1.551(6) .
C11 C12 1.390(6) .
C11 C16 1.410(5) .
C12 C13 1.439(6) .
C13 C14 1.373(6) .
C13 C1 1.519(7) 2_656
C14 C15 1.408(7) .
C15 C16 1.364(6) .
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
N1 Sm1 N1 C4 111.6(3) 2_656 .
Cl1 Sm1 N1 C4 -68.4(3) . .
C12 Sm1 N1 C4 42.0(3) 2_656 .
C12 Sm1 N1 C4 171.4(3) . .
C13 Sm1 N1 C4 10.0(3) 2_656 .
C13 Sm1 N1 C4 -176.4(3) . .
C11 Sm1 N1 C4 52.7(3) 2_656 .
C11 Sm1 N1 C4 -173.0(3) . .
C14 Sm1 N1 C4 -3.0(3) 2_656 .
C14 Sm1 N1 C4 -147.6(3) . .
C16 Sm1 N1 C4 35.9(3) 2_656 .
N1 Sm1 N1 C7 -60.1(3) 2_656 .
Cl1 Sm1 N1 C7 119.9(3) . .
C12 Sm1 N1 C7 -129.8(3) 2_656 .
C12 Sm1 N1 C7 -0.3(3) . .
C13 Sm1 N1 C7 -161.7(3) 2_656 .
C13 Sm1 N1 C7 11.9(3) . .
C11 Sm1 N1 C7 -119.0(3) 2_656 .
C11 Sm1 N1 C7 15.3(3) . .
C14 Sm1 N1 C7 -174.7(3) 2_656 .
C14 Sm1 N1 C7 40.7(3) . .
C16 Sm1 N1 C7 -135.9(3) 2_656 .
C7 N1 C4 C5 0.3(4) . .
Sm1 N1 C4 C5 -172.9(3) . .
C7 N1 C4 C1 -178.5(3) . .
Sm1 N1 C4 C1 8.3(5) . .
C13 C1 C4 C5 148.0(4) 2_656 .
C2 C1 C4 C5 29.2(6) . .
C3 C1 C4 C5 -90.2(5) . .
C13 C1 C4 N1 -33.4(5) 2_656 .
C2 C1 C4 N1 -152.3(4) . .
C3 C1 C4 N1 88.3(5) . .
N1 C4 C5 C6 0.2(5) . .
C1 C4 C5 C6 178.9(4) . .
C4 C5 C6 C7 -0.7(5) . .
C5 C6 C7 N1 0.9(5) . .
C5 C6 C7 C8 174.9(4) . .
C4 N1 C7 C6 -0.8(4) . .
Sm1 N1 C7 C6 172.3(3) . .
C4 N1 C7 C8 -175.2(3) . .
Sm1 N1 C7 C8 -2.1(5) . .
C6 C7 C8 C11 162.6(4) . .
N1 C7 C8 C11 -24.0(5) . .
C6 C7 C8 C10 -75.0(5) . .
N1 C7 C8 C10 98.4(4) . .
C6 C7 C8 C9 43.2(6) . .
N1 C7 C8 C9 -143.4(4) . .
C7 C8 C11 C12 115.5(4) . .
C10 C8 C11 C12 -4.9(5) . .
C9 C8 C11 C12 -124.5(4) . .
C7 C8 C11 C16 -59.5(4) . .
C10 C8 C11 C16 -179.9(3) . .
C9 C8 C11 C16 60.6(5) . .
C7 C8 C11 Sm1 32.6(3) . .
C10 C8 C11 Sm1 -87.9(3) . .
C9 C8 C11 Sm1 152.6(3) . .
N1 Sm1 C11 C12 -145.1(3) . .
N1 Sm1 C11 C12 -21.4(2) 2_656 .
Cl1 Sm1 C11 C12 103.2(2) . .
C12 Sm1 C11 C12 -108.1(3) 2_656 .
C13 Sm1 C11 C12 -141.7(2) 2_656 .
C13 Sm1 C11 C12 30.9(2) . .
C11 Sm1 C11 C12 -76.8(2) 2_656 .
C14 Sm1 C11 C12 -164.2(2) 2_656 .
C14 Sm1 C11 C12 63.5(2) . .
C16 Sm1 C11 C12 -55.9(4) 2_656 .
N1 Sm1 C11 C16 91.6(3) . .
N1 Sm1 C11 C16 -144.8(2) 2_656 .
Cl1 Sm1 C11 C16 -20.1(3) . .
C12 Sm1 C11 C16 128.6(3) 2_656 .
C12 Sm1 C11 C16 -123.3(4) . .
C13 Sm1 C11 C16 95.0(3) 2_656 .
C13 Sm1 C11 C16 -92.4(3) . .
C11 Sm1 C11 C16 159.9(3) 2_656 .
C14 Sm1 C11 C16 72.5(3) 2_656 .
C14 Sm1 C11 C16 -59.8(3) . .
C16 Sm1 C11 C16 -179.19(11) 2_656 .
N1 Sm1 C11 C8 -25.8(2) . .
N1 Sm1 C11 C8 97.8(3) 2_656 .
Cl1 Sm1 C11 C8 -137.5(2) . .
C12 Sm1 C11 C8 11.2(3) 2_656 .
C12 Sm1 C11 C8 119.3(4) . .
C13 Sm1 C11 C8 -22.4(3) 2_656 .
C13 Sm1 C11 C8 150.2(3) . .
C11 Sm1 C11 C8 42.5(2) 2_656 .
C14 Sm1 C11 C8 -44.9(4) 2_656 .
C14 Sm1 C11 C8 -177.2(3) . .
C16 Sm1 C11 C8 63.4(4) 2_656 .
C16 C11 C12 C13 3.9(5) . .
C8 C11 C12 C13 -171.1(3) . .
Sm1 C11 C12 C13 -66.9(3) . .
C16 C11 C12 Sm1 70.8(3) . .
C8 C11 C12 Sm1 -104.1(3) . .
N1 Sm1 C12 C11 30.5(2) . .
N1 Sm1 C12 C11 156.6(3) 2_656 .
Cl1 Sm1 C12 C11 -91.1(2) . .
C12 Sm1 C12 C11 88.9(2) 2_656 .
C13 Sm1 C12 C11 60.3(3) 2_656 .
C13 Sm1 C12 C11 -125.7(4) . .
C11 Sm1 C12 C11 121.2(3) 2_656 .
C14 Sm1 C12 C11 69.9(8) 2_656 .
C14 Sm1 C12 C11 -94.9(3) . .
C16 Sm1 C12 C11 150.3(2) 2_656 .
N1 Sm1 C12 C13 156.2(2) . .
N1 Sm1 C12 C13 -77.7(3) 2_656 .
Cl1 Sm1 C12 C13 34.6(3) . .
C12 Sm1 C12 C13 -145.4(3) 2_656 .
C13 Sm1 C12 C13 -174.00(15) 2_656 .
C11 Sm1 C12 C13 -113.1(3) 2_656 .
C11 Sm1 C12 C13 125.7(4) . .
C14 Sm1 C12 C13 -164.4(6) 2_656 .
C14 Sm1 C12 C13 30.8(2) . .
C16 Sm1 C12 C13 -84.0(3) 2_656 .
C11 C12 C13 C14 -5.8(5) . .
Sm1 C12 C13 C14 -73.9(3) . .
C11 C12 C13 C1 171.1(3) . 2_656
Sm1 C12 C13 C1 103.1(3) . 2_656
C11 C12 C13 Sm1 68.0(3) . .
N1 Sm1 C13 C14 95.8(3) . .
N1 Sm1 C13 C14 -149.8(3) 2_656 .
Cl1 Sm1 C13 C14 -28.3(2) . .
C12 Sm1 C13 C14 176.7(2) 2_656 .
C12 Sm1 C13 C14 121.6(4) . .
C13 Sm1 C13 C14 151.7(2) 2_656 .
C11 Sm1 C13 C14 -153.1(2) 2_656 .
C11 Sm1 C13 C14 92.0(3) . .
C14 Sm1 C13 C14 -65.1(5) 2_656 .
C16 Sm1 C13 C14 -119.9(3) 2_656 .
N1 Sm1 C13 C12 -25.8(3) . .
N1 Sm1 C13 C12 88.6(3) 2_656 .
Cl1 Sm1 C13 C12 -149.9(2) . .
C12 Sm1 C13 C12 55.2(4) 2_656 .
C13 Sm1 C13 C12 30.1(2) 2_656 .
C11 Sm1 C13 C12 85.3(3) 2_656 .
C11 Sm1 C13 C12 -29.6(2) . .
C14 Sm1 C13 C12 173.3(3) 2_656 .
C14 Sm1 C13 C12 -121.6(4) . .
C16 Sm1 C13 C12 118.5(2) 2_656 .
N1 Sm1 C13 C1 -140.1(3) . 2_656
N1 Sm1 C13 C1 -25.7(2) 2_656 2_656
Cl1 Sm1 C13 C1 95.8(3) . 2_656
C12 Sm1 C13 C1 -59.2(4) 2_656 2_656
C12 Sm1 C13 C1 -114.4(4) . 2_656
C13 Sm1 C13 C1 -84.2(3) 2_656 2_656
C11 Sm1 C13 C1 -29.0(3) 2_656 2_656
C11 Sm1 C13 C1 -144.0(3) . 2_656
C14 Sm1 C13 C1 58.9(5) 2_656 2_656
C14 Sm1 C13 C1 124.1(4) . 2_656
C16 Sm1 C13 C1 4.1(3) 2_656 2_656
C12 C13 C14 C15 3.5(6) . .
C1 C13 C14 C15 -173.2(4) 2_656 .
Sm1 C13 C14 C15 -64.9(4) . .
C12 C13 C14 Sm1 68.4(3) . .
C1 C13 C14 Sm1 -108.3(4) 2_656 .
N1 Sm1 C14 C13 -95.4(3) . .
N1 Sm1 C14 C13 26.9(3) 2_656 .
Cl1 Sm1 C14 C13 149.8(3) . .
C12 Sm1 C14 C13 -12.4(8) 2_656 .
C12 Sm1 C14 C13 -33.8(3) . .
C13 Sm1 C14 C13 -170.7(2) 2_656 .
C11 Sm1 C14 C13 43.7(4) 2_656 .
C11 Sm1 C14 C13 -68.1(3) . .
C14 Sm1 C14 C13 149.8(3) 2_656 .
C16 Sm1 C14 C13 80.3(3) 2_656 .
N1 Sm1 C14 C15 32.5(3) . .
N1 Sm1 C14 C15 154.8(3) 2_656 .
Cl1 Sm1 C14 C15 -82.3(3) . .
C12 Sm1 C14 C15 115.5(7) 2_656 .
C12 Sm1 C14 C15 94.0(3) . .
C13 Sm1 C14 C15 -42.9(5) 2_656 .
C13 Sm1 C14 C15 127.9(4) . .
C11 Sm1 C14 C15 171.6(2) 2_656 .
C11 Sm1 C14 C15 59.8(3) . .
C14 Sm1 C14 C15 -82.3(3) 2_656 .
C16 Sm1 C14 C15 -151.8(3) 2_656 .
C13 C14 C15 C16 0.8(6) . .
Sm1 C14 C15 C16 -58.6(4) . .
C14 C15 C16 C11 -2.9(6) . .
C14 C15 C16 Sm1 58.4(4) . .
C12 C11 C16 C15 0.5(6) . .
C8 C11 C16 C15 175.7(3) . .
Sm1 C11 C16 C15 66.5(4) . .
C12 C11 C16 Sm1 -66.0(3) . .
C8 C11 C16 Sm1 109.2(3) . .
N1 Sm1 C16 C15 158.0(3) . .
N1 Sm1 C16 C15 -87.6(3) 2_656 .
Cl1 Sm1 C16 C15 35.0(3) . .
C12 Sm1 C16 C15 164.3(2) 2_656 .
C12 Sm1 C16 C15 -95.1(3) . .
C13 Sm1 C16 C15 128.8(3) 2_656 .
C13 Sm1 C16 C15 -59.5(3) . .
C11 Sm1 C16 C15 -163.8(3) 2_656 .
C11 Sm1 C16 C15 -126.9(4) . .
C14 Sm1 C16 C15 96.8(3) 2_656 .
C14 Sm1 C16 C15 -27.7(2) . .
C16 Sm1 C16 C15 34.9(3) 2_656 .
N1 Sm1 C16 C11 -75.1(3) . .
N1 Sm1 C16 C11 39.3(3) 2_656 .
Cl1 Sm1 C16 C11 161.9(2) . .
C12 Sm1 C16 C11 -68.8(3) 2_656 .
C12 Sm1 C16 C11 31.7(2) . .
C13 Sm1 C16 C11 -104.4(3) 2_656 .
C13 Sm1 C16 C11 67.3(2) . .
C11 Sm1 C16 C11 -37.0(5) 2_656 .
C14 Sm1 C16 C11 -136.3(2) 2_656 .
C14 Sm1 C16 C11 99.1(3) . .
C16 Sm1 C16 C11 161.8(2) 2_656 .
