#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:17:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179808 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/04/7010409.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_7010409
loop_
_publ_author_name
'Coward, Kathleen M.'
'Jones, Anthony C.'
'Steiner, Alexander'
'Bickley, Jamie F.'
'Smith, Lesley M.'
'Pemble, Martyn E.'
_publ_section_title
;
 Synthesis and crystal structures of trimethylindium adducts with
 bidentate and macrocyclic tertiary amines
;
_journal_issue                   1
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              41
_journal_paper_doi               10.1039/b008600m
_journal_year                    2001
_chemical_formula_sum            'C37 H53 In N4'
_chemical_formula_weight         668.76
_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                108.27(3)
_cell_angle_beta                 91.13(4)
_cell_angle_gamma                105.45(4)
_cell_formula_units_Z            2
_cell_length_a                   10.641(5)
_cell_length_b                   10.763(4)
_cell_length_c                   16.634(4)
_cell_measurement_temperature    213(2)
_cell_volume                     1732.5(12)
_computing_data_collection       'IPDS (STOE, 1997)'
_computing_data_reduction        'X-RED (STOE, 1996)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       'Image Plate'
_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  0.0813
_diffrn_reflns_av_sigmaI/netI    0.1029
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9330
_diffrn_reflns_theta_full        22.49
_diffrn_reflns_theta_max         22.49
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.637
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.555
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.855
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4310
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.855
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0253P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0809
_reflns_number_gt                3073
_reflns_number_total             4310
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b008600m.txt
_cod_data_source_block           tony10
_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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0253P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0253P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1732.5(11)
_cod_database_code               7010409
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
In1 In 0.09353(4) 0.06275(4) 0.33251(2) 0.03452(14) Uani 1 d . . .
N1 N -0.1694(4) 0.0296(4) 0.3201(2) 0.0282(10) Uani 1 d . . .
N2 N -0.7768(4) 0.5421(5) 0.3014(3) 0.0545(14) Uani 1 d . . .
N3 N 0.3702(4) 0.0960(4) 0.3467(2) 0.0289(10) Uani 1 d . . .
N4 N 0.9960(4) -0.2938(5) 0.0220(2) 0.0412(12) Uani 1 d . . .
C1 C 0.0619(5) -0.1390(5) 0.3421(3) 0.0431(13) Uani 1 d . . .
H1A H 0.0482 -0.2058 0.2854 0.052 Uiso 1 calc R . .
H1B H -0.0148 -0.1600 0.3714 0.052 Uiso 1 calc R . .
H1C H 0.1382 -0.1416 0.3738 0.052 Uiso 1 calc R . .
C2 C 0.1273(5) 0.2343(5) 0.4517(3) 0.0484(15) Uani 1 d . . .
H2A H 0.1179 0.2001 0.4993 0.058 Uiso 1 calc R . .
H2B H 0.0638 0.2841 0.4511 0.058 Uiso 1 calc R . .
H2C H 0.2152 0.2948 0.4574 0.058 Uiso 1 calc R . .
C3 C 0.1052(5) 0.0943(6) 0.2107(3) 0.0455(14) Uani 1 d . . .
H3A H 0.0874 0.0068 0.1657 0.055 Uiso 1 calc R . .
H3B H 0.1925 0.1505 0.2090 0.055 Uiso 1 calc R . .
H3C H 0.0410 0.1399 0.2027 0.055 Uiso 1 calc R . .
C4 C -0.2140(5) 0.0043(6) 0.3991(3) 0.0447(14) Uani 1 d . . .
H4A H -0.1963 -0.0783 0.4018 0.054 Uiso 1 calc R . .
H4B H -0.3074 -0.0064 0.3987 0.054 Uiso 1 calc R . .
H4C H -0.1672 0.0810 0.4483 0.054 Uiso 1 calc R . .
C5 C -0.2229(5) -0.0966(5) 0.2460(3) 0.0460(14) Uani 1 d . . .
H5A H -0.2045 -0.1729 0.2580 0.055 Uiso 1 calc R . .
H5B H -0.1823 -0.0851 0.1961 0.055 Uiso 1 calc R . .
H5C H -0.3171 -0.1142 0.2354 0.055 Uiso 1 calc R . .
C6 C -0.1909(4) 0.1491(5) 0.3099(3) 0.0267(12) Uani 1 d . . .
C7 C -0.2218(5) 0.1553(5) 0.2295(3) 0.0387(14) Uani 1 d . . .
H7 H -0.2328 0.0779 0.1809 0.046 Uiso 1 calc R . .
C8 C -0.2364(5) 0.2754(6) 0.2211(3) 0.0411(14) Uani 1 d . . .
H8 H -0.2556 0.2771 0.1661 0.049 Uiso 1 calc R . .
C9 C -0.2240(4) 0.3920(5) 0.2895(3) 0.0335(12) Uani 1 d . . .
C10 C -0.1941(5) 0.3844(5) 0.3688(3) 0.0406(14) Uani 1 d . . .
H10 H -0.1841 0.4619 0.4172 0.049 Uiso 1 calc R . .
C11 C -0.1785(5) 0.2679(5) 0.3794(3) 0.0385(14) Uani 1 d . . .
H11 H -0.1590 0.2676 0.4347 0.046 Uiso 1 calc R . .
C12 C -0.2461(5) 0.5182(5) 0.2787(3) 0.0462(15) Uani 1 d . . .
H12A H -0.2207 0.5232 0.2233 0.055 Uiso 1 calc R . .
H12B H -0.1887 0.5985 0.3228 0.055 Uiso 1 calc R . .
C13 C -0.3856(4) 0.5242(5) 0.2841(3) 0.0307(13) Uani 1 d . . .
C14 C -0.4808(5) 0.4607(5) 0.2148(3) 0.0348(13) Uani 1 d . . .
H14 H -0.4570 0.4135 0.1623 0.042 Uiso 1 calc R . .
C15 C -0.6089(5) 0.4638(5) 0.2196(3) 0.0318(12) Uani 1 d . . .
H15 H -0.6701 0.4184 0.1707 0.038 Uiso 1 calc R . .
C16 C -0.6500(5) 0.5331(5) 0.2955(3) 0.0344(13) Uani 1 d . . .
C17 C -0.5552(5) 0.5950(5) 0.3659(3) 0.0429(15) Uani 1 d . . .
H17 H -0.5789 0.6410 0.4187 0.051 Uiso 1 calc R . .
C18 C -0.4290(5) 0.5907(5) 0.3602(3) 0.0452(15) Uani 1 d . . .
H18 H -0.3684 0.6342 0.4094 0.054 Uiso 1 calc R . .
C19 C -0.8729(5) 0.4793(6) 0.2285(4) 0.0652(19) Uani 1 d . . .
H19A H -0.9554 0.4969 0.2440 0.078 Uiso 1 calc R . .
H19B H -0.8850 0.3815 0.2082 0.078 Uiso 1 calc R . .
H19C H -0.8434 0.5167 0.1839 0.078 Uiso 1 calc R . .
C20 C -0.8265(6) 0.5807(7) 0.3824(4) 0.072(2) Uani 1 d . . .
H20A H -0.9164 0.5825 0.3739 0.086 Uiso 1 calc R . .
H20B H -0.7729 0.6706 0.4175 0.086 Uiso 1 calc R . .
H20C H -0.8239 0.5150 0.4107 0.086 Uiso 1 calc R . .
C21 C 0.3977(5) 0.0597(6) 0.4218(3) 0.0436(14) Uani 1 d . . .
H21A H 0.3767 0.1228 0.4720 0.052 Uiso 1 calc R . .
H21B H 0.4898 0.0649 0.4288 0.052 Uiso 1 calc R . .
H21C H 0.3446 -0.0325 0.4143 0.052 Uiso 1 calc R . .
C22 C 0.4299(5) 0.2413(5) 0.3630(3) 0.0435(14) Uani 1 d . . .
H22A H 0.4074 0.2931 0.4170 0.052 Uiso 1 calc R . .
H22B H 0.3975 0.2676 0.3177 0.052 Uiso 1 calc R . .
H22C H 0.5244 0.2601 0.3651 0.052 Uiso 1 calc R . .
C23 C 0.3977(4) 0.0092(5) 0.2673(3) 0.0259(11) Uani 1 d . . .
C24 C 0.4329(5) 0.0593(5) 0.2016(3) 0.0327(12) Uani 1 d . . .
H24 H 0.4431 0.1518 0.2092 0.039 Uiso 1 calc R . .
C25 C 0.4534(5) -0.0270(5) 0.1243(3) 0.0338(12) Uani 1 d . . .
H25 H 0.4770 0.0095 0.0805 0.041 Uiso 1 calc R . .
C26 C 0.4407(4) -0.1634(5) 0.1090(3) 0.0281(12) Uani 1 d . . .
C27 C 0.4053(5) -0.2117(5) 0.1751(3) 0.0366(13) Uani 1 d . . .
H27 H 0.3946 -0.3045 0.1669 0.044 Uiso 1 calc R . .
C28 C 0.3847(5) -0.1292(5) 0.2530(3) 0.0345(12) Uani 1 d . . .
H28 H 0.3618 -0.1662 0.2967 0.041 Uiso 1 calc R . .
C29 C 0.4679(5) -0.2539(5) 0.0246(3) 0.0399(14) Uani 1 d . . .
H29A H 0.4071 -0.3458 0.0112 0.048 Uiso 1 calc R . .
H29B H 0.4499 -0.2180 -0.0203 0.048 Uiso 1 calc R . .
C30 C 0.6070(5) -0.2648(5) 0.0234(3) 0.0275(12) Uani 1 d . . .
C31 C 0.7026(5) -0.1872(5) -0.0097(3) 0.0328(13) Uani 1 d . . .
H31 H 0.6795 -0.1259 -0.0328 0.039 Uiso 1 calc R . .
C32 C 0.8304(5) -0.1939(5) -0.0112(3) 0.0350(13) Uani 1 d . . .
H32 H 0.8908 -0.1391 -0.0355 0.042 Uiso 1 calc R . .
C33 C 0.8699(5) -0.2812(5) 0.0233(3) 0.0279(12) Uani 1 d . . .
C34 C 0.7729(5) -0.3611(5) 0.0571(3) 0.0341(13) Uani 1 d . . .
H34 H 0.7951 -0.4222 0.0808 0.041 Uiso 1 calc R . .
C35 C 0.6466(5) -0.3522(5) 0.0564(3) 0.0318(12) Uani 1 d . . .
H35 H 0.5848 -0.4080 0.0795 0.038 Uiso 1 calc R . .
C36 C 1.0924(5) -0.2070(7) -0.0114(3) 0.0546(16) Uani 1 d . . .
H36A H 1.1754 -0.2275 -0.0082 0.066 Uiso 1 calc R . .
H36B H 1.1035 -0.1122 0.0219 0.066 Uiso 1 calc R . .
H36C H 1.0633 -0.2228 -0.0703 0.066 Uiso 1 calc R . .
C37 C 1.0474(5) -0.3361(6) 0.0867(3) 0.0552(17) Uani 1 d . . .
H37A H 1.1365 -0.3393 0.0778 0.066 Uiso 1 calc R . .
H37B H 0.9931 -0.4260 0.0833 0.066 Uiso 1 calc R . .
H37C H 1.0473 -0.2713 0.1424 0.066 Uiso 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 0.0020 0.0020 '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 0.0040 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.9360 1.3100 '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
_geom_angle_publ_flag
C3 In1 C1 121.1(2) . . ?
C3 In1 C2 121.5(2) . . ?
C1 In1 C2 117.3(2) . . ?
C3 In1 N1 90.99(16) . . ?
C1 In1 N1 90.82(16) . . ?
C2 In1 N1 92.03(16) . . ?
C3 In1 N3 89.51(16) . . ?
C1 In1 N3 88.72(16) . . ?
C2 In1 N3 87.91(16) . . ?
N1 In1 N3 179.45(12) . . ?
C6 N1 C5 114.5(3) . . ?
C6 N1 C4 114.0(4) . . ?
C5 N1 C4 109.5(4) . . ?
C6 N1 In1 108.2(3) . . ?
C5 N1 In1 103.9(3) . . ?
C4 N1 In1 105.9(3) . . ?
C16 N2 C19 120.6(4) . . ?
C16 N2 C20 121.3(4) . . ?
C19 N2 C20 116.0(5) . . ?
C23 N3 C22 114.0(4) . . ?
C23 N3 C21 114.8(4) . . ?
C22 N3 C21 110.2(4) . . ?
C23 N3 In1 107.1(2) . . ?
C22 N3 In1 104.5(3) . . ?
C21 N3 In1 105.3(3) . . ?
C33 N4 C36 118.9(4) . . ?
C33 N4 C37 119.1(4) . . ?
C36 N4 C37 115.2(4) . . ?
C7 C6 C11 116.4(4) . . ?
C7 C6 N1 121.5(4) . . ?
C11 C6 N1 122.0(4) . . ?
C8 C7 C6 120.3(4) . . ?
C9 C8 C7 123.1(4) . . ?
C8 C9 C10 116.0(5) . . ?
C8 C9 C12 121.9(4) . . ?
C10 C9 C12 122.1(5) . . ?
C11 C10 C9 122.4(4) . . ?
C10 C11 C6 121.7(4) . . ?
C9 C12 C13 114.1(4) . . ?
C14 C13 C18 115.3(4) . . ?
C14 C13 C12 122.3(4) . . ?
C18 C13 C12 122.3(4) . . ?
C15 C14 C13 122.6(4) . . ?
C14 C15 C16 121.4(4) . . ?
N2 C16 C17 121.2(4) . . ?
N2 C16 C15 122.6(4) . . ?
C17 C16 C15 116.2(4) . . ?
C18 C17 C16 121.7(4) . . ?
C17 C18 C13 122.7(4) . . ?
C24 C23 C28 117.7(4) . . ?
C24 C23 N3 120.7(4) . . ?
C28 C23 N3 121.5(4) . . ?
C23 C24 C25 120.1(4) . . ?
C26 C25 C24 123.1(5) . . ?
C27 C26 C25 116.1(4) . . ?
C27 C26 C29 122.2(4) . . ?
C25 C26 C29 121.8(5) . . ?
C26 C27 C28 122.6(4) . . ?
C27 C28 C23 120.4(5) . . ?
C30 C29 C26 114.3(3) . . ?
C35 C30 C31 115.4(4) . . ?
C35 C30 C29 122.0(5) . . ?
C31 C30 C29 122.6(5) . . ?
C30 C31 C32 124.0(5) . . ?
C31 C32 C33 120.2(5) . . ?
N4 C33 C32 122.6(5) . . ?
N4 C33 C34 121.2(4) . . ?
C32 C33 C34 116.2(4) . . ?
C35 C34 C33 121.6(4) . . ?
C34 C35 C30 122.6(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
In1 C3 2.157(5) . ?
In1 C1 2.164(5) . ?
In1 C2 2.189(5) . ?
In1 N1 2.720(4) . ?
In1 N3 2.865(4) . ?
N1 C6 1.424(6) . ?
N1 C5 1.483(5) . ?
N1 C4 1.486(6) . ?
N2 C16 1.382(6) . ?
N2 C19 1.429(6) . ?
N2 C20 1.436(7) . ?
N3 C23 1.446(5) . ?
N3 C22 1.456(6) . ?
N3 C21 1.468(6) . ?
N4 C33 1.384(6) . ?
N4 C36 1.439(7) . ?
N4 C37 1.442(6) . ?
C6 C7 1.396(6) . ?
C6 C11 1.402(6) . ?
C7 C8 1.391(7) . ?
C8 C9 1.377(7) . ?
C9 C10 1.383(7) . ?
C9 C12 1.502(7) . ?
C10 C11 1.371(7) . ?
C12 C13 1.506(7) . ?
C13 C14 1.383(6) . ?
C13 C18 1.399(7) . ?
C14 C15 1.377(6) . ?
C15 C16 1.395(6) . ?
C16 C17 1.392(6) . ?
C17 C18 1.360(7) . ?
C23 C24 1.379(6) . ?
C23 C28 1.400(6) . ?
C24 C25 1.390(6) . ?
C25 C26 1.377(6) . ?
C26 C27 1.375(7) . ?
C26 C29 1.520(6) . ?
C27 C28 1.381(6) . ?
C29 C30 1.515(6) . ?
C30 C35 1.375(6) . ?
C30 C31 1.377(7) . ?
C31 C32 1.381(7) . ?
C32 C33 1.388(6) . ?
C33 C34 1.405(7) . ?
C34 C35 1.373(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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 In1 N1 C6 -57.4(3) . . . . ?
C1 In1 N1 C6 -178.5(3) . . . . ?
C2 In1 N1 C6 64.2(3) . . . . ?
N3 In1 N1 C6 148(11) . . . . ?
C3 In1 N1 C5 64.8(3) . . . . ?
C1 In1 N1 C5 -56.3(3) . . . . ?
C2 In1 N1 C5 -173.7(3) . . . . ?
N3 In1 N1 C5 -89(11) . . . . ?
C3 In1 N1 C4 -179.9(3) . . . . ?
C1 In1 N1 C4 59.0(3) . . . . ?
C2 In1 N1 C4 -58.4(3) . . . . ?
N3 In1 N1 C4 26(11) . . . . ?
C3 In1 N3 C23 -49.1(3) . . . . ?
C1 In1 N3 C23 72.0(3) . . . . ?
C2 In1 N3 C23 -170.6(3) . . . . ?
N1 In1 N3 C23 105(11) . . . . ?
C3 In1 N3 C22 72.1(3) . . . . ?
C1 In1 N3 C22 -166.8(3) . . . . ?
C2 In1 N3 C22 -49.4(3) . . . . ?
N1 In1 N3 C22 -134(11) . . . . ?
C3 In1 N3 C21 -171.7(3) . . . . ?
C1 In1 N3 C21 -50.6(3) . . . . ?
C2 In1 N3 C21 66.7(3) . . . . ?
N1 In1 N3 C21 -18(11) . . . . ?
C5 N1 C6 C7 -18.8(6) . . . . ?
C4 N1 C6 C7 -146.0(5) . . . . ?
In1 N1 C6 C7 96.6(4) . . . . ?
C5 N1 C6 C11 163.1(4) . . . . ?
C4 N1 C6 C11 35.9(6) . . . . ?
In1 N1 C6 C11 -81.5(5) . . . . ?
C11 C6 C7 C8 1.2(7) . . . . ?
N1 C6 C7 C8 -177.0(4) . . . . ?
C6 C7 C8 C9 -1.2(8) . . . . ?
C7 C8 C9 C10 0.8(8) . . . . ?
C7 C8 C9 C12 -177.3(5) . . . . ?
C8 C9 C10 C11 -0.5(8) . . . . ?
C12 C9 C10 C11 177.5(5) . . . . ?
C9 C10 C11 C6 0.6(8) . . . . ?
C7 C6 C11 C10 -0.9(7) . . . . ?
N1 C6 C11 C10 177.3(5) . . . . ?
C8 C9 C12 C13 90.3(6) . . . . ?
C10 C9 C12 C13 -87.6(6) . . . . ?
C9 C12 C13 C14 -84.0(6) . . . . ?
C9 C12 C13 C18 94.0(6) . . . . ?
C18 C13 C14 C15 0.8(7) . . . . ?
C12 C13 C14 C15 178.9(5) . . . . ?
C13 C14 C15 C16 0.5(8) . . . . ?
C19 N2 C16 C17 179.3(5) . . . . ?
C20 N2 C16 C17 -17.7(8) . . . . ?
C19 N2 C16 C15 0.2(8) . . . . ?
C20 N2 C16 C15 163.2(5) . . . . ?
C14 C15 C16 N2 177.5(5) . . . . ?
C14 C15 C16 C17 -1.6(7) . . . . ?
N2 C16 C17 C18 -177.7(5) . . . . ?
C15 C16 C17 C18 1.4(8) . . . . ?
C16 C17 C18 C13 -0.1(9) . . . . ?
C14 C13 C18 C17 -1.0(8) . . . . ?
C12 C13 C18 C17 -179.1(5) . . . . ?
C22 N3 C23 C24 -22.6(6) . . . . ?
C21 N3 C23 C24 -151.2(4) . . . . ?
In1 N3 C23 C24 92.4(4) . . . . ?
C22 N3 C23 C28 159.9(4) . . . . ?
C21 N3 C23 C28 31.4(6) . . . . ?
In1 N3 C23 C28 -85.1(4) . . . . ?
C28 C23 C24 C25 0.4(7) . . . . ?
N3 C23 C24 C25 -177.1(4) . . . . ?
C23 C24 C25 C26 -0.2(7) . . . . ?
C24 C25 C26 C27 0.4(7) . . . . ?
C24 C25 C26 C29 -178.1(4) . . . . ?
C25 C26 C27 C28 -0.7(7) . . . . ?
C29 C26 C27 C28 177.7(4) . . . . ?
C26 C27 C28 C23 0.9(7) . . . . ?
C24 C23 C28 C27 -0.7(7) . . . . ?
N3 C23 C28 C27 176.8(4) . . . . ?
C27 C26 C29 C30 -85.2(6) . . . . ?
C25 C26 C29 C30 93.2(6) . . . . ?
C26 C29 C30 C35 81.3(6) . . . . ?
C26 C29 C30 C31 -97.9(5) . . . . ?
C35 C30 C31 C32 0.2(6) . . . . ?
C29 C30 C31 C32 179.4(4) . . . . ?
C30 C31 C32 C33 -1.0(7) . . . . ?
C36 N4 C33 C32 4.1(6) . . . . ?
C37 N4 C33 C32 153.7(5) . . . . ?
C36 N4 C33 C34 -178.4(4) . . . . ?
C37 N4 C33 C34 -28.8(6) . . . . ?
C31 C32 C33 N4 178.7(4) . . . . ?
C31 C32 C33 C34 1.0(6) . . . . ?
N4 C33 C34 C35 -178.1(4) . . . . ?
C32 C33 C34 C35 -0.4(6) . . . . ?
C33 C34 C35 C30 -0.4(6) . . . . ?
C31 C30 C35 C34 0.5(6) . . . . ?
C29 C30 C35 C34 -178.8(4) . . . . ?
