data_c2c
_audit_creation_date               2020-06-29
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2014/7'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           '3(Br4 Mn), 6(C9 H14 N)'
_chemical_formula_sum              'C54 H84 Br12 Mn3 N6'
_chemical_formula_weight           1941.01
_chemical_melting_point            ?
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'
 'Br' 'Br' -0.2901 2.4595
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Mn' 'Mn' 0.3368 0.7283 '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'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             15
_space_group_name_H-M_alt          'C 1 2/c 1'
_space_group_name_Hall             '-C 2yc'
loop_
  _space_group_symop_operation_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'

_cell_length_a                     16.8875(14)
_cell_length_b                     9.0640(6)
_cell_length_c                     46.877(3)
_cell_angle_alpha                  90
_cell_angle_beta                   92.765(4)
_cell_angle_gamma                  90
_cell_volume                       7167.0(9)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      2643
_cell_measurement_temperature      299(2)
_cell_measurement_theta_max        22.50
_cell_measurement_theta_min        2.55
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      7.247
_exptl_absorpt_correction_T_max    ?
_exptl_absorpt_correction_T_min    ?
_exptl_absorpt_correction_type     'none'
_exptl_absorpt_process_details     ?
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'pale yellow'
_exptl_crystal_density_diffrn      1.799
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               3780
_exptl_crystal_size_max            ?
_exptl_crystal_size_mid            ?
_exptl_crystal_size_min            ?
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0381
_diffrn_reflns_av_unetI/netI       0.0623
_diffrn_reflns_Laue_measured_fraction_full  0.973
_diffrn_reflns_Laue_measured_fraction_max  0.966
_diffrn_reflns_limit_h_max         19
_diffrn_reflns_limit_h_min         -13
_diffrn_reflns_limit_k_max         11
_diffrn_reflns_limit_k_min         -10
_diffrn_reflns_limit_l_max         57
_diffrn_reflns_limit_l_min         -57
_diffrn_reflns_number              13994
_diffrn_reflns_point_group_measured_fraction_full  0.973
_diffrn_reflns_point_group_measured_fraction_max  0.966
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           26.094
_diffrn_reflns_theta_min           0.870
_diffrn_ambient_temperature        299.36
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.973
_diffrn_measured_fraction_theta_max  0.966
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  4073
_reflns_number_total               6867
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         ?
_computing_data_collection         ?
_computing_data_reduction          ?
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'XL (Sheldrick, 2008)'
_computing_structure_solution      ?
_refine_diff_density_max           2.904
_refine_diff_density_min           -1.363
_refine_diff_density_rms           0.244
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.045
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       333
_refine_ls_number_reflns           6867
_refine_ls_number_restraints       4
_refine_ls_R_factor_all            0.1437
_refine_ls_R_factor_gt             0.0897
_refine_ls_restrained_S_all        1.049
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.1928P)²+73.8754P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.2785
_refine_ls_wR_factor_ref           0.3200
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C11-C12
 1.39 with sigma of 0.02
 C2-C3
 1.5 with sigma of 0.02
 C5-C6
 1.4 with sigma of 0.02
 C3-C4
 1.5 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24)
3.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       ?
_atom_sites_solution_secondary     ?
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_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Br03 Br 1.08364(10) 0.18990(17) 0.72360(3) 0.0643(5) Uani 1 1 d . . . . .
 Br04 Br 0.92721(10) -0.13857(18) 0.71568(4) 0.0693(5) Uani 1 1 d . . . . .
 Mn01 Mn 1.0000 0.0205(2) 0.7500 0.0257(5) Uani 1 2 d S T P . .
 Br05 Br 0.67846(10) 0.50566(19) 0.55126(4) 0.0704(5) Uani 1 1 d . . . . .
 Br06 Br 0.71733(11) 0.74163(18) 0.62227(4) 0.0740(5) Uani 1 1 d . . . . .
 Br07 Br 0.87112(11) 0.7524(2) 0.56201(4) 0.0754(6) Uani 1 1 d . . . . .
 Br08 Br 0.84388(12) 0.3811(2) 0.61051(5) 0.0857(6) Uani 1 1 d . . . . .
 Mn02 Mn 0.77955(10) 0.59146(16) 0.58672(3) 0.0294(4) Uani 1 1 d . . . . .
 N1 N 0.6721(7) 0.0286(12) 0.5297(2) 0.053(3) Uani 1 1 d . . . . .
 C1 C 0.6170(7) 0.1156(12) 0.5111(3) 0.037(3) Uani 1 1 d . . . . .
 C2 C 0.6222(9) 0.1078(18) 0.4834(3) 0.067(5) Uani 1 1 d D . . . .
 H2 H 0.6599 0.0467 0.4757 0.081 Uiso 1 1 calc R . . . .
 C3 C 0.5711(10) 0.191(2) 0.4652(3) 0.089(6) Uani 1 1 d D . . . .
 H3 H 0.5719 0.1796 0.4455 0.107 Uiso 1 1 calc R . . . .
 C4 C 0.5192(8) 0.2915(17) 0.4768(4) 0.068(4) Uani 1 1 d D . . . .
 H4 H 0.4885 0.3551 0.4653 0.081 Uiso 1 1 calc R . . . .
 C5 C 0.5155(8) 0.2925(17) 0.5051(4) 0.066(4) Uani 1 1 d D . . . .
 H5 H 0.4786 0.3543 0.5130 0.079 Uiso 1 1 calc R . . . .
 C6 C 0.5627(8) 0.2079(14) 0.5232(3) 0.052(3) Uani 1 1 d D . . . .
 H6 H 0.5584 0.2125 0.5429 0.062 Uiso 1 1 calc R . . . .
 C7 C 0.6872(11) -0.122(2) 0.5160(4) 0.081(5) Uiso 1 1 d . . . . .
 H7A H 0.6404 -0.1536 0.5052 0.121 Uiso 1 1 calc GR . . . .
 H7B H 0.7001 -0.1935 0.5307 0.121 Uiso 1 1 calc GR . . . .
 H7C H 0.7304 -0.1145 0.5035 0.121 Uiso 1 1 calc GR . . . .
 C8 C 0.6563(15) 0.008(3) 0.5591(6) 0.125(8) Uiso 1 1 d . . . . .
 H8A H 0.6592 0.1019 0.5687 0.187 Uiso 1 1 calc GR . . . .
 H8B H 0.6948 -0.0576 0.5678 0.187 Uiso 1 1 calc GR . . . .
 H8C H 0.6042 -0.0324 0.5606 0.187 Uiso 1 1 calc GR . . . .
 C9 C 0.7581(12) 0.103(2) 0.5287(5) 0.101(6) Uiso 1 1 d . . . . .
 H9A H 0.7687 0.1265 0.5093 0.151 Uiso 1 1 calc GR . . . .
 H9B H 0.7975 0.0351 0.5362 0.151 Uiso 1 1 calc GR . . . .
 H9C H 0.7596 0.1914 0.5399 0.151 Uiso 1 1 calc GR . . . .
 N2 N 0.4821(5) 0.4994(9) 0.62805(18) 0.030(2) Uani 1 1 d . . . . .
 C10 C 0.5250(6) 0.3530(12) 0.6287(2) 0.031(2) Uani 1 1 d . . . . .
 C11 C 0.6040(8) 0.3534(13) 0.6258(3) 0.046(3) Uani 1 1 d D . . . .
 H11 H 0.6316 0.4416 0.6241 0.055 Uiso 1 1 calc R . . . .
 C12 C 0.6440(9) 0.2159(17) 0.6252(3) 0.061(4) Uani 1 1 d D . . . .
 H12 H 0.6983 0.2129 0.6227 0.073 Uiso 1 1 calc R . . . .
 C13 C 0.6041(12) 0.0926(15) 0.6282(3) 0.063(4) Uani 1 1 d . . . . .
 H13 H 0.6309 0.0029 0.6282 0.075 Uiso 1 1 calc R . . . .
 C14 C 0.5264(10) 0.0940(15) 0.6314(3) 0.060(4) Uani 1 1 d . . . . .
 H14 H 0.4998 0.0051 0.6336 0.072 Uiso 1 1 calc R . . . .
 C15 C 0.4853(8) 0.2206(14) 0.6315(3) 0.047(3) Uani 1 1 d . . . . .
 H15 H 0.4308 0.2194 0.6335 0.056 Uiso 1 1 calc R . . . .
 C16 C 0.5180(8) 0.5964(15) 0.6513(3) 0.052(3) Uani 1 1 d . . . . .
 H16A H 0.5157 0.5471 0.6693 0.078 Uiso 1 1 calc GR . . . .
 H16B H 0.4890 0.6874 0.6518 0.078 Uiso 1 1 calc GR . . . .
 H16C H 0.5723 0.6167 0.6475 0.078 Uiso 1 1 calc GR . . . .
 C17 C 0.4936(8) 0.5691(14) 0.6004(3) 0.048(3) Uani 1 1 d . . . . .
 H17A H 0.5492 0.5732 0.5970 0.072 Uiso 1 1 calc GR . . . .
 H17B H 0.4723 0.6673 0.6004 0.072 Uiso 1 1 calc GR . . . .
 H17C H 0.4668 0.5124 0.5855 0.072 Uiso 1 1 calc GR . . . .
 C18 C 0.3981(7) 0.4863(15) 0.6327(3) 0.049(3) Uani 1 1 d . . . . .
 H18A H 0.3741 0.4200 0.6188 0.074 Uiso 1 1 calc GR . . . .
 H18B H 0.3735 0.5815 0.6308 0.074 Uiso 1 1 calc GR . . . .
 H18C H 0.3910 0.4486 0.6515 0.074 Uiso 1 1 calc GR . . . .
 N3 N 0.8082(5) 0.4454(10) 0.70538(18) 0.033(2) Uani 1 1 d . . . . .
 C19 C 0.7580(7) 0.3104(12) 0.7019(2) 0.033(2) Uani 1 1 d . . . . .
 C20 C 0.7919(8) 0.1750(14) 0.6967(2) 0.045(3) Uani 1 1 d . . . . .
 H20 H 0.8466 0.1673 0.6957 0.054 Uiso 1 1 calc R . . . .
 C21 C 0.7456(10) 0.0523(15) 0.6931(3) 0.056(4) Uani 1 1 d . . . . .
 H21 H 0.7687 -0.0383 0.6893 0.067 Uiso 1 1 calc R . . . .
 C22 C 0.6649(9) 0.0624(16) 0.6951(3) 0.052(3) Uani 1 1 d . . . . .
 H22 H 0.6325 -0.0198 0.6923 0.063 Uiso 1 1 calc R . . . .
 C23 C 0.6336(8) 0.1967(16) 0.7015(3) 0.050(3) Uani 1 1 d . . . . .
 H23 H 0.5793 0.2042 0.7037 0.060 Uiso 1 1 calc R . . . .
 C24 C 0.6796(8) 0.3218(15) 0.7048(3) 0.046(3) Uani 1 1 d . . . . .
 H24 H 0.6568 0.4122 0.7090 0.055 Uiso 1 1 calc R . . . .
 C25 C 0.8932(8) 0.4212(16) 0.7020(3) 0.058(4) Uani 1 1 d . . . . .
 H25A H 0.9029 0.3178 0.6993 0.087 Uiso 1 1 calc GR . . . .
 H25B H 0.9226 0.4548 0.7188 0.087 Uiso 1 1 calc GR . . . .
 H25C H 0.9098 0.4750 0.6857 0.087 Uiso 1 1 calc GR . . . .
 C26 C 0.7784(9) 0.5571(15) 0.6841(3) 0.054(3) Uani 1 1 d . . . . .
 H26A H 0.7768 0.5145 0.6653 0.081 Uiso 1 1 calc GR . . . .
 H26B H 0.8132 0.6409 0.6847 0.081 Uiso 1 1 calc GR . . . .
 H26C H 0.7261 0.5878 0.6886 0.081 Uiso 1 1 calc GR . . . .
 C27 C 0.7959(9) 0.5064(15) 0.7355(3) 0.054(4) Uani 1 1 d . . . . .
 H27A H 0.7451 0.5535 0.7359 0.081 Uiso 1 1 calc GR . . . .
 H27B H 0.8368 0.5769 0.7405 0.081 Uiso 1 1 calc GR . . . .
 H27C H 0.7984 0.4268 0.7491 0.081 Uiso 1 1 calc GR . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
 Br03 Mn01 2.4602(19) . ?
 Br04 Mn01 2.4470(19) . ?
 Mn01 Br03 2.4601(19) 2_756 ?
 Mn01 Br04 2.4470(19) 2_756 ?
 Br05 Mn02 2.451(2) . ?
 Br06 Mn02 2.430(2) . ?
 Br07 Mn02 2.457(2) . ?
 Br08 Mn02 2.438(2) . ?
 N1 C1 1.474(15) . ?
 N1 C7 1.54(2) . ?
 N1 C8 1.43(3) . ?
 N1 C9 1.60(2) . ?
 C1 C2 1.309(17) . ?
 C1 C6 1.382(17) . ?
 C2 H2 0.9300 . ?
 C2 C3 1.404(14) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.391(15) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.33(2) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.372(15) . ?
 C6 H6 0.9300 . ?
 C7 H7A 0.9600 . ?
 C7 H7B 0.9600 . ?
 C7 H7C 0.9600 . ?
 C8 H8A 0.9600 . ?
 C8 H8B 0.9600 . ?
 C8 H8C 0.9600 . ?
 C9 H9A 0.9600 . ?
 C9 H9B 0.9600 . ?
 C9 H9C 0.9600 . ?
 N2 C10 1.511(13) . ?
 N2 C16 1.503(15) . ?
 N2 C17 1.465(14) . ?
 N2 C18 1.451(15) . ?
 C10 C11 1.349(17) . ?
 C10 C15 1.384(16) . ?
 C11 H11 0.9300 . ?
 C11 C12 1.418(14) . ?
 C12 H12 0.9300 . ?
 C12 C13 1.32(2) . ?
 C13 H13 0.9300 . ?
 C13 C14 1.33(2) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.341(19) . ?
 C15 H15 0.9300 . ?
 C16 H16A 0.9600 . ?
 C16 H16B 0.9600 . ?
 C16 H16C 0.9600 . ?
 C17 H17A 0.9600 . ?
 C17 H17B 0.9600 . ?
 C17 H17C 0.9600 . ?
 C18 H18A 0.9600 . ?
 C18 H18B 0.9600 . ?
 C18 H18C 0.9600 . ?
 N3 C19 1.494(15) . ?
 N3 C25 1.469(16) . ?
 N3 C26 1.491(15) . ?
 N3 C27 1.541(14) . ?
 C19 C20 1.381(16) . ?
 C19 C24 1.341(17) . ?
 C20 H20 0.9300 . ?
 C20 C21 1.37(2) . ?
 C21 H21 0.9300 . ?
 C21 C22 1.37(2) . ?
 C22 H22 0.9300 . ?
 C22 C23 1.37(2) . ?
 C23 H23 0.9300 . ?
 C23 C24 1.38(2) . ?
 C24 H24 0.9300 . ?
 C25 H25A 0.9600 . ?
 C25 H25B 0.9600 . ?
 C25 H25C 0.9600 . ?
 C26 H26A 0.9600 . ?
 C26 H26B 0.9600 . ?
 C26 H26C 0.9600 . ?
 C27 H27A 0.9600 . ?
 C27 H27B 0.9600 . ?
 C27 H27C 0.9600 . ?

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
 Br03 Mn01 Br03 102.77(10) 2_756 . ?
 Br04 Mn01 Br03 114.59(6) 2_756 . ?
 Br04 Mn01 Br03 108.63(6) 2_756 2_756 ?
 Br04 Mn01 Br03 114.59(6) . 2_756 ?
 Br04 Mn01 Br03 108.63(6) . . ?
 Br04 Mn01 Br04 107.79(11) 2_756 . ?
 Br05 Mn02 Br07 107.60(8) . . ?
 Br06 Mn02 Br05 109.44(9) . . ?
 Br06 Mn02 Br07 107.08(8) . . ?
 Br06 Mn02 Br08 108.80(9) . . ?
 Br08 Mn02 Br05 110.02(9) . . ?
 Br08 Mn02 Br07 113.80(9) . . ?
 C1 N1 C7 109.9(11) . . ?
 C1 N1 C9 107.7(12) . . ?
 C7 N1 C9 101.1(12) . . ?
 C8 N1 C1 119.9(14) . . ?
 C8 N1 C7 109.4(15) . . ?
 C8 N1 C9 107.2(15) . . ?
 C2 C1 N1 119.3(11) . . ?
 C2 C1 C6 121.2(12) . . ?
 C6 C1 N1 119.5(11) . . ?
 C1 C2 H2 119.9 . . ?
 C1 C2 C3 120.3(12) . . ?
 C3 C2 H2 119.9 . . ?
 C2 C3 H3 120.1 . . ?
 C4 C3 C2 119.8(13) . . ?
 C4 C3 H3 120.1 . . ?
 C3 C4 H4 121.5 . . ?
 C5 C4 C3 117.0(13) . . ?
 C5 C4 H4 121.5 . . ?
 C4 C5 H5 118.0 . . ?
 C4 C5 C6 124.1(13) . . ?
 C6 C5 H5 118.0 . . ?
 C1 C6 H6 121.3 . . ?
 C5 C6 C1 117.4(12) . . ?
 C5 C6 H6 121.3 . . ?
 N1 C7 H7A 109.5 . . ?
 N1 C7 H7B 109.5 . . ?
 N1 C7 H7C 109.5 . . ?
 H7A C7 H7B 109.5 . . ?
 H7A C7 H7C 109.5 . . ?
 H7B C7 H7C 109.5 . . ?
 N1 C8 H8A 109.5 . . ?
 N1 C8 H8B 109.5 . . ?
 N1 C8 H8C 109.5 . . ?
 H8A C8 H8B 109.5 . . ?
 H8A C8 H8C 109.5 . . ?
 H8B C8 H8C 109.5 . . ?
 N1 C9 H9A 109.5 . . ?
 N1 C9 H9B 109.5 . . ?
 N1 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 C16 N2 C10 108.8(9) . . ?
 C17 N2 C10 108.2(8) . . ?
 C17 N2 C16 108.8(10) . . ?
 C18 N2 C10 113.3(9) . . ?
 C18 N2 C16 107.6(9) . . ?
 C18 N2 C17 109.9(10) . . ?
 C11 C10 N2 118.1(10) . . ?
 C11 C10 C15 119.9(11) . . ?
 C15 C10 N2 122.0(10) . . ?
 C10 C11 H11 120.9 . . ?
 C10 C11 C12 118.3(12) . . ?
 C12 C11 H11 120.9 . . ?
 C11 C12 H12 120.1 . . ?
 C13 C12 C11 119.9(13) . . ?
 C13 C12 H12 120.1 . . ?
 C12 C13 H13 119.4 . . ?
 C12 C13 C14 121.2(13) . . ?
 C14 C13 H13 119.4 . . ?
 C13 C14 H14 119.2 . . ?
 C13 C14 C15 121.5(14) . . ?
 C15 C14 H14 119.2 . . ?
 C10 C15 H15 120.4 . . ?
 C14 C15 C10 119.3(13) . . ?
 C14 C15 H15 120.4 . . ?
 N2 C16 H16A 109.5 . . ?
 N2 C16 H16B 109.5 . . ?
 N2 C16 H16C 109.5 . . ?
 H16A C16 H16B 109.5 . . ?
 H16A C16 H16C 109.5 . . ?
 H16B C16 H16C 109.5 . . ?
 N2 C17 H17A 109.5 . . ?
 N2 C17 H17B 109.5 . . ?
 N2 C17 H17C 109.5 . . ?
 H17A C17 H17B 109.5 . . ?
 H17A C17 H17C 109.5 . . ?
 H17B C17 H17C 109.5 . . ?
 N2 C18 H18A 109.5 . . ?
 N2 C18 H18B 109.5 . . ?
 N2 C18 H18C 109.5 . . ?
 H18A C18 H18B 109.5 . . ?
 H18A C18 H18C 109.5 . . ?
 H18B C18 H18C 109.5 . . ?
 C19 N3 C27 107.2(9) . . ?
 C25 N3 C19 114.7(9) . . ?
 C25 N3 C26 109.2(10) . . ?
 C25 N3 C27 109.1(10) . . ?
 C26 N3 C19 108.1(9) . . ?
 C26 N3 C27 108.3(9) . . ?
 C20 C19 N3 120.6(11) . . ?
 C24 C19 N3 118.9(10) . . ?
 C24 C19 C20 120.4(12) . . ?
 C19 C20 H20 119.8 . . ?
 C21 C20 C19 120.3(12) . . ?
 C21 C20 H20 119.8 . . ?
 C20 C21 H21 120.0 . . ?
 C20 C21 C22 120.1(13) . . ?
 C22 C21 H21 120.0 . . ?
 C21 C22 H22 121.0 . . ?
 C23 C22 C21 118.0(13) . . ?
 C23 C22 H22 121.0 . . ?
 C22 C23 H23 118.8 . . ?
 C22 C23 C24 122.4(12) . . ?
 C24 C23 H23 118.8 . . ?
 C19 C24 C23 118.6(12) . . ?
 C19 C24 H24 120.7 . . ?
 C23 C24 H24 120.7 . . ?
 N3 C25 H25A 109.5 . . ?
 N3 C25 H25B 109.5 . . ?
 N3 C25 H25C 109.5 . . ?
 H25A C25 H25B 109.5 . . ?
 H25A C25 H25C 109.5 . . ?
 H25B C25 H25C 109.5 . . ?
 N3 C26 H26A 109.5 . . ?
 N3 C26 H26B 109.5 . . ?
 N3 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 N3 C27 H27A 109.5 . . ?
 N3 C27 H27B 109.5 . . ?
 N3 C27 H27C 109.5 . . ?
 H27A C27 H27B 109.5 . . ?
 H27A C27 H27C 109.5 . . ?
 H27B C27 H27C 109.5 . . ?

_olex2_submission_special_instructions  'No special instructions were received'
