#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:35:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179414 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/11/4331142.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_4331142
loop_
_publ_author_name
'Daniel Chartrand'
'Carlos A. Castro Ruiz'
'Garry S. Hanan'
_publ_contact_author_address
;
    Département de Chimie
    Université de Montréal
    C.P. 6128, Succ. Centre-ville
    Montréal, Québec
    Canada H3C 3J7
;
_publ_contact_author_email       garry.Hanan@umontreal.ca
_publ_contact_author_fax         '+1 514 343 2468'
_publ_contact_author_name        'Dr. Garry Hanan'
_publ_contact_author_phone       '+1 514 343 7056'
_publ_section_title
;
 Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an
 Electrochemical, Spectroscopic, and Computational Investigation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12738
_journal_page_last               12747
_journal_paper_doi               10.1021/ic301559s
_journal_volume                  51
_journal_year                    2012
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         'C19 H13 N'
_chemical_formula_sum            'C19 H13 N'
_chemical_formula_weight         255.30
_chemical_name_systematic
; 
   3-Fluoren-9-ylidenemethyl-pyridine
;
_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                90.475(3)
_cell_angle_beta                 96.308(3)
_cell_angle_gamma                105.025(3)
_cell_formula_units_Z            4
_cell_length_a                   6.2909(4)
_cell_length_b                   11.8465(7)
_cell_length_c                   18.5314(11)
_cell_measurement_reflns_used    4413
_cell_measurement_temperature    200
_cell_measurement_theta_max      71.52
_cell_measurement_theta_min      2.40
_cell_volume                     1324.79(14)
_computing_cell_refinement       'SAINT V7.34A (Bruker AXS, 2006b)'
_computing_data_collection       'APEX2 v2.1-0 (Bruker AXS, 2006a)'
_computing_data_reduction        'SAINT V7.34A (Bruker AXS, 2006b)'
_computing_molecular_graphics    'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_publication_material  'UdMX (Maris, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 5.5
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Bruker Smart 6000'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Montel 200 optics'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17194
_diffrn_reflns_theta_full        72.48
_diffrn_reflns_theta_max         72.48
_diffrn_reflns_theta_min         2.40
_diffrn_standards_decay_%        25.00
_diffrn_standards_interval_time  900
_diffrn_standards_number         113
_exptl_absorpt_coefficient_mu    0.571
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.8728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_description       plate
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.175
_refine_diff_density_min         -0.162
_refine_diff_density_rms         0.039
_refine_ls_extinction_coef       0.0075(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5031
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0472
_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)+(0.0650P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1151
_refine_ls_wR_factor_ref         0.1227
_reflns_number_gt                3347
_reflns_number_total             5031
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic301559s_si_001_2.cif
_cod_data_source_block           mFpy
_cod_database_code               4331142
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
N1 N 0.7573(3) 0.32548(13) 0.44320(8) 0.0533(4) Uani 1 1 d .
N2 N 0.9014(3) 0.25453(13) 0.10419(8) 0.0519(4) Uani 1 1 d .
C1 C 0.6715(3) 0.25446(15) 0.38535(9) 0.0462(4) Uani 1 1 d .
H1 H 0.5216 0.2483 0.3672 0.055 Uiso 1 1 calc R
C2 C 0.9712(3) 0.33473(16) 0.46716(10) 0.0539(5) Uani 1 1 d .
H2 H 1.0368 0.3846 0.5085 0.065 Uiso 1 1 calc R
C3 C 1.0999(3) 0.27571(16) 0.43490(10) 0.0502(5) Uani 1 1 d .
H3 H 1.2508 0.2855 0.4533 0.060 Uiso 1 1 calc R
C4 C 1.0057(3) 0.20204(15) 0.37529(9) 0.0434(4) Uani 1 1 d .
H4 H 1.0918 0.1608 0.3521 0.052 Uiso 1 1 calc R
C5 C 0.7840(3) 0.18859(14) 0.34940(9) 0.0385(4) Uani 1 1 d .
C6 C 0.6784(3) 0.11853(14) 0.28293(9) 0.0406(4) Uani 1 1 d .
H6 H 0.7652 0.1257 0.2436 0.049 Uiso 1 1 calc R
C7 C 0.4731(3) 0.04536(14) 0.27116(9) 0.0383(4) Uani 1 1 d .
C8 C 0.3569(3) 0.00069(14) 0.19866(9) 0.0388(4) Uani 1 1 d .
C9 C 0.4278(3) 0.01340(15) 0.13035(9) 0.0451(4) Uani 1 1 d .
H9 H 0.5767 0.0529 0.1247 0.054 Uiso 1 1 calc R
C10 C 0.2764(3) -0.03294(16) 0.07015(10) 0.0504(5) Uani 1 1 d .
H10 H 0.3232 -0.0253 0.0230 0.060 Uiso 1 1 calc R
C11 C 0.0591(3) -0.08983(16) 0.07786(10) 0.0507(5) Uani 1 1 d .
H11 H -0.0413 -0.1206 0.0360 0.061 Uiso 1 1 calc R
C12 C -0.0142(3) -0.10248(15) 0.14592(10) 0.0483(5) Uani 1 1 d .
H12 H -0.1638 -0.1414 0.1510 0.058 Uiso 1 1 calc R
C13 C 0.1352(3) -0.05713(14) 0.20654(9) 0.0397(4) Uani 1 1 d .
C14 C 0.1085(3) -0.05949(14) 0.28399(9) 0.0395(4) Uani 1 1 d .
C15 C -0.0729(3) -0.11239(15) 0.31961(10) 0.0469(4) Uani 1 1 d .
H15 H -0.2110 -0.1504 0.2928 0.056 Uiso 1 1 calc R
C16 C -0.0484(3) -0.10858(16) 0.39497(10) 0.0512(5) Uani 1 1 d .
H16 H -0.1719 -0.1433 0.4199 0.061 Uiso 1 1 calc R
C17 C 0.1538(3) -0.05488(16) 0.43453(10) 0.0495(5) Uani 1 1 d .
H17 H 0.1684 -0.0551 0.4861 0.059 Uiso 1 1 calc R
C18 C 0.3354(3) -0.00073(15) 0.39911(9) 0.0444(4) Uani 1 1 d .
H18 H 0.4738 0.0358 0.4262 0.053 Uiso 1 1 calc R
C19 C 0.3123(3) -0.00061(14) 0.32385(9) 0.0382(4) Uani 1 1 d .
C20 C 0.8311(3) 0.32965(15) 0.14333(9) 0.0464(4) Uani 1 1 d .
H20 H 0.6935 0.3447 0.1261 0.056 Uiso 1 1 calc R
C21 C 1.0954(3) 0.23384(17) 0.13015(10) 0.0533(5) Uani 1 1 d .
H21 H 1.1501 0.1810 0.1033 0.064 Uiso 1 1 calc R
C22 C 1.2192(3) 0.28511(16) 0.19367(10) 0.0505(5) Uani 1 1 d .
H22 H 1.3553 0.2677 0.2099 0.061 Uiso 1 1 calc R
C23 C 1.1417(3) 0.36207(15) 0.23308(10) 0.0450(4) Uani 1 1 d .
H23 H 1.2229 0.3973 0.2774 0.054 Uiso 1 1 calc R
C24 C 0.9440(3) 0.38775(14) 0.20752(9) 0.0408(4) Uani 1 1 d .
C25 C 0.8476(3) 0.46086(14) 0.25222(9) 0.0435(4) Uani 1 1 d .
H25 H 0.8823 0.4567 0.3032 0.052 Uiso 1 1 calc R
C26 C 0.7183(3) 0.53263(14) 0.23254(9) 0.0432(4) Uani 1 1 d .
C27 C 0.6556(3) 0.57790(14) 0.16108(10) 0.0450(4) Uani 1 1 d .
C28 C 0.7364(3) 0.57663(16) 0.09449(10) 0.0556(5) Uani 1 1 d .
H28 H 0.8493 0.5387 0.0884 0.067 Uiso 1 1 calc R
C29 C 0.6497(4) 0.63178(17) 0.03670(11) 0.0644(6) Uani 1 1 d .
H29 H 0.7035 0.6307 -0.0092 0.077 Uiso 1 1 calc R
C30 C 0.4853(4) 0.68842(17) 0.04513(12) 0.0681(6) Uani 1 1 d .
H30 H 0.4259 0.7240 0.0047 0.082 Uiso 1 1 calc R
C31 C 0.4081(3) 0.69337(17) 0.11142(12) 0.0604(6) Uani 1 1 d .
H31 H 0.2969 0.7326 0.1172 0.072 Uiso 1 1 calc R
C32 C 0.4959(3) 0.63982(15) 0.16996(10) 0.0483(5) Uani 1 1 d .
C33 C 0.4572(3) 0.63935(14) 0.24625(10) 0.0464(4) Uani 1 1 d .
C34 C 0.3160(3) 0.68675(16) 0.28236(12) 0.0575(5) Uani 1 1 d .
H34 H 0.2221 0.7276 0.2565 0.069 Uiso 1 1 calc R
C35 C 0.3141(3) 0.67369(18) 0.35619(12) 0.0643(6) Uani 1 1 d .
H35 H 0.2192 0.7065 0.3813 0.077 Uiso 1 1 calc R
C36 C 0.4495(3) 0.61298(17) 0.39425(11) 0.0591(5) Uani 1 1 d .
H36 H 0.4451 0.6040 0.4450 0.071 Uiso 1 1 calc R
C37 C 0.5916(3) 0.56523(16) 0.35855(10) 0.0511(5) Uani 1 1 d .
H37 H 0.6837 0.5236 0.3846 0.061 Uiso 1 1 calc R
C38 C 0.5966(3) 0.57937(14) 0.28448(9) 0.0424(4) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 '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_publ_flag
C1 N1 C2 116.40(16) y
C20 N2 C21 116.30(16) y
N1 C1 C5 125.18(17) y
N1 C1 H1 117.4 y
C5 C1 H1 117.4 y
N1 C2 C3 123.41(17) y
N1 C2 H2 118.3 y
C3 C2 H2 118.3 y
C2 C3 C4 118.82(17) y
C2 C3 H3 120.6 y
C4 C3 H3 120.6 y
C3 C4 C5 119.63(17) y
C3 C4 H4 120.2 y
C5 C4 H4 120.2 y
C1 C5 C4 116.52(15) y
C1 C5 C6 120.89(15) y
C4 C5 C6 122.28(15) y
C7 C6 C5 127.83(16) y
C7 C6 H6 116.1 y
C5 C6 H6 116.1 y
C6 C7 C8 124.63(16) y
C6 C7 C19 129.46(16) y
C8 C7 C19 105.78(14) y
C9 C8 C13 120.31(16) y
C9 C8 C7 131.03(16) y
C13 C8 C7 108.54(15) y
C8 C9 C10 118.61(17) y
C8 C9 H9 120.7 y
C10 C9 H9 120.7 y
C11 C10 C9 121.10(18) y
C11 C10 H10 119.4 y
C9 C10 H10 119.4 y
C10 C11 C12 120.82(17) y
C10 C11 H11 119.6 y
C12 C11 H11 119.6 y
C11 C12 C13 118.77(17) y
C11 C12 H12 120.6 y
C13 C12 H12 120.6 y
C12 C13 C8 120.39(16) y
C12 C13 C14 131.11(16) y
C8 C13 C14 108.48(14) y
C15 C14 C19 120.54(16) y
C15 C14 C13 130.50(16) y
C19 C14 C13 108.88(15) y
C16 C15 C14 118.74(17) y
C16 C15 H15 120.6 y
C14 C15 H15 120.6 y
C15 C16 C17 121.03(17) y
C15 C16 H16 119.5 y
C17 C16 H16 119.5 y
C16 C17 C18 120.43(17) y
C16 C17 H17 119.8 y
C18 C17 H17 119.8 y
C19 C18 C17 119.34(16) y
C19 C18 H18 120.3 y
C17 C18 H18 120.3 y
C18 C19 C14 119.82(16) y
C18 C19 C7 132.04(15) y
C14 C19 C7 107.99(14) y
N2 C20 C24 124.97(17) y
N2 C20 H20 117.5 y
C24 C20 H20 117.5 y
N2 C21 C22 123.59(17) y
N2 C21 H21 118.2 y
C22 C21 H21 118.2 y
C23 C22 C21 118.75(17) y
C23 C22 H22 120.6 y
C21 C22 H22 120.6 y
C22 C23 C24 119.59(17) y
C22 C23 H23 120.2 y
C24 C23 H23 120.2 y
C23 C24 C20 116.77(16) y
C23 C24 C25 120.34(16) y
C20 C24 C25 122.38(15) y
C26 C25 C24 130.50(16) y
C26 C25 H25 114.8 y
C24 C25 H25 114.8 y
C25 C26 C38 122.72(16) y
C25 C26 C27 131.93(17) y
C38 C26 C27 105.31(15) y
C28 C27 C32 119.49(17) y
C28 C27 C26 132.07(18) y
C32 C27 C26 108.22(16) y
C27 C28 C29 119.1(2) y
C27 C28 H28 120.5 y
C29 C28 H28 120.5 y
C30 C29 C28 121.0(2) y
C30 C29 H29 119.5 y
C28 C29 H29 119.5 y
C31 C30 C29 120.6(2) y
C31 C30 H30 119.7 y
C29 C30 H30 119.7 y
C30 C31 C32 118.9(2) y
C30 C31 H31 120.5 y
C32 C31 H31 120.5 y
C31 C32 C27 120.79(19) y
C31 C32 C33 130.18(18) y
C27 C32 C33 108.97(16) y
C34 C33 C38 120.46(18) y
C34 C33 C32 131.36(18) y
C38 C33 C32 108.17(15) y
C35 C34 C33 119.15(19) y
C35 C34 H34 120.4 y
C33 C34 H34 120.4 y
C34 C35 C36 120.71(19) y
C34 C35 H35 119.6 y
C36 C35 H35 119.6 y
C35 C36 C37 120.54(19) y
C35 C36 H36 119.7 y
C37 C36 H36 119.7 y
C38 C37 C36 119.07(18) y
C38 C37 H37 120.5 y
C36 C37 H37 120.5 y
C37 C38 C33 120.05(17) y
C37 C38 C26 130.65(16) y
C33 C38 C26 109.12(16) y
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
N1 C1 1.331(2) y
N1 C2 1.346(2) y
N2 C20 1.333(2) y
N2 C21 1.345(2) y
C1 C5 1.391(2) y
C1 H1 0.9500 y
C2 C3 1.376(2) y
C2 H2 0.9500 y
C3 C4 1.380(2) y
C3 H3 0.9500 y
C4 C5 1.392(2) y
C4 H4 0.9500 y
C5 C6 1.471(2) y
C6 C7 1.350(2) y
C6 H6 0.9500 y
C7 C8 1.480(2) y
C7 C19 1.488(2) y
C8 C9 1.384(2) y
C8 C13 1.410(2) y
C9 C10 1.392(2) y
C9 H9 0.9500 y
C10 C11 1.382(2) y
C10 H10 0.9500 y
C11 C12 1.386(2) y
C11 H11 0.9500 y
C12 C13 1.389(2) y
C12 H12 0.9500 y
C13 C14 1.463(2) y
C14 C15 1.390(2) y
C14 C19 1.412(2) y
C15 C16 1.387(2) y
C15 H15 0.9500 y
C16 C17 1.389(2) y
C16 H16 0.9500 y
C17 C18 1.393(2) y
C17 H17 0.9500 y
C18 C19 1.386(2) y
C18 H18 0.9500 y
C20 C24 1.393(2) y
C20 H20 0.9500 y
C21 C22 1.379(2) y
C21 H21 0.9500 y
C22 C23 1.378(2) y
C22 H22 0.9500 y
C23 C24 1.390(2) y
C23 H23 0.9500 y
C24 C25 1.475(2) y
C25 C26 1.347(2) y
C25 H25 0.9500 y
C26 C38 1.481(2) y
C26 C27 1.485(2) y
C27 C28 1.387(2) y
C27 C32 1.411(2) y
C28 C29 1.393(3) y
C28 H28 0.9500 y
C29 C30 1.392(3) y
C29 H29 0.9500 y
C30 C31 1.376(3) y
C30 H30 0.9500 y
C31 C32 1.395(2) y
C31 H31 0.9500 y
C32 C33 1.461(3) y
C33 C34 1.391(2) y
C33 C38 1.404(2) y
C34 C35 1.379(3) y
C34 H34 0.9500 y
C35 C36 1.391(3) y
C35 H35 0.9500 y
C36 C37 1.394(2) y
C36 H36 0.9500 y
C37 C38 1.387(2) y
C37 H37 0.9500 y
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_publ_flag
C2 N1 C1 C5 1.3(3) y
C1 N1 C2 C3 0.2(3) y
N1 C2 C3 C4 -0.7(3) y
C2 C3 C4 C5 -0.3(3) y
N1 C1 C5 C4 -2.2(3) y
N1 C1 C5 C6 -175.95(17) y
C3 C4 C5 C1 1.6(2) y
C3 C4 C5 C6 175.26(15) y
C1 C5 C6 C7 -46.9(3) y
C4 C5 C6 C7 139.72(18) y
C5 C6 C7 C8 163.99(15) y
C5 C6 C7 C19 -11.5(3) y
C6 C7 C8 C9 5.4(3) y
C19 C7 C8 C9 -178.24(16) y
C6 C7 C8 C13 -170.53(15) y
C19 C7 C8 C13 5.86(17) y
C13 C8 C9 C10 -0.6(2) y
C7 C8 C9 C10 -176.08(16) y
C8 C9 C10 C11 0.5(3) y
C9 C10 C11 C12 -0.1(3) y
C10 C11 C12 C13 -0.2(3) y
C11 C12 C13 C8 0.1(2) y
C11 C12 C13 C14 -178.26(17) y
C9 C8 C13 C12 0.3(2) y
C7 C8 C13 C12 176.75(14) y
C9 C8 C13 C14 179.00(14) y
C7 C8 C13 C14 -4.59(18) y
C12 C13 C14 C15 3.1(3) y
C8 C13 C14 C15 -175.41(17) y
C12 C13 C14 C19 179.91(16) y
C8 C13 C14 C19 1.44(18) y
C19 C14 C15 C16 -1.5(2) y
C13 C14 C15 C16 175.05(16) y
C14 C15 C16 C17 -1.1(3) y
C15 C16 C17 C18 1.8(3) y
C16 C17 C18 C19 0.2(3) y
C17 C18 C19 C14 -2.7(2) y
C17 C18 C19 C7 -177.71(16) y
C15 C14 C19 C18 3.4(2) y
C13 C14 C19 C18 -173.79(15) y
C15 C14 C19 C7 179.50(14) y
C13 C14 C19 C7 2.29(17) y
C6 C7 C19 C18 -13.4(3) y
C8 C7 C19 C18 170.47(17) y
C6 C7 C19 C14 171.21(16) y
C8 C7 C19 C14 -4.95(17) y
C21 N2 C20 C24 0.7(3) y
C20 N2 C21 C22 0.4(3) y
N2 C21 C22 C23 -0.1(3) y
C21 C22 C23 C24 -1.1(3) y
C22 C23 C24 C20 2.0(2) y
C22 C23 C24 C25 174.12(16) y
N2 C20 C24 C23 -1.9(3) y
N2 C20 C24 C25 -173.81(16) y
C23 C24 C25 C26 151.33(18) y
C20 C24 C25 C26 -37.0(3) y
C24 C25 C26 C38 166.23(16) y
C24 C25 C26 C27 -10.8(3) y
C25 C26 C27 C28 -12.1(3) y
C38 C26 C27 C28 170.46(18) y
C25 C26 C27 C32 173.55(17) y
C38 C26 C27 C32 -3.89(18) y
C32 C27 C28 C29 -3.2(3) y
C26 C27 C28 C29 -177.02(18) y
C27 C28 C29 C30 0.5(3) y
C28 C29 C30 C31 1.4(3) y
C29 C30 C31 C32 -0.5(3) y
C30 C31 C32 C27 -2.2(3) y
C30 C31 C32 C33 174.78(19) y
C28 C27 C32 C31 4.1(3) y
C26 C27 C32 C31 179.31(16) y
C28 C27 C32 C33 -173.45(16) y
C26 C27 C32 C33 1.73(19) y
C31 C32 C33 C34 3.4(3) y
C27 C32 C33 C34 -179.36(18) y
C31 C32 C33 C38 -176.00(18) y
C27 C32 C33 C38 1.3(2) y
C38 C33 C34 C35 -0.3(3) y
C32 C33 C34 C35 -179.55(19) y
C33 C34 C35 C36 -0.6(3) y
C34 C35 C36 C37 0.7(3) y
C35 C36 C37 C38 0.2(3) y
C36 C37 C38 C33 -1.1(3) y
C36 C37 C38 C26 -175.66(17) y
C34 C33 C38 C37 1.1(3) y
C32 C33 C38 C37 -179.44(15) y
C34 C33 C38 C26 176.78(15) y
C32 C33 C38 C26 -3.77(19) y
C25 C26 C38 C37 2.0(3) y
C27 C26 C38 C37 179.77(18) y
C25 C26 C38 C33 -173.01(15) y
C27 C26 C38 C33 4.72(19) y
