#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:33:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179901 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/97/7019720.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_7019720
loop_
_publ_author_name
'Dange, Deepak'
'Choong, Sam L.'
'Schenk, Christian'
'Stasch, Andreas'
'Jones, Cameron'
_publ_section_title
;
 Synthesis and characterisation of anionic and neutral gallium(i)
 N-heterocyclic carbene analogues.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9304
_journal_page_last               9315
_journal_paper_doi               10.1039/c2dt30299c
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C92 H104 Ga N2 Na O6'
_chemical_formula_weight         1426.48
_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                 134.67(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   36.638(7)
_cell_length_b                   11.566(2)
_cell_length_c                   25.970(5)
_cell_measurement_temperature    173(2)
_cell_volume                     7826(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Gemini Ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            14618
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    0.413
_exptl_absorpt_correction_T_max  0.902
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALE3 ABSPACK'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3040
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.789
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         7663
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0782P)²+6.5475P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1310
_refine_ls_wR_factor_ref         0.1470
_reflns_number_gt                5525
_reflns_number_total             7663
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30299c.txt
_cod_data_source_block           compound6c
_cod_original_cell_volume        7827(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7019720
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.5000 0.87317(3) 0.7500 0.03333(14) Uani 1 2 d S . .
Na1 Na 0.5000 1.14300(12) 0.7500 0.0435(4) Uani 1 2 d S . .
O1 O 0.46940(10) 1.16555(19) 0.80527(13) 0.0645(6) Uani 1 1 d . . .
N1 N 0.47995(7) 0.74457(16) 0.77548(10) 0.0274(4) Uani 1 1 d . . .
C1 C 0.48969(10) 0.6369(2) 0.76357(13) 0.0315(5) Uani 1 1 d . . .
H1 H 0.4822 0.5672 0.7740 0.038 Uiso 1 1 calc R . .
O2 O 0.57115(10) 1.25585(19) 0.84424(11) 0.0748(8) Uani 1 1 d D . .
C2 C 0.46446(9) 0.75737(19) 0.81199(12) 0.0262(5) Uani 1 1 d . . .
O3 O 0.29096(14) 1.2457(3) 0.7384(2) 0.1027(10) Uani 1 1 d D . .
C3 C 0.41329(9) 0.7863(2) 0.77351(12) 0.0290(5) Uani 1 1 d . . .
C4 C 0.40085(9) 0.8189(2) 0.81097(13) 0.0331(6) Uani 1 1 d . . .
H4 H 0.3666 0.8415 0.7843 0.040 Uiso 1 1 calc R . .
C5 C 0.43689(9) 0.8198(2) 0.88642(13) 0.0323(5) Uani 1 1 d . . .
C6 C 0.48586(9) 0.7811(2) 0.92357(12) 0.0313(5) Uani 1 1 d . . .
H6 H 0.5104 0.7759 0.9749 0.038 Uiso 1 1 calc R . .
C7 C 0.50036(9) 0.7494(2) 0.88819(12) 0.0283(5) Uani 1 1 d . . .
C8 C 0.42228(11) 0.8604(3) 0.92512(14) 0.0425(7) Uani 1 1 d . . .
H8A H 0.4092 0.7949 0.9322 0.064 Uiso 1 1 calc R . .
H8B H 0.3956 0.9199 0.8960 0.064 Uiso 1 1 calc R . .
H8C H 0.4525 0.8928 0.9723 0.064 Uiso 1 1 calc R . .
C9 C 0.37076(9) 0.7745(2) 0.69108(12) 0.0305(5) Uani 1 1 d . . .
H9 H 0.3871 0.7854 0.6728 0.037 Uiso 1 1 calc R . .
C10 C 0.34706(9) 0.6531(2) 0.66790(13) 0.0331(6) Uani 1 1 d . . .
C11 C 0.31395(10) 0.6206(2) 0.59561(14) 0.0375(6) Uani 1 1 d . . .
H11 H 0.3068 0.6736 0.5615 0.045 Uiso 1 1 calc R . .
C12 C 0.29119(11) 0.5126(3) 0.57246(16) 0.0463(7) Uani 1 1 d . . .
H12 H 0.2688 0.4919 0.5229 0.056 Uiso 1 1 calc R . .
C13 C 0.30081(11) 0.4349(3) 0.62094(17) 0.0508(8) Uani 1 1 d . . .
H13 H 0.2853 0.3605 0.6051 0.061 Uiso 1 1 calc R . .
C14 C 0.33312(12) 0.4660(3) 0.69263(17) 0.0535(8) Uani 1 1 d . . .
H14 H 0.3394 0.4131 0.7262 0.064 Uiso 1 1 calc R . .
C15 C 0.35644(11) 0.5731(2) 0.71623(15) 0.0436(7) Uani 1 1 d . . .
H15 H 0.3792 0.5926 0.7660 0.052 Uiso 1 1 calc R . .
C16 C 0.33131(10) 0.8705(2) 0.65820(12) 0.0355(6) Uani 1 1 d . . .
C17 C 0.28293(11) 0.8528(3) 0.63059(14) 0.0463(7) Uani 1 1 d . . .
H17 H 0.2719 0.7765 0.6275 0.056 Uiso 1 1 calc R . .
C18 C 0.25009(13) 0.9462(4) 0.60720(16) 0.0640(10) Uani 1 1 d . . .
H18 H 0.2170 0.9332 0.5887 0.077 Uiso 1 1 calc R . .
C19 C 0.26550(16) 1.0567(4) 0.61093(17) 0.0743(12) Uani 1 1 d . . .
H19 H 0.2433 1.1202 0.5954 0.089 Uiso 1 1 calc R . .
C20 C 0.31321(16) 1.0752(3) 0.63715(18) 0.0716(11) Uani 1 1 d . . .
H20 H 0.3238 1.1514 0.6392 0.086 Uiso 1 1 calc R . .
C21 C 0.34578(13) 0.9831(2) 0.66045(15) 0.0515(8) Uani 1 1 d . . .
H21 H 0.3786 0.9969 0.6783 0.062 Uiso 1 1 calc R . .
C22 C 0.55445(9) 0.7064(2) 0.93125(12) 0.0294(5) Uani 1 1 d . . .
H22 H 0.5527 0.6615 0.8966 0.035 Uiso 1 1 calc R . .
C23 C 0.57225(10) 0.6213(2) 0.99040(13) 0.0317(5) Uani 1 1 d . . .
C24 C 0.54061(11) 0.5284(2) 0.97157(16) 0.0458(7) Uani 1 1 d . . .
H24 H 0.5085 0.5197 0.9228 0.055 Uiso 1 1 calc R . .
C25 C 0.55523(12) 0.4487(3) 1.02288(17) 0.0551(8) Uani 1 1 d . . .
H25 H 0.5330 0.3861 1.0089 0.066 Uiso 1 1 calc R . .
C26 C 0.60118(14) 0.4587(3) 1.09343(17) 0.0573(8) Uani 1 1 d . . .
H26 H 0.6111 0.4034 1.1284 0.069 Uiso 1 1 calc R . .
C27 C 0.63264(14) 0.5493(3) 1.11284(16) 0.0642(10) Uani 1 1 d . . .
H27 H 0.6646 0.5573 1.1618 0.077 Uiso 1 1 calc R . .
C28 C 0.61841(11) 0.6302(2) 1.06168(14) 0.0467(7) Uani 1 1 d . . .
H28 H 0.6409 0.6925 1.0762 0.056 Uiso 1 1 calc R . .
C29 C 0.59350(9) 0.8024(2) 0.96116(12) 0.0303(5) Uani 1 1 d . . .
C30 C 0.59724(11) 0.8991(2) 0.99617(16) 0.0443(7) Uani 1 1 d . . .
H30 H 0.5726 0.9110 0.9982 0.053 Uiso 1 1 calc R . .
C31 C 0.63641(12) 0.9786(3) 1.02829(18) 0.0518(8) Uani 1 1 d . . .
H31 H 0.6386 1.0438 1.0526 0.062 Uiso 1 1 calc R . .
C32 C 0.67221(11) 0.9639(3) 1.02525(16) 0.0480(7) Uani 1 1 d . . .
H32 H 0.6991 1.0185 1.0474 0.058 Uiso 1 1 calc R . .
C33 C 0.66858(11) 0.8693(2) 0.98986(16) 0.0458(7) Uani 1 1 d . . .
H33 H 0.6930 0.8585 0.9874 0.055 Uiso 1 1 calc R . .
C34 C 0.62946(10) 0.7895(2) 0.95780(14) 0.0408(6) Uani 1 1 d . . .
H34 H 0.6272 0.7249 0.9331 0.049 Uiso 1 1 calc R . .
C35 C 0.47633(14) 1.0855(3) 0.85313(17) 0.0550(8) Uani 1 1 d . . .
H35A H 0.5124 1.0862 0.9009 0.066 Uiso 1 1 calc R . .
H35B H 0.4676 1.0062 0.8331 0.066 Uiso 1 1 calc R . .
C36 C 0.44096(14) 1.1240(3) 0.86007(19) 0.0608(9) Uani 1 1 d . . .
H36A H 0.4071 1.0858 0.8234 0.073 Uiso 1 1 calc R . .
H36B H 0.4556 1.1066 0.9089 0.073 Uiso 1 1 calc R . .
C37 C 0.43636(18) 1.2512(3) 0.8475(3) 0.0829(12) Uani 1 1 d . . .
H37A H 0.4011 1.2780 0.8201 0.099 Uiso 1 1 calc R . .
H37B H 0.4607 1.2936 0.8940 0.099 Uiso 1 1 calc R . .
C38 C 0.4489(2) 1.2688(3) 0.8051(3) 0.0943(15) Uani 1 1 d . . .
H38A H 0.4176 1.2905 0.7547 0.113 Uiso 1 1 calc R . .
H38B H 0.4742 1.3321 0.8266 0.113 Uiso 1 1 calc R . .
C39 C 0.6036(3) 1.1904(7) 0.9097(3) 0.044(2) Uani 0.455(11) 1 d PD A 1
H39A H 0.6154 1.1181 0.9048 0.053 Uiso 0.455(11) 1 calc PR A 1
H39B H 0.5862 1.1715 0.9253 0.053 Uiso 0.455(11) 1 calc PR A 1
C40 C 0.6486(3) 1.2765(5) 0.9626(4) 0.061(3) Uani 0.455(11) 1 d PD A 1
H40A H 0.6685 1.2577 1.0137 0.073 Uiso 0.455(11) 1 calc PR A 1
H40B H 0.6719 1.2785 0.9555 0.073 Uiso 0.455(11) 1 calc PR A 1
C41 C 0.61884(15) 1.3906(3) 0.93912(19) 0.0760(11) Uani 1 1 d D . .
H41A H 0.6022 1.3966 0.9568 0.091 Uiso 1 1 calc R A 1
H41B H 0.6411 1.4587 0.9556 0.091 Uiso 1 1 calc R A 1
C42 C 0.58011(17) 1.3765(3) 0.8583(2) 0.0993(16) Uani 1 1 d D A .
H42A H 0.5478 1.4171 0.8351 0.119 Uiso 1 1 calc R . .
H42B H 0.5935 1.4088 0.8390 0.119 Uiso 1 1 calc R . .
C43 C 0.29956(18) 1.1494(4) 0.7771(2) 0.0934(14) Uani 1 1 d D . .
H43A H 0.3345 1.1521 0.8266 0.112 Uiso 1 1 calc R . .
H43B H 0.2963 1.0782 0.7530 0.112 Uiso 1 1 calc R . .
C44 C 0.2598(2) 1.1498(5) 0.7803(3) 0.132(2) Uani 1 1 d DU . .
H44A H 0.2382 1.0794 0.7577 0.159 Uiso 1 1 calc R . .
H44B H 0.2761 1.1556 0.8308 0.159 Uiso 1 1 calc R . .
C45 C 0.2293(2) 1.2547(6) 0.7382(4) 0.135(2) Uani 1 1 d D . .
H45A H 0.1921 1.2384 0.7042 0.162 Uiso 1 1 calc R . .
H45B H 0.2382 1.3182 0.7709 0.162 Uiso 1 1 calc R . .
C46 C 0.2425(2) 1.2853(5) 0.6993(3) 0.126(2) Uani 1 1 d D . .
H46A H 0.2180 1.2496 0.6506 0.151 Uiso 1 1 calc R . .
H46B H 0.2412 1.3703 0.6936 0.151 Uiso 1 1 calc R . .
C40A C 0.6208(5) 1.2728(6) 0.9652(5) 0.098(4) Uani 0.545(11) 1 d PD A 2
H40C H 0.5911 1.2569 0.9583 0.117 Uiso 0.545(11) 1 calc PR A 2
H40D H 0.6533 1.2581 1.0160 0.117 Uiso 0.545(11) 1 calc PR A 2
C39A C 0.6177(4) 1.2080(13) 0.9093(4) 0.127(6) Uani 0.545(11) 1 d PDU A 2
H39C H 0.6472 1.2266 0.9160 0.153 Uiso 0.545(11) 1 calc PR A 2
H39D H 0.6153 1.1232 0.9115 0.153 Uiso 0.545(11) 1 calc PR A 2
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 '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'
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 Ga1 N1 81.81(11) . 2_656
N1 Ga1 Na1 139.09(5) . .
N1 Ga1 Na1 139.09(5) 2_656 .
O2 Na1 O2 112.50(13) . 2_656
O2 Na1 O1 87.64(10) . .
O2 Na1 O1 85.36(9) 2_656 .
O2 Na1 O1 85.36(9) . 2_656
O2 Na1 O1 87.64(10) 2_656 2_656
O1 Na1 O1 167.40(13) . 2_656
O2 Na1 Ga1 123.75(7) . .
O2 Na1 Ga1 123.75(7) 2_656 .
O1 Na1 Ga1 96.30(6) . .
O1 Na1 Ga1 96.30(6) 2_656 .
C38 O1 C35 108.8(2) . .
C38 O1 Na1 124.6(2) . .
C35 O1 Na1 125.88(18) . .
C1 N1 C2 122.04(19) . .
C1 N1 Ga1 112.80(15) . .
C2 N1 Ga1 124.53(15) . .
C1 C1 N1 116.29(12) 2_656 .
C42 O2 C39A 102.1(7) . .
C42 O2 C39 111.5(4) . .
C39A O2 C39 22.8(7) . .
C42 O2 Na1 134.4(2) . .
C39A O2 Na1 123.2(7) . .
C39 O2 Na1 109.4(3) . .
C3 C2 C7 118.2(2) . .
C3 C2 N1 120.63(19) . .
C7 C2 N1 121.0(2) . .
C46 O3 C43 108.9(4) . .
C4 C3 C2 119.7(2) . .
C4 C3 C9 119.5(2) . .
C2 C3 C9 120.6(2) . .
C3 C4 C5 122.3(2) . .
C6 C5 C4 117.4(2) . .
C6 C5 C8 122.0(2) . .
C4 C5 C8 120.6(2) . .
C5 C6 C7 122.2(2) . .
C6 C7 C2 119.7(2) . .
C6 C7 C22 120.3(2) . .
C2 C7 C22 120.1(2) . .
C16 C9 C3 110.6(2) . .
C16 C9 C10 113.3(2) . .
C3 C9 C10 111.69(19) . .
C11 C10 C15 117.7(2) . .
C11 C10 C9 119.5(2) . .
C15 C10 C9 122.7(2) . .
C12 C11 C10 121.2(3) . .
C13 C12 C11 120.3(3) . .
C12 C13 C14 119.4(3) . .
C13 C14 C15 120.7(3) . .
C14 C15 C10 120.8(3) . .
C17 C16 C21 118.2(3) . .
C17 C16 C9 123.3(2) . .
C21 C16 C9 118.4(2) . .
C16 C17 C18 120.6(3) . .
C19 C18 C17 120.2(3) . .
C18 C19 C20 119.7(3) . .
C19 C20 C21 120.2(4) . .
C20 C21 C16 121.1(3) . .
C7 C22 C29 114.1(2) . .
C7 C22 C23 111.37(19) . .
C29 C22 C23 111.83(19) . .
C28 C23 C24 117.5(2) . .
C28 C23 C22 123.7(2) . .
C24 C23 C22 118.8(2) . .
C25 C24 C23 120.9(3) . .
C26 C25 C24 120.9(3) . .
C27 C26 C25 119.0(3) . .
C26 C27 C28 120.7(3) . .
C23 C28 C27 121.0(3) . .
C30 C29 C34 117.9(2) . .
C30 C29 C22 123.2(2) . .
C34 C29 C22 118.8(2) . .
C31 C30 C29 120.9(3) . .
C32 C31 C30 120.5(3) . .
C33 C32 C31 119.2(3) . .
C32 C33 C34 120.3(3) . .
C33 C34 C29 121.1(2) . .
O1 C35 C36 105.9(3) . .
C37 C36 C35 104.0(3) . .
C38 C37 C36 104.6(3) . .
O1 C38 C37 109.0(3) . .
O2 C39 C40 101.0(5) . .
C41 C40 C39 100.6(6) . .
C40A C41 C42 103.3(4) . .
C40A C41 C40 41.0(4) . .
C42 C41 C40 99.8(4) . .
O2 C42 C41 106.6(3) . .
O3 C43 C44 107.5(4) . .
C45 C44 C43 102.5(4) . .
C46 C45 C44 105.7(5) . .
O3 C46 C45 107.4(4) . .
C41 C40A C39A 94.0(8) . .
O2 C39A C40A 99.2(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga1 N1 1.9682(19) .
Ga1 N1 1.9682(19) 2_656
Ga1 Na1 3.1208(16) .
Na1 O2 2.349(3) .
Na1 O2 2.349(3) 2_656
Na1 O1 2.377(2) .
Na1 O1 2.377(2) 2_656
O1 C38 1.408(4) .
O1 C35 1.422(4) .
N1 C1 1.389(3) .
N1 C2 1.414(3) .
C1 C1 1.347(5) 2_656
O2 C42 1.421(4) .
O2 C39A 1.421(7) .
O2 C39 1.427(5) .
C2 C3 1.411(3) .
C2 C7 1.412(3) .
O3 C46 1.364(6) .
O3 C43 1.380(5) .
C3 C4 1.386(3) .
C3 C9 1.530(3) .
C4 C5 1.395(3) .
C5 C6 1.384(4) .
C5 C8 1.508(3) .
C6 C7 1.396(3) .
C7 C22 1.520(3) .
C9 C16 1.522(4) .
C9 C10 1.534(3) .
C10 C11 1.391(4) .
C10 C15 1.394(4) .
C11 C12 1.383(4) .
C12 C13 1.376(4) .
C13 C14 1.378(4) .
C14 C15 1.380(4) .
C16 C17 1.382(4) .
C16 C21 1.392(4) .
C17 C18 1.399(4) .
C18 C19 1.373(6) .
C19 C20 1.375(6) .
C20 C21 1.381(5) .
C22 C29 1.524(3) .
C22 C23 1.531(3) .
C23 C28 1.377(4) .
C23 C24 1.393(4) .
C24 C25 1.381(4) .
C25 C26 1.367(5) .
C26 C27 1.365(5) .
C27 C28 1.392(4) .
C29 C30 1.386(4) .
C29 C34 1.388(3) .
C30 C31 1.385(4) .
C31 C32 1.379(4) .
C32 C33 1.374(4) .
C33 C34 1.386(4) .
C35 C36 1.496(4) .
C36 C37 1.490(5) .
C37 C38 1.477(5) .
C39 C40 1.552(6) .
C40 C41 1.539(6) .
C41 C40A 1.500(6) .
C41 C42 1.503(4) .
C43 C44 1.517(7) .
C44 C45 1.482(7) .
C45 C46 1.436(7) .
C40A C39A 1.565(7) .
