#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:32:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179333 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/30/4323048.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_4323048
loop_
_publ_author_name
'Donald J. Darensbourg'
'Jennifer D. Draper'
_publ_section_title
;
 Binucleating Coordination of N,N'-Ethylenebis(salicylideneamine)
 (H2salen) to Low-Valent Group 6 Carbonyl Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5383
_journal_page_last               5386
_journal_paper_doi               10.1021/ic980173d
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C32 H54 N4 O6 W'
_chemical_formula_weight         774.64
_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
_cell_angle_alpha                106.907(7)
_cell_angle_beta                 90.904(10)
_cell_angle_gamma                93.654(12)
_cell_formula_units_Z            3
_cell_length_a                   8.432(2)
_cell_length_b                   14.7687(15)
_cell_length_c                   18.4477(15)
_cell_measurement_temperature    293(2)
_cell_volume                     2192.1(6)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_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  0.0626
_diffrn_reflns_av_sigmaI/netI    0.0813
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8182
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    4.006
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_F_000             1188
_refine_diff_density_max         2.576
_refine_diff_density_min         -1.929
_refine_diff_density_rms         0.204
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.094
_refine_ls_goodness_of_fit_obs   1.157
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7587
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_restrained_S_obs      1.157
_refine_ls_R_factor_all          0.1095
_refine_ls_R_factor_obs          0.0688
_refine_ls_shift/esd_max         -0.992
_refine_ls_shift/esd_mean        0.032
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0765P)²+16.2309P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1889
_refine_ls_wR_factor_obs         0.1573
_reflns_number_observed          5149
_reflns_number_total             7599
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic980173d.cif
_cod_data_source_block           dd224
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0765P)^2^+16.2309P] 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^)+(0.0765P)^2^+16.2309P] 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        2192.1(5)
_cod_database_code               4323048
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
W1 W 0.14654(8) 0.70059(4) 0.45886(3) 0.0539(2) Uani 1 d . .
W2 W -0.18847(8) 0.17840(4) -0.04691(3) 0.0467(2) Uani 1 d . .
O1 O -0.1611(22) 0.8178(16) 0.4876(9) 0.137(7) Uani 1 d . .
O2 O 0.3338(19) 0.8974(10) 0.4993(8) 0.099(5) Uani 1 d . .
O3 O 0.1261(16) 0.7303(8) 0.6321(6) 0.074(3) Uani 1 d . .
O4 O 0.4691(19) 0.6158(11) 0.4925(8) 0.099(5) Uani 1 d . .
O5 O 0.1557(14) 0.6774(7) 0.3380(5) 0.061(3) Uani 1 d . .
O12 O -0.5282(18) 0.1047(10) -0.0102(7) 0.086(4) Uani 1 d . .
O13 O -0.3346(17) 0.3737(8) -0.0076(7) 0.087(4) Uani 1 d . .
O14 O -0.1359(14) 0.2164(8) 0.1268(5) 0.066(3) Uani 1 d . .
O15 O 0.1321(21) 0.3008(15) -0.0191(10) 0.127(7) Uani 1 d . .
O16 O -0.2049(11) 0.1502(6) -0.1691(5) 0.048(2) Uani 1 d . .
N1 N 0.0097(18) 0.5605(9) 0.4228(7) 0.065(4) Uani 1 d . .
N2 N -0.0951(15) 0.0337(9) -0.0798(7) 0.057(3) Uani 1 d . .
N3 N 0.5787(18) 0.7598(11) 0.7435(8) 0.076(4) Uani 1 d . .
N4 N -0.6204(14) 1.2680(11) 0.7584(7) 0.063(4) Uani 1 d . .
C1 C -0.0586(30) 0.7718(14) 0.4706(11) 0.084(6) Uani 1 d . .
C2 C -0.4042(24) 0.1240(11) -0.0289(9) 0.061(4) Uani 1 d . .
C2 C 0.2577(25) 0.8232(12) 0.4846(8) 0.071(5) Uani 1 d . .
C3 C 0.1359(17) 0.7191(9) 0.5660(8) 0.046(3) Uani 1 d . .
C4 C 0.3484(31) 0.6446(12) 0.4731(9) 0.086(7) Uani 1 d . .
C5 C 0.1039(16) 0.6073(10) 0.2798(7) 0.044(3) Uani 1 d . .
C6 C 0.1134(16) 0.6149(11) 0.2060(7) 0.048(3) Uani 1 d . .
H6A H 0.1570(16) 0.6719(11) 0.2006(7) 0.058 Uiso 1 calc R .
C7 C 0.0653(19) 0.5474(12) 0.1430(7) 0.058(4) Uani 1 d . .
H7A H 0.0777(19) 0.5573(12) 0.0958(7) 0.069 Uiso 1 calc R .
C8 C -0.0039(23) 0.4619(14) 0.1488(9) 0.077(5) Uani 1 d . .
H8A H -0.0341(23) 0.4132(14) 0.1051(9) 0.092 Uiso 1 calc R .
C9 C -0.0277(18) 0.4490(11) 0.2184(8) 0.056(4) Uani 1 d . .
H9A H -0.0747(18) 0.3918(11) 0.2218(8) 0.067 Uiso 1 calc R .
C10 C 0.0184(17) 0.5219(10) 0.2850(7) 0.048(3) Uani 1 d . .
C11 C -0.0158(21) 0.5040(11) 0.3557(8) 0.063(4) Uani 1 d . .
H11A H -0.0622(21) 0.4440(11) 0.3524(8) 0.076 Uiso 1 calc R .
C12 C -0.0618(21) 0.5223(12) 0.4859(10) 0.071(5) Uani 1 d . .
H12A H -0.0986(21) 0.5740(12) 0.5263(10) 0.086 Uiso 1 calc R .
H12B H -0.1512(21) 0.4768(12) 0.4655(10) 0.086 Uiso 1 calc R .
C13 C -0.2777(22) 0.3036(11) -0.0242(9) 0.062(4) Uani 1 d . .
C14 C -0.1612(17) 0.1989(9) 0.0602(8) 0.045(3) Uani 1 d . .
C15 C -0.0078(48) 0.2364(22) -0.0397(8) 0.171(19) Uani 1 d . .
C16 C -0.1289(15) 0.0936(9) -0.2219(6) 0.038(3) Uani 1 d . .
C17 C -0.1270(17) 0.1076(11) -0.2956(7) 0.049(4) Uani 1 d . .
H17A H -0.1809(17) 0.1567(11) -0.3043(7) 0.058 Uiso 1 calc R .
C18 C -0.0472(20) 0.0501(13) -0.3536(9) 0.067(5) Uani 1 d . .
H18A H -0.0459(20) 0.0622(13) -0.4003(9) 0.081 Uiso 1 calc R .
C19 C 0.0309(20) -0.0252(12) -0.3443(8) 0.063(5) Uani 1 d . .
H19A H 0.0812(20) -0.0646(12) -0.3848(8) 0.076 Uiso 1 calc R .
C20 C 0.0335(18) -0.0412(10) -0.2755(8) 0.053(4) Uani 1 d . .
H20A H 0.0893(18) -0.0907(10) -0.2689(8) 0.064 Uiso 1 calc R .
C21 C -0.0461(17) 0.0154(10) -0.2137(7) 0.046(3) Uani 1 d . .
C22 C -0.0415(18) -0.0094(11) -0.1445(8) 0.056(4) Uani 1 d . .
H22A H 0.0073(18) -0.0648(11) -0.1466(8) 0.068 Uiso 1 calc R .
C23 C -0.0771(19) -0.0149(11) -0.0194(9) 0.064(4) Uani 1 d . .
H23A H -0.1609(19) 0.0014(11) 0.0166(9) 0.077 Uiso 1 calc R .
H23B H -0.0855(19) -0.0832(11) -0.0421(9) 0.077 Uiso 1 calc R .
C24 C 0.6815(36) 0.7394(25) 0.8022(17) 0.166(16) Uani 1 d . .
H24A H 0.7340(36) 0.7988(25) 0.8330(17) 0.200 Uiso 1 calc R .
H24B H 0.7634(36) 0.6998(25) 0.7769(17) 0.200 Uiso 1 calc R .
C25 C 0.5934(57) 0.6885(24) 0.8568(13) 0.227(24) Uani 1 d . .
H25A H 0.6693(57) 0.6785(24) 0.8926(13) 0.341 Uiso 1 calc R .
H25B H 0.5438(57) 0.6284(24) 0.8274(13) 0.341 Uiso 1 calc R .
H25C H 0.5138(57) 0.7277(24) 0.8835(13) 0.341 Uiso 1 calc R .
C26 C 0.5086(31) 0.6679(16) 0.6914(11) 0.107(8) Uani 1 d . .
H26A H 0.4450(31) 0.6810(16) 0.6519(11) 0.128 Uiso 1 calc R .
H26B H 0.4380(31) 0.6376(16) 0.7198(11) 0.128 Uiso 1 calc R .
C27 C 0.6345(41) 0.5975(21) 0.6537(19) 0.197(18) Uani 1 d . .
H27A H 0.5813(41) 0.5403(21) 0.6213(19) 0.296 Uiso 1 calc R .
H27B H 0.6963(41) 0.5827(21) 0.6924(19) 0.296 Uiso 1 calc R .
H27C H 0.7032(41) 0.6262(21) 0.6243(19) 0.296 Uiso 1 calc R .
C28 C 0.6786(30) 0.8087(23) 0.7007(18) 0.151(14) Uani 1 d . .
H28A H 0.7578(30) 0.7668(23) 0.6753(18) 0.182 Uiso 1 calc R .
H28B H 0.7344(30) 0.8640(23) 0.7357(18) 0.182 Uiso 1 calc R .
C29 C 0.4411(26) 0.8113(16) 0.7735(11) 0.096(7) Uani 1 d . .
H29A H 0.3798(26) 0.7752(16) 0.8011(11) 0.115 Uiso 1 calc R .
H29B H 0.3745(26) 0.8152(16) 0.7314(11) 0.115 Uiso 1 calc R .
C29 C 0.5806(44) 0.8417(23) 0.6387(17) 0.161(13) Uani 1 d . .
H29C H 0.6524(44) 0.8732(23) 0.6125(17) 0.241 Uiso 1 calc R .
H29D H 0.5036(44) 0.8843(23) 0.6634(17) 0.241 Uiso 1 calc R .
H29E H 0.5272(44) 0.7871(23) 0.6030(17) 0.241 Uiso 1 calc R .
C30 C 0.4805(35) 0.9126(15) 0.8266(12) 0.125(10) Uani 1 d . .
H30A H 0.3836(35) 0.9413(15) 0.8438(12) 0.188 Uiso 1 calc R .
H30B H 0.5386(35) 0.9498(15) 0.7997(12) 0.188 Uiso 1 calc R .
H30C H 0.5439(35) 0.9097(15) 0.8695(12) 0.188 Uiso 1 calc R .
C31 C -0.7337(19) 1.2127(14) 0.7936(10) 0.069(5) Uani 1 d . .
H31A H -0.7915(19) 1.1639(14) 0.7534(10) 0.083 Uiso 1 calc R .
H31B H -0.8104(19) 1.2549(14) 0.8210(10) 0.083 Uiso 1 calc R .
C32 C -0.6587(25) 1.1661(17) 0.8473(12) 0.097(7) Uani 1 d . .
H32A H -0.7401(25) 1.1324(17) 0.8671(12) 0.146 Uiso 1 calc R .
H32B H -0.6036(25) 1.2138(17) 0.8883(12) 0.146 Uiso 1 calc R .
H32C H -0.5849(25) 1.1225(17) 0.8205(12) 0.146 Uiso 1 calc R .
C33 C -0.5041(20) 1.2033(14) 0.7106(11) 0.076(5) Uani 1 d . .
H33A H -0.4378(20) 1.1803(14) 0.7440(11) 0.091 Uiso 1 calc R .
H33B H -0.4352(20) 1.2405(14) 0.6868(11) 0.091 Uiso 1 calc R .
C34 C -0.5795(26) 1.1181(18) 0.6491(14) 0.123(10) Uani 1 d . .
H34A H -0.4974(26) 1.0815(18) 0.6220(14) 0.184 Uiso 1 calc R .
H34B H -0.6428(26) 1.1396(18) 0.6146(14) 0.184 Uiso 1 calc R .
H34C H -0.6456(26) 1.0794(18) 0.6719(14) 0.184 Uiso 1 calc R .
C35 C -0.7182(21) 1.3088(17) 0.7075(12) 0.089(6) Uani 1 d . .
H35A H -0.7775(21) 1.2568(17) 0.6706(12) 0.107 Uiso 1 calc R .
H35B H -0.7949(21) 1.3479(17) 0.7383(12) 0.107 Uiso 1 calc R .
C36 C -0.6276(31) 1.3672(23) 0.6657(16) 0.146(12) Uani 1 d . .
H36A H -0.7003(31) 1.3895(23) 0.6353(16) 0.219 Uiso 1 calc R .
H36B H -0.5534(31) 1.3291(23) 0.6336(16) 0.219 Uiso 1 calc R .
H36C H -0.5709(31) 1.4205(23) 0.7014(16) 0.219 Uiso 1 calc R .
C37 C -0.5196(20) 1.3432(13) 0.8172(11) 0.077(5) Uani 1 d . .
H37A H -0.4438(20) 1.3744(13) 0.7916(11) 0.093 Uiso 1 calc R .
H37B H -0.4598(20) 1.3129(13) 0.8479(11) 0.093 Uiso 1 calc R .
C38 C -0.6170(25) 1.4174(15) 0.8688(13) 0.102(7) Uani 1 d . .
H38A H -0.5473(25) 1.4632(15) 0.9049(13) 0.152 Uiso 1 calc R .
H38B H -0.6907(25) 1.3872(15) 0.8951(13) 0.152 Uiso 1 calc R .
H38C H -0.6745(25) 1.4488(15) 0.8390(13) 0.152 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 0.0033 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
C2 W1 C3 86.3(6) . . ?
C2 W1 C4 89.5(8) . . ?
C3 W1 C4 82.4(6) . . ?
C2 W1 C1 86.0(8) . . ?
C3 W1 C1 85.1(7) . . ?
C4 W1 C1 166.9(7) . . ?
C2 W1 O5 94.7(5) . . ?
C3 W1 O5 178.9(5) . . ?
C4 W1 O5 97.8(5) . . ?
C1 W1 O5 94.8(6) . . ?
C2 W1 N1 176.3(6) . . ?
C3 W1 N1 96.6(5) . . ?
C4 W1 N1 93.2(6) . . ?
C1 W1 N1 91.9(7) . . ?
O5 W1 N1 82.3(4) . . ?
C15 W2 C14 85.0(7) . . ?
C15 W2 C13 87.1(8) . . ?
C14 W2 C13 88.1(6) . . ?
C15 W2 C2 166.4(6) . . ?
C14 W2 C2 82.1(6) . . ?
C13 W2 C2 88.1(7) . . ?
C15 W2 O16 93.0(6) . . ?
C14 W2 O16 176.2(4) . . ?
C13 W2 O16 95.0(5) . . ?
C2 W2 O16 100.1(5) . . ?
C15 W2 N2 94.6(7) . . ?
C14 W2 N2 95.2(5) . . ?
C13 W2 N2 176.4(5) . . ?
C2 W2 N2 91.0(6) . . ?
O16 W2 N2 81.7(4) . . ?
C5 O5 W1 133.0(9) . . ?
C16 O16 W2 130.4(8) . . ?
C11 N1 C12 114.1(13) . . ?
C11 N1 W1 128.7(11) . . ?
C12 N1 W1 117.2(9) . . ?
C22 N2 C23 115.4(12) . . ?
C22 N2 W2 126.2(11) . . ?
C23 N2 W2 118.2(9) . . ?
C29 N3 C28 112.7(19) . . ?
C29 N3 C24 113.9(18) . . ?
C28 N3 C24 107.9(23) . . ?
C29 N3 C26 104.1(16) . . ?
C28 N3 C26 109.4(17) . . ?
C24 N3 C26 108.7(20) . . ?
C31 N4 C37 112.1(13) . . ?
C31 N4 C35 107.0(12) . . ?
C37 N4 C35 112.8(15) . . ?
C31 N4 C33 110.3(14) . . ?
C37 N4 C33 105.7(12) . . ?
C35 N4 C33 109.0(14) . . ?
O1 C1 W1 169.5(18) . . ?
O12 C2 W2 170.2(14) . . ?
O2 C2 W1 176.7(17) . . ?
O3 C3 W1 178.7(13) . . ?
O4 C4 W1 170.9(13) . . ?
O5 C5 C6 120.9(13) . . ?
O5 C5 C10 124.4(12) . . ?
C6 C5 C10 114.4(12) . . ?
C7 C6 C5 125.5(15) . . ?
C6 C7 C8 119.0(14) . . ?
C9 C8 C7 120.3(15) . . ?
C8 C9 C10 120.5(16) . . ?
C9 C10 C11 117.0(14) . . ?
C9 C10 C5 119.7(13) . . ?
C11 C10 C5 123.2(12) . . ?
N1 C11 C10 127.9(15) . . ?
C12 C12 N1 107.2(19) 2_566 . ?
O13 C13 W2 175.4(15) . . ?
O14 C14 W2 175.4(12) . . ?
O15 C15 W2 167.1(14) . . ?
O16 C16 C21 125.4(11) . . ?
O16 C16 C17 118.9(12) . . ?
C21 C16 C17 115.8(11) . . ?
C18 C17 C16 121.3(14) . . ?
C17 C18 C19 121.8(14) . . ?
C20 C19 C18 119.2(13) . . ?
C19 C20 C21 121.7(14) . . ?
C20 C21 C22 117.5(13) . . ?
C20 C21 C16 120.2(12) . . ?
C22 C21 C16 122.3(11) . . ?
N2 C22 C21 129.3(14) . . ?
C23 C23 N2 109.1(18) 2 . ?
N3 C24 C25 115.7(26) . . ?
N3 C26 C27 114.0(21) . . ?
N3 C28 C29 113.3(22) . . ?
N3 C29 C30 114.9(19) . . ?
N4 C31 C32 115.3(14) . . ?
N4 C33 C34 115.4(15) . . ?
C36 C35 N4 116.2(16) . . ?
N4 C37 C38 113.0(14) . . ?
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
W1 C2 1.91(2) . ?
W1 C3 1.920(14) . ?
W1 C4 1.98(3) . ?
W1 C1 2.06(2) . ?
W1 O5 2.158(9) . ?
W1 N1 2.220(13) . ?
W2 C15 1.68(5) . ?
W2 C14 1.917(14) . ?
W2 C13 1.97(2) . ?
W2 C2 2.01(2) . ?
W2 O16 2.170(9) . ?
W2 N2 2.243(11) . ?
O1 C1 1.13(2) . ?
O2 C2 1.19(2) . ?
O3 C3 1.19(2) . ?
O4 C4 1.22(3) . ?
O5 C5 1.30(2) . ?
O12 C2 1.15(2) . ?
O13 C13 1.13(2) . ?
O14 C14 1.19(2) . ?
O15 C15 1.44(4) . ?
O16 C16 1.293(14) . ?
N1 C11 1.28(2) . ?
N1 C12 1.55(2) . ?
N2 C22 1.28(2) . ?
N2 C23 1.50(2) . ?
N3 C29 1.46(2) . ?
N3 C28 1.46(3) . ?
N3 C24 1.49(3) . ?
N3 C26 1.50(2) . ?
N4 C31 1.49(2) . ?
N4 C37 1.51(2) . ?
N4 C35 1.51(2) . ?
N4 C33 1.52(2) . ?
C5 C6 1.40(2) . ?
C5 C10 1.44(2) . ?
C6 C7 1.33(2) . ?
C7 C8 1.39(2) . ?
C8 C9 1.37(2) . ?
C9 C10 1.41(2) . ?
C10 C11 1.43(2) . ?
C12 C12 1.44(3) 2_566 ?
C16 C21 1.43(2) . ?
C16 C17 1.43(2) . ?
C17 C18 1.37(2) . ?
C18 C19 1.38(2) . ?
C19 C20 1.36(2) . ?
C20 C21 1.41(2) . ?
C21 C22 1.43(2) . ?
C23 C23 1.45(3) 2 ?
C24 C25 1.59(5) . ?
C26 C27 1.56(3) . ?
C28 C29 1.60(4) . ?
C29 C30 1.54(3) . ?
C31 C32 1.51(2) . ?
C33 C34 1.52(3) . ?
C35 C36 1.50(3) . ?
C37 C38 1.52(2) . ?
