#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:15:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179806 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/02/7010259.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_7010259
loop_
_publ_author_name
'Bonar-Law, Richard P.'
'McGrath, Thomas D.'
'Singh, Nirmal'
'Bickley, Jamie F.'
'Femoni, Cristina'
'Steiner, Alexander'
_publ_section_title
;
 Dirhodium(II) carboxylates as building blocks. Synthesis and
 structures of cis-chelate complexes
;
_journal_issue                   23
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4343
_journal_paper_doi               10.1039/b007428o
_journal_year                    2000
_chemical_formula_sum            'C36 H48 N2 O10 Rh2'
_chemical_formula_weight         874.58
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           146
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            9
_cell_length_a                   31.600(4)
_cell_length_b                   31.600(4)
_cell_length_c                   12.700(3)
_cell_measurement_temperature    293(2)
_cell_volume                     10983(3)
_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      293(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.333
_diffrn_measured_fraction_theta_max 0.333
_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  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            19768
_diffrn_reflns_theta_full        22.48
_diffrn_reflns_theta_max         22.48
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    0.720
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.190
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4032
_exptl_crystal_size_max          .3
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .2
_refine_diff_density_max         1.186
_refine_diff_density_min         -0.477
_refine_diff_density_rms         0.122
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.42(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         6376
_refine_ls_number_restraints     574
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          4.489
_refine_ls_shift/su_mean         0.408
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0703P)²+98.6359P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1239
_refine_ls_wR_factor_ref         0.1422
_reflns_number_gt                5500
_reflns_number_total             6376
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b007428o.txt
_cod_data_source_block           r31
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0703P)^2^+98.6359P] 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^)+(0.0703P)^2^+98.6359P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      R3
_cod_database_code               7010259
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
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
Rh1 Rh 0.46190(7) 0.00012(8) 0.8030(3) 0.0430(6) Uani 1 d D . .
Rh2 Rh 0.53809(7) 0.00007(8) 0.8036(3) 0.0408(6) Uani 1 d D . .
O1 O 0.4773(4) 0.0256(6) 0.6513(6) 0.050(3) Uani 1 d DU . .
O2 O 0.5482(4) 0.0249(6) 0.6510(6) 0.055(3) Uani 1 d DU . .
C1 C 0.5187(3) 0.0371(4) 0.6142(5) 0.062(3) Uani 1 d DU . .
C2 C 0.5343(4) 0.0670(3) 0.5104(6) 0.073(3) Uani 1 d DU . .
C3 C 0.5150(7) 0.0321(4) 0.4142(8) 0.082(4) Uani 1 d DU . .
H3A H 0.5272 0.0097 0.4172 0.124 Uiso 1 calc R . .
H3B H 0.5259 0.0508 0.3504 0.124 Uiso 1 calc R . .
H3C H 0.4799 0.0141 0.4155 0.124 Uiso 1 calc R . .
C4 C 0.5110(6) 0.1000(6) 0.4980(11) 0.059(4) Uani 1 d DU . .
H4A H 0.5234 0.1246 0.5518 0.088 Uiso 1 calc R . .
H4B H 0.4762 0.0804 0.5044 0.088 Uiso 1 calc R . .
H4C H 0.5192 0.1153 0.4300 0.088 Uiso 1 calc R . .
O5 O 0.5870(5) 0.1012(4) 0.4841(9) 0.084(3) Uani 1 d DU . .
C6 C 0.6166(4) 0.1310(3) 0.5664(6) 0.082(3) Uani 1 d DU . .
O3 O 0.4998(2) 0.0707(2) 0.8566(12) 0.051(3) Uani 1 d DU . .
O4 O 0.5712(2) 0.0714(2) 0.8523(13) 0.055(3) Uani 1 d DU . .
C14 C 0.5459(2) 0.0923(2) 0.8579(8) 0.052(2) Uani 1 d DU . .
C11 C 0.5738(4) 0.1482(2) 0.8763(6) 0.059(2) Uani 1 d DU . .
C12 C 0.5788(7) 0.1613(4) 0.9956(7) 0.070(3) Uani 1 d DU . .
H12A H 0.5960 0.1475 1.0305 0.105 Uiso 1 calc R . .
H12B H 0.5469 0.1484 1.0261 0.105 Uiso 1 calc R . .
H12C H 0.5966 0.1962 1.0037 0.105 Uiso 1 calc R . .
C13 C 0.5470(5) 0.1741(4) 0.8309(14) 0.049(3) Uani 1 d DU . .
H13A H 0.5449 0.1706 0.7557 0.073 Uiso 1 calc R . .
H13B H 0.5649 0.2082 0.8488 0.073 Uiso 1 calc R . .
H13C H 0.5147 0.1595 0.8602 0.073 Uiso 1 calc R . .
O6 O 0.6251(5) 0.1803(4) 0.8372(9) 0.077(3) Uani 1 d DU . .
C10 C 0.6348(4) 0.1690(3) 0.7368(7) 0.083(3) Uani 1 d DU . .
C5 C 0.6009(4) 0.1385(4) 0.6630(6) 0.083(3) Uani 1 d DU . .
H5 H 0.5677 0.1230 0.6783 0.099 Uiso 1 calc R . .
C7 C 0.6662(4) 0.1541(4) 0.5441(7) 0.095(3) Uani 1 d DU . .
H7 H 0.6768 0.1492 0.4794 0.114 Uiso 1 calc R . .
C8 C 0.7001(4) 0.1847(5) 0.6179(8) 0.094(3) Uani 1 d DU . .
H8 H 0.7333 0.2002 0.6027 0.113 Uiso 1 calc R . .
C9 C 0.6843(4) 0.1921(4) 0.7146(8) 0.087(3) Uani 1 d DU . .
H9 H 0.7070 0.2125 0.7643 0.105 Uiso 1 calc R . .
O7 O 0.4287(2) -0.0711(3) 0.7545(14) 0.051(3) Uani 1 d DU . .
O8 O 0.5002(3) -0.0713(2) 0.7577(13) 0.051(3) Uani 1 d DU . .
C15 C 0.4549(3) -0.0904(2) 0.7397(4) 0.055(3) Uani 1 d DU . .
C16 C 0.4294(5) -0.1429(3) 0.6950(12) 0.089(4) Uani 1 d DU . .
H16A H 0.4522 -0.1546 0.6929 0.133 Uiso 1 calc R . .
H16B H 0.4179 -0.1429 0.6250 0.133 Uiso 1 calc R . .
H16C H 0.4022 -0.1639 0.7391 0.133 Uiso 1 calc R . .
O9 O 0.4521(4) -0.0242(7) 0.9552(7) 0.055(3) Uani 1 d DU . .
O10 O 0.5229(4) -0.0255(6) 0.9547(6) 0.054(3) Uani 1 d DU . .
C17 C 0.4839(3) -0.0318(3) 0.9972(5) 0.056(3) Uani 1 d DU . .
C18 C 0.4740(5) -0.0509(6) 1.1121(6) 0.082(4) Uani 1 d DU . .
H18A H 0.4986 -0.0584 1.1336 0.123 Uiso 1 calc R . .
H18B H 0.4424 -0.0798 1.1162 0.123 Uiso 1 calc R . .
H18C H 0.4748 -0.0262 1.1576 0.123 Uiso 1 calc R . .
N1 N 0.3914(4) -0.0002(7) 0.812(2) 0.054(3) Uani 1 d DU . .
C21 C 0.3856(6) 0.0366(8) 0.773(2) 0.058(4) Uani 1 d DU . .
H21 H 0.4141 0.0652 0.7551 0.069 Uiso 1 calc R . .
C22 C 0.3431(6) 0.0364(7) 0.7568(18) 0.056(3) Uani 1 d DU . .
H22 H 0.3416 0.0599 0.7155 0.067 Uiso 1 calc R . .
C23 C 0.3015(5) -0.0013(7) 0.806(2) 0.050(3) Uani 1 d DU . .
C24 C 0.3065(6) -0.0390(7) 0.837(2) 0.054(3) Uani 1 d DU . .
H24 H 0.2783 -0.0684 0.8520 0.065 Uiso 1 calc R . .
C25 C 0.3502(6) -0.0369(7) 0.8468(18) 0.051(3) Uani 1 d DU . .
H25 H 0.3511 -0.0627 0.8799 0.061 Uiso 1 calc R . .
C26 C 0.2507(5) -0.0068(5) 0.8012(12) 0.057(3) Uani 1 d DU . .
C27 C 0.2492(6) 0.0241(7) 0.7135(13) 0.068(4) Uiso 1 d DU . .
H27A H 0.2174 0.0209 0.7105 0.102 Uiso 1 calc R . .
H27B H 0.2560 0.0135 0.6479 0.102 Uiso 1 calc R . .
H27C H 0.2734 0.0576 0.7257 0.102 Uiso 1 calc R . .
C28 C 0.2419(7) 0.0132(8) 0.9063(13) 0.080(4) Uiso 1 d DU . .
H28A H 0.2106 0.0111 0.9041 0.120 Uiso 1 calc R . .
H28B H 0.2670 0.0467 0.9153 0.120 Uiso 1 calc R . .
H28C H 0.2429 -0.0058 0.9642 0.120 Uiso 1 calc R . .
C29 C 0.2067(5) -0.0595(5) 0.7923(16) 0.068(4) Uiso 1 d DU . .
H29A H 0.1769 -0.0585 0.7890 0.102 Uiso 1 calc R . .
H29B H 0.2061 -0.0781 0.8528 0.102 Uiso 1 calc R . .
H29C H 0.2100 -0.0746 0.7297 0.102 Uiso 1 calc R . .
N2 N 0.6087(4) 0.0005(7) 0.8029(18) 0.046(3) Uani 1 d DU . .
C31 C 0.6501(6) 0.0399(8) 0.775(2) 0.050(3) Uani 1 d DU . .
H31 H 0.6492 0.0680 0.7572 0.060 Uiso 1 calc R . .
C32 C 0.6953(6) 0.0415(7) 0.7719(19) 0.056(3) Uani 1 d DU . .
H32 H 0.7234 0.0697 0.7509 0.067 Uiso 1 calc R . .
C33 C 0.6969(5) -0.0005(7) 0.801(2) 0.049(3) Uani 1 d DU . .
C34 C 0.6536(6) -0.0397(7) 0.836(2) 0.052(3) Uani 1 d DU . .
H34 H 0.6534 -0.0678 0.8589 0.062 Uiso 1 calc R . .
C35 C 0.6105(6) -0.0381(8) 0.840(2) 0.052(3) Uani 1 d DU . .
H35 H 0.5825 -0.0644 0.8679 0.062 Uiso 1 calc R . .
C36 C 0.7460(5) 0.0009(6) 0.8021(13) 0.051(3) Uani 1 d DU . .
C37 C 0.7873(6) 0.0451(7) 0.7540(16) 0.079(4) Uiso 1 d DU . .
H37A H 0.8168 0.0436 0.7613 0.118 Uiso 1 calc R . .
H37B H 0.7911 0.0737 0.7889 0.118 Uiso 1 calc R . .
H37C H 0.7807 0.0464 0.6807 0.118 Uiso 1 calc R . .
C38 C 0.7408(8) -0.0440(7) 0.7435(17) 0.094(4) Uiso 1 d DU . .
H38A H 0.7717 -0.0429 0.7428 0.141 Uiso 1 calc R . .
H38B H 0.7305 -0.0440 0.6724 0.141 Uiso 1 calc R . .
H38C H 0.7170 -0.0732 0.7786 0.141 Uiso 1 calc R . .
C39 C 0.7591(6) -0.0022(7) 0.9168(11) 0.062(4) Uiso 1 d DU . .
H39A H 0.7910 0.0010 0.9198 0.094 Uiso 1 calc R . .
H39B H 0.7355 -0.0332 0.9458 0.094 Uiso 1 calc R . .
H39C H 0.7592 0.0236 0.9567 0.094 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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'
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
O9 Rh1 O7 88.5(8) . . ?
O9 Rh1 O3 89.5(7) . . ?
O7 Rh1 O3 175.1(4) . . ?
O9 Rh1 O1 175.5(3) . . ?
O7 Rh1 O1 92.2(7) . . ?
O3 Rh1 O1 89.4(7) . . ?
O9 Rh1 N1 89.1(6) . . ?
O7 Rh1 N1 92.8(6) . . ?
O3 Rh1 N1 91.5(6) . . ?
O1 Rh1 N1 95.2(6) . . ?
O9 Rh1 Rh2 87.80(17) . . ?
O7 Rh1 Rh2 87.86(18) . . ?
O3 Rh1 Rh2 87.65(18) . . ?
O1 Rh1 Rh2 87.83(17) . . ?
N1 Rh1 Rh2 176.8(6) . . ?
O8 Rh2 O10 86.5(7) . . ?
O8 Rh2 O4 175.7(3) . . ?
O10 Rh2 O4 92.4(7) . . ?
O8 Rh2 O2 92.6(7) . . ?
O10 Rh2 O2 175.8(3) . . ?
O4 Rh2 O2 88.2(8) . . ?
O8 Rh2 N2 92.2(6) . . ?
O10 Rh2 N2 92.5(6) . . ?
O4 Rh2 N2 92.0(6) . . ?
O2 Rh2 N2 91.7(5) . . ?
O8 Rh2 Rh1 88.01(18) . . ?
O10 Rh2 Rh1 88.02(18) . . ?
O4 Rh2 Rh1 87.76(18) . . ?
O2 Rh2 Rh1 87.81(18) . . ?
N2 Rh2 Rh1 179.5(5) . . ?
C1 O1 Rh1 118.2(3) . . ?
C1 O2 Rh2 117.9(4) . . ?
O1 C1 O2 126.2(5) . . ?
O1 C1 C2 117.4(5) . . ?
O2 C1 C2 116.3(5) . . ?
O5 C2 C1 121.8(7) . . ?
O5 C2 C3 103.7(6) . . ?
C1 C2 C3 110.1(6) . . ?
O5 C2 C4 102.7(6) . . ?
C1 C2 C4 112.5(6) . . ?
C3 C2 C4 104.3(10) . . ?
C6 O5 C2 116.5(9) . . ?
C7 C6 C5 119.8(3) . . ?
C7 C6 O5 113.7(8) . . ?
C5 C6 O5 126.5(8) . . ?
C14 O3 Rh1 118.7(4) . . ?
C14 O4 Rh2 118.8(4) . . ?
O3 C14 O4 125.1(5) . . ?
O3 C14 C11 117.5(5) . . ?
O4 C14 C11 117.2(4) . . ?
O6 C11 C14 121.8(7) . . ?
O6 C11 C13 102.1(6) . . ?
C14 C11 C13 113.4(6) . . ?
O6 C11 C12 102.1(7) . . ?
C14 C11 C12 112.0(6) . . ?
C13 C11 C12 103.3(10) . . ?
C10 O6 C11 115.4(9) . . ?
C9 C10 C5 120.3(3) . . ?
C9 C10 O6 112.7(8) . . ?
C5 C10 O6 127.0(8) . . ?
C10 C5 C6 119.9(3) . . ?
C8 C7 C6 120.3(3) . . ?
C7 C8 C9 120.0(3) . . ?
C10 C9 C8 119.8(3) . . ?
C15 O7 Rh1 118.4(4) . . ?
C15 O8 Rh2 118.5(4) . . ?
O7 C15 O8 127.0(5) . . ?
O7 C15 C16 117.1(5) . . ?
O8 C15 C16 115.9(5) . . ?
C17 O9 Rh1 118.9(3) . . ?
C17 O10 Rh2 118.7(3) . . ?
O9 C17 O10 126.5(5) . . ?
O9 C17 C18 116.5(5) . . ?
O10 C17 C18 117.0(5) . . ?
C25 N1 C21 112.4(9) . . ?
C25 N1 Rh1 124.7(11) . . ?
C21 N1 Rh1 122.7(11) . . ?
N1 C21 C22 127.5(14) . . ?
C21 C22 C23 116.2(14) . . ?
C24 C23 C22 114.3(10) . . ?
C24 C23 C26 119.7(12) . . ?
C22 C23 C26 124.2(12) . . ?
C23 C24 C25 123.7(14) . . ?
N1 C25 C24 123.2(14) . . ?
C27 C26 C23 109.2(11) . . ?
C27 C26 C29 110.1(12) . . ?
C23 C26 C29 116.7(11) . . ?
C27 C26 C28 107.7(12) . . ?
C23 C26 C28 108.1(13) . . ?
C29 C26 C28 104.6(11) . . ?
C31 N2 C35 118.5(9) . . ?
C31 N2 Rh2 121.6(11) . . ?
C35 N2 Rh2 119.6(11) . . ?
N2 C31 C32 123.5(13) . . ?
C31 C32 C33 118.5(13) . . ?
C34 C33 C32 116.3(10) . . ?
C34 C33 C36 123.9(12) . . ?
C32 C33 C36 119.5(12) . . ?
C33 C34 C35 121.8(14) . . ?
N2 C35 C34 120.9(13) . . ?
C37 C36 C33 115.2(12) . . ?
C37 C36 C39 108.3(12) . . ?
C33 C36 C39 108.1(12) . . ?
C37 C36 C38 107.9(12) . . ?
C33 C36 C38 109.2(13) . . ?
C39 C36 C38 108.0(12) . . ?
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
Rh1 O9 2.045(4) . ?
Rh1 O7 2.046(4) . ?
Rh1 O3 2.049(4) . ?
Rh1 O1 2.051(4) . ?
Rh1 N1 2.225(5) . ?
Rh1 Rh2 2.4083(8) . ?
Rh2 O8 2.040(4) . ?
Rh2 O10 2.044(4) . ?
Rh2 O4 2.049(4) . ?
Rh2 O2 2.055(4) . ?
Rh2 N2 2.223(5) . ?
O1 C1 1.262(4) . ?
O2 C1 1.263(4) . ?
C1 C2 1.551(7) . ?
C2 O5 1.501(14) . ?
C2 C3 1.552(9) . ?
C2 C4 1.554(9) . ?
O5 C6 1.405(13) . ?
C6 C7 1.387(8) . ?
C6 C5 1.388(8) . ?
O3 C14 1.263(4) . ?
O4 C14 1.267(4) . ?
C14 C11 1.549(7) . ?
C11 O6 1.503(14) . ?
C11 C13 1.552(9) . ?
C11 C12 1.558(9) . ?
O6 C10 1.399(13) . ?
C10 C9 1.386(8) . ?
C10 C5 1.387(8) . ?
C7 C8 1.386(8) . ?
C8 C9 1.387(8) . ?
O7 C15 1.263(4) . ?
O8 C15 1.264(4) . ?
C15 C16 1.546(7) . ?
O9 C17 1.265(4) . ?
O10 C17 1.266(4) . ?
C17 C18 1.549(7) . ?
N1 C25 1.313(12) . ?
N1 C21 1.359(12) . ?
C21 C22 1.357(13) . ?
C22 C23 1.403(12) . ?
C23 C24 1.335(12) . ?
C23 C26 1.529(12) . ?
C24 C25 1.357(12) . ?
C26 C27 1.496(13) . ?
C26 C29 1.551(13) . ?
C26 C28 1.560(13) . ?
N2 C31 1.325(12) . ?
N2 C35 1.336(12) . ?
C31 C32 1.403(13) . ?
C32 C33 1.405(13) . ?
C33 C34 1.384(12) . ?
C33 C36 1.530(11) . ?
C34 C35 1.388(13) . ?
C36 C37 1.483(13) . ?
C36 C39 1.531(13) . ?
C36 C38 1.537(14) . ?
