#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180391 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/60/7206002.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_7206002
loop_
_publ_author_name
'Wang, Xiao-Feng'
'Zhang, Yue-Biao'
'Zhang, Wei-Xiong'
'Xue, Wei'
'Zhou, Hao-Long'
'Chen, Xiao-Ming'
_publ_section_title
;
 Buffering additive effect in the formation of metal--carboxylate
 frameworks with slightly different linear M3(RCOO)6 clusters
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              4196
_journal_paper_doi               10.1039/c1ce05190c
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C48 H46 Fe3 N4 O16'
_chemical_formula_weight         1102.44
_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                 99.700(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3163(17)
_cell_length_b                   18.059(2)
_cell_length_c                   21.255(3)
_cell_measurement_temperature    293(2)
_cell_volume                     5038.3(11)
_computing_cell_refinement       'SAINT-PLUS, Ver. 6.0, 1997'
_computing_data_collection       'SMART, 1998.'
_computing_data_reduction        'SAINT-PLUS, Ver. 6.0, 1997'
_computing_molecular_graphics    'XP, Ver. 6.10, Bruker AXS Inc., 2000.'
_computing_publication_material  'SHELXTL-Bruker AXS Inc., 1998.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Apex CCD'
_diffrn_measurement_method       'ω scan'
_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  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0712
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            11986
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.925
_exptl_absorpt_correction_T_max  0.9051
_exptl_absorpt_correction_T_min  0.8295
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.817
_refine_diff_density_min         -1.062
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         4415
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1077
_refine_ls_R_factor_gt           0.0673
_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)+(0.1169P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1710
_refine_ls_wR_factor_ref         0.1974
_reflns_number_gt                2783
_reflns_number_total             4415
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05190c.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7206002
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
Fe1 Fe 0.5000 0.25296(5) 0.7500 0.0300(3) Uani 1 2 d S . .
Fe2 Fe 0.25841(7) 0.24157(4) 0.80759(4) 0.0381(3) Uani 1 1 d . . .
O2 O 0.1902(3) 0.1968(2) 0.71346(16) 0.0386(9) Uani 1 1 d . A .
O1 O 0.3340(3) 0.25686(17) 0.72033(15) 0.0303(8) Uani 1 1 d . A .
O3 O 0.3513(4) 0.3126(2) 0.87076(18) 0.0542(12) Uani 1 1 d . A .
O4 O 0.4768(3) 0.3400(2) 0.81670(17) 0.0427(10) Uani 1 1 d . A .
O5 O 0.3406(3) 0.1491(2) 0.84125(18) 0.0463(10) Uani 1 1 d . A .
O6 O 0.4988(3) 0.1691(2) 0.82274(17) 0.0421(10) Uani 1 1 d . A .
O7 O 0.1367(4) 0.2128(3) 0.8541(2) 0.0757(15) Uani 1 1 d . A .
C1 C 0.2579(4) 0.2246(3) 0.6876(2) 0.0305(12) Uani 1 1 d . . .
C2 C 0.2467(4) 0.2239(3) 0.6160(2) 0.0309(12) Uani 1 1 d . A .
C3 C 0.1744(4) 0.1760(3) 0.5809(2) 0.0379(13) Uani 1 1 d . . .
H3A H 0.1369 0.1439 0.6021 0.045 Uiso 1 1 calc R A .
C4 C 0.1595(4) 0.1768(3) 0.5160(2) 0.0392(14) Uani 1 1 d U A .
H4A H 0.1125 0.1444 0.4934 0.047 Uiso 1 1 calc R . .
C5 C 0.2137(4) 0.2259(3) 0.4823(2) 0.0311(12) Uani 1 1 d . . .
C6 C 0.3009(4) 0.2716(3) 0.5851(2) 0.0318(13) Uani 1 1 d . . .
H6A H 0.3482 0.3031 0.6087 0.038 Uiso 1 1 calc R A .
C7 C 0.4266(5) 0.3502(3) 0.8604(3) 0.0375(14) Uani 1 1 d . . .
C8 C 0.4601(4) 0.4130(3) 0.9064(2) 0.0384(14) Uani 1 1 d . A .
C9 C 0.5324(5) 0.4639(3) 0.8916(3) 0.0474(16) Uani 1 1 d . . .
H9A H 0.5558 0.4599 0.8529 0.057 Uiso 1 1 calc R A .
C10 C 0.5690(5) 0.5195(3) 0.9331(3) 0.0455(15) Uani 1 1 d . . .
H10A H 0.6155 0.5535 0.9221 0.055 Uiso 1 1 calc R . .
C11 C 0.4253(4) 0.4191(3) 0.9621(3) 0.0390(14) Uani 1 1 d . . .
H11A H 0.3755 0.3865 0.9710 0.047 Uiso 1 1 calc R A .
C12 C 0.4634(4) 0.4750(3) 1.0081(2) 0.0354(13) Uani 1 1 d . . .
C13 C 0.4353(5) 0.1396(3) 0.8518(2) 0.0372(14) Uani 1 1 d . . .
C14 C 0.4766(4) 0.0890(3) 0.9063(2) 0.0344(13) Uani 1 1 d . A .
C15 C 0.5817(4) 0.0816(3) 0.9268(3) 0.0405(14) Uani 1 1 d . . .
H15A H 0.6265 0.1076 0.9058 0.049 Uiso 1 1 calc R A .
C16 C 0.6200(5) 0.0366(3) 0.9773(3) 0.0456(15) Uani 1 1 d . A .
H16A H 0.6900 0.0325 0.9902 0.055 Uiso 1 1 calc R . .
C17 C 0.5528(4) -0.0037(3) 1.0100(2) 0.0315(12) Uani 1 1 d . . .
C18 C 0.4106(4) 0.0498(3) 0.9374(2) 0.0357(13) Uani 1 1 d . . .
H18A H 0.3408 0.0538 0.9235 0.043 Uiso 1 1 calc R A .
C19 C 0.0595(7) 0.2519(4) 0.8558(4) 0.071(2) Uani 1 1 d U . .
H19A H 0.0069 0.2493 0.8210 0.086 Uiso 1 1 calc R A .
N1 N 0.0476(5) 0.2945(4) 0.9010(3) 0.0708(18) Uani 1 1 d . A .
C20 C 0.1255(14) 0.2990(9) 0.9577(7) 0.146(5) Uani 1 1 d U . .
H20A H 0.193(13) 0.251(8) 0.968(7) 0.219 Uiso 1 1 d . . .
H20B H 0.064(13) 0.281(9) 0.985(8) 0.219 Uiso 1 1 d . . .
H20C H 0.167(13) 0.336(9) 0.943(8) 0.219 Uiso 1 1 d . . .
C21 C -0.0411(7) 0.3445(5) 0.8969(5) 0.110(3) Uani 1 1 d . . .
H21A H -0.0860 0.3365 0.8572 0.166 Uiso 1 1 calc R A .
H21B H -0.0181 0.3950 0.8992 0.166 Uiso 1 1 calc R . .
H21C H -0.0766 0.3345 0.9317 0.166 Uiso 1 1 calc R . .
O8 O 0.1738(4) 0.3447(3) 0.7742(3) 0.0730(15) Uani 0.604(16) 1 d PD A 1
N2 N 0.2207(7) 0.4648(4) 0.7651(4) 0.099(2) Uani 0.604(16) 1 d PDU A 1
C22 C 0.2320(10) 0.3940(6) 0.7597(6) 0.064(4) Uani 0.604(16) 1 d PDU A 1
H22A H 0.2889 0.3781 0.7433 0.077 Uiso 0.604(16) 1 calc PR A 1
C23 C 0.1196(18) 0.4864(13) 0.7726(15) 0.215(14) Uiso 0.604(16) 1 d PD A 1
H23A H 0.0803 0.4431 0.7782 0.323 Uiso 0.604(16) 1 calc PR A 1
H23B H 0.0879 0.5128 0.7353 0.323 Uiso 0.604(16) 1 calc PR A 1
H23C H 0.1231 0.5179 0.8093 0.323 Uiso 0.604(16) 1 calc PR A 1
C24 C 0.2972(14) 0.5187(11) 0.7472(10) 0.131(8) Uiso 0.604(16) 1 d PD A 1
H24A H 0.3586 0.4928 0.7428 0.196 Uiso 0.604(16) 1 calc PR A 1
H24B H 0.3122 0.5556 0.7800 0.196 Uiso 0.604(16) 1 calc PR A 1
H24C H 0.2697 0.5422 0.7075 0.196 Uiso 0.604(16) 1 calc PR A 1
O8' O 0.1738(4) 0.3447(3) 0.7742(3) 0.0730(15) Uani 0.396(16) 1 d P A 2
N2' N 0.2207(7) 0.4648(4) 0.7651(4) 0.099(2) Uani 0.396(16) 1 d PDU A 2
C22' C 0.1858(17) 0.4031(8) 0.7941(10) 0.077(7) Uani 0.396(16) 1 d PDU A 2
H22B H 0.1703 0.4105 0.8348 0.092 Uiso 0.396(16) 1 calc PR A 2
C24' C 0.281(3) 0.437(3) 0.720(2) 0.24(2) Uiso 0.396(16) 1 d PD A 2
H24D H 0.2966 0.3860 0.7291 0.354 Uiso 0.396(16) 1 calc PR A 2
H24E H 0.3427 0.4652 0.7237 0.354 Uiso 0.396(16) 1 calc PR A 2
H24F H 0.2430 0.4419 0.6777 0.354 Uiso 0.396(16) 1 calc PR A 2
C23' C 0.195(2) 0.5195(10) 0.8021(12) 0.123(11) Uiso 0.396(16) 1 d PD A 2
H23D H 0.2292 0.5643 0.7932 0.185 Uiso 0.396(16) 1 calc PR A 2
H23E H 0.2161 0.5064 0.8462 0.185 Uiso 0.396(16) 1 calc PR A 2
H23F H 0.1230 0.5268 0.7935 0.185 Uiso 0.396(16) 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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
O6 Fe1 O6 91.3(2) 2_656 . ?
O6 Fe1 O4 171.93(14) 2_656 . ?
O6 Fe1 O4 91.21(15) . . ?
O6 Fe1 O4 91.21(15) 2_656 2_656 ?
O6 Fe1 O4 171.93(14) . 2_656 ?
O4 Fe1 O4 87.4(2) . 2_656 ?
O6 Fe1 O1 86.87(14) 2_656 . ?
O6 Fe1 O1 95.71(14) . . ?
O4 Fe1 O1 85.24(14) . . ?
O4 Fe1 O1 92.09(14) 2_656 . ?
O6 Fe1 O1 95.71(14) 2_656 2_656 ?
O6 Fe1 O1 86.87(14) . 2_656 ?
O4 Fe1 O1 92.09(14) . 2_656 ?
O4 Fe1 O1 85.24(14) 2_656 2_656 ?
O1 Fe1 O1 176.32(17) . 2_656 ?
O5 Fe2 O7 92.5(2) . . ?
O5 Fe2 O3 92.96(17) . . ?
O7 Fe2 O3 105.6(2) . . ?
O5 Fe2 O2 97.54(15) . . ?
O7 Fe2 O2 95.93(19) . . ?
O3 Fe2 O2 155.62(17) . . ?
O5 Fe2 O8 177.51(18) . . ?
O7 Fe2 O8 88.2(2) . . ?
O3 Fe2 O8 84.55(19) . . ?
O2 Fe2 O8 84.79(16) . . ?
O5 Fe2 O1 95.72(15) . . ?
O7 Fe2 O1 153.82(18) . . ?
O3 Fe2 O1 98.81(15) . . ?
O2 Fe2 O1 58.37(13) . . ?
O8 Fe2 O1 84.75(17) . . ?
C1 O2 Fe2 92.0(3) . . ?
C1 O1 Fe1 144.6(3) . . ?
C1 O1 Fe2 88.2(3) . . ?
Fe1 O1 Fe2 108.96(13) . . ?
C7 O3 Fe2 128.1(3) . . ?
C7 O4 Fe1 138.3(4) . . ?
C13 O5 Fe2 129.2(4) . . ?
C13 O6 Fe1 137.6(4) . . ?
C19 O7 Fe2 125.2(5) . . ?
O2 C1 O1 121.1(5) . . ?
O2 C1 C2 119.3(5) . . ?
O1 C1 C2 119.5(5) . . ?
C6 C2 C3 120.2(5) . . ?
C6 C2 C1 120.8(4) . . ?
C3 C2 C1 118.9(5) . . ?
C4 C3 C2 120.0(5) . . ?
C4 C3 H3A 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C3 C4 C5 121.5(5) . . ?
C3 C4 H4A 119.3 . . ?
C5 C4 H4A 119.3 . . ?
C6 C5 C4 122.7(5) 7_556 . ?
C6 C5 C5 118.9(6) 7_556 7_556 ?
C4 C5 C5 118.4(5) . 7_556 ?
C2 C6 C5 121.0(5) . 7_556 ?
C2 C6 H6A 119.5 . . ?
C5 C6 H6A 119.5 7_556 . ?
O4 C7 O3 126.3(5) . . ?
O4 C7 C8 117.1(6) . . ?
O3 C7 C8 116.6(5) . . ?
C11 C8 C9 119.5(5) . . ?
C11 C8 C7 121.4(6) . . ?
C9 C8 C7 119.0(5) . . ?
C10 C9 C8 121.2(6) . . ?
C10 C9 H9A 119.4 . . ?
C8 C9 H9A 119.4 . . ?
C9 C10 C12 120.0(6) . 5_667 ?
C9 C10 H10A 120.0 . . ?
C12 C10 H10A 120.0 5_667 . ?
C8 C11 C12 121.4(6) . . ?
C8 C11 H11A 119.3 . . ?
C12 C11 H11A 119.3 . . ?
C10 C12 C12 120.1(6) 5_667 5_667 ?
C10 C12 C11 122.2(5) 5_667 . ?
C12 C12 C11 117.6(6) 5_667 . ?
O6 C13 O5 126.8(5) . . ?
O6 C13 C14 116.7(5) . . ?
O5 C13 C14 116.4(5) . . ?
C18 C14 C15 119.1(5) . . ?
C18 C14 C13 120.0(5) . . ?
C15 C14 C13 120.9(5) . . ?
C16 C15 C14 121.3(5) . . ?
C16 C15 H15A 119.4 . . ?
C14 C15 H15A 119.4 . . ?
C15 C16 C17 120.2(5) . . ?
C15 C16 H16A 119.9 . . ?
C17 C16 H16A 119.9 . . ?
C17 C17 C18 119.3(6) 5_657 5_657 ?
C17 C17 C16 118.9(6) 5_657 . ?
C18 C17 C16 121.8(5) 5_657 . ?
C14 C18 C17 121.2(5) . 5_657 ?
C14 C18 H18A 119.4 . . ?
C17 C18 H18A 119.4 5_657 . ?
O7 C19 N1 125.1(8) . . ?
O7 C19 H19A 117.4 . . ?
N1 C19 H19A 117.4 . . ?
C19 N1 C20 120.1(9) . . ?
C19 N1 C21 122.0(8) . . ?
C20 N1 C21 117.8(9) . . ?
N1 C20 H20A 120(7) . . ?
N1 C20 H20B 86(9) . . ?
H20A C20 H20B 106(10) . . ?
N1 C20 H20C 98(10) . . ?
H20A C20 H20C 96(10) . . ?
H20B C20 H20C 152(10) . . ?
N1 C21 H21A 109.5 . . ?
N1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 O8 Fe2 111.8(6) . . ?
C22 N2 C23 113.8(13) . . ?
C22 N2 C24 121.6(12) . . ?
C23 N2 C24 122.7(14) . . ?
O8 C22 N2 126.4(12) . . ?
O8 C22 H22A 116.8 . . ?
N2 C22 H22A 116.8 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N2 C24 H24A 109.5 . . ?
N2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
H24D C24' H24E 109.5 . . ?
H24D C24' H24F 109.5 . . ?
H24E C24' H24F 109.5 . . ?
H23D C23' H23E 109.5 . . ?
H23D C23' H23F 109.5 . . ?
H23E C23' H23F 109.5 . . ?
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
Fe1 O6 2.167(3) 2_656 ?
Fe1 O6 2.167(3) . ?
Fe1 O4 2.173(4) . ?
Fe1 O4 2.173(4) 2_656 ?
Fe1 O1 2.195(4) . ?
Fe1 O1 2.195(4) 2_656 ?
Fe2 O5 2.058(4) . ?
Fe2 O7 2.101(5) . ?
Fe2 O3 2.102(4) . ?
Fe2 O2 2.207(3) . ?
Fe2 O8 2.229(5) . ?
Fe2 O1 2.271(4) . ?
O2 C1 1.238(6) . ?
O1 C1 1.270(6) . ?
O3 C7 1.261(7) . ?
O4 C7 1.245(7) . ?
O5 C13 1.256(7) . ?
O6 C13 1.247(7) . ?
O7 C19 1.252(9) . ?
C1 C2 1.505(7) . ?
C2 C6 1.362(8) . ?
C2 C3 1.410(7) . ?
C3 C4 1.360(7) . ?
C3 H3A 0.9300 . ?
C4 C5 1.413(8) . ?
C4 H4A 0.9300 . ?
C5 C6 1.413(7) 7_556 ?
C5 C5 1.420(10) 7_556 ?
C6 C5 1.413(7) 7_556 ?
C6 H6A 0.9300 . ?
C7 C8 1.514(7) . ?
C8 C11 1.348(8) . ?
C8 C9 1.405(8) . ?
C9 C10 1.371(8) . ?
C9 H9A 0.9300 . ?
C10 C12 1.393(8) 5_667 ?
C10 H10A 0.9300 . ?
C11 C12 1.435(7) . ?
C11 H11A 0.9300 . ?
C12 C10 1.393(8) 5_667 ?
C12 C12 1.413(11) 5_667 ?
C13 C14 1.506(7) . ?
C14 C18 1.381(8) . ?
C14 C15 1.400(8) . ?
C15 C16 1.375(7) . ?
C15 H15A 0.9300 . ?
C16 C17 1.421(8) . ?
C16 H16A 0.9300 . ?
C17 C17 1.405(10) 5_657 ?
C17 C18 1.413(7) 5_657 ?
C18 C17 1.413(7) 5_657 ?
C18 H18A 0.9300 . ?
C19 N1 1.261(9) . ?
C19 H19A 0.9300 . ?
N1 C20 1.456(16) . ?
N1 C21 1.477(11) . ?
C20 H20A 1.24(16) . ?
C20 H20B 1.12(19) . ?
C20 H20C 0.95(16) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
O8 C22 1.252(13) . ?
N2 C22 1.296(12) . ?
N2 C23 1.436(17) . ?
N2 C24 1.503(16) . ?
C22 H22A 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C22' H22B 0.9300 . ?
C24' H24D 0.9600 . ?
C24' H24E 0.9600 . ?
C24' H24F 0.9600 . ?
C23' H23D 0.9600 . ?
C23' H23E 0.9600 . ?
C23' H23F 0.9600 . ?
