#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/46/4324605.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_4324605
loop_
_publ_author_name
'Tian-Fu Liu'
'Jian Lü'
'Chongbin Tian'
'Minna Cao'
'Zujin Lin'
'Rong Cao'
_publ_section_title
;
 Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks
 Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures,
 Ion-Exchanges, and Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2264
_journal_page_last               2271
_journal_paper_doi               10.1021/ic1019229
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C70 H48 Co3 N2 O24'
_chemical_formula_weight         1477.89
_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-97
_cell_angle_alpha                108.099(2)
_cell_angle_beta                 102.855(4)
_cell_angle_gamma                101.216(2)
_cell_formula_units_Z            1
_cell_length_a                   11.868(3)
_cell_length_b                   16.265(5)
_cell_length_c                   16.379(5)
_cell_measurement_reflns_used    8388
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4623
_cell_measurement_theta_min      2.2737
_cell_volume                     2808.9(14)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0716
_diffrn_reflns_av_sigmaI/netI    0.1256
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24190
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_diffrn_reflns_theta_min         2.27
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.487
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5561
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    0.874
_exptl_crystal_description       Prism
_exptl_crystal_F_000             755
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         0.304
_refine_diff_density_min         -0.188
_refine_diff_density_rms         0.035
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.937
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         12617
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.937
_refine_ls_R_factor_all          0.1217
_refine_ls_R_factor_gt           0.0836
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1264P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2376
_refine_ls_wR_factor_ref         0.2562
_reflns_number_gt                6202
_reflns_number_total             12617
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1019229_si_002_1.cif
_cod_data_source_block           compound1
_cod_original_cell_volume        2808.7(14)
_cod_original_formula_sum        'C70 H48 Co3 N2 O24 '
_cod_database_code               4324605
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
Co1 Co 0.18269(5) 0.89444(4) 0.38414(4) 0.049(2) Uani 1 1 d .
O1 O 0.4838(5) 0.4881(3) 0.1575(5) 0.144(3) Uani 1 1 d .
N1 N 0.0673(7) 0.1421(6) 0.4697(6) 0.154(4) Uani 1 1 d .
C1 C 0.4591(4) 0.3399(3) 0.0583(3) 0.041(2) Uani 1 1 d .
Co2 Co 0.5000 1.0000 0.5000 0.045(2) Uani 1 2 d S
O2 O 0.4747(3) 0.8648(2) 0.4105(2) 0.052(2) Uani 1 1 d .
C2 C 0.4036(5) 0.4124(3) 0.1020(4) 0.064(2) Uani 1 1 d .
H2A H 0.3503 0.4246 0.0540 0.076 Uiso 1 1 calc R
H2B H 0.3532 0.3894 0.1352 0.076 Uiso 1 1 calc R
O3 O 0.2790(3) 0.8101(2) 0.3312(2) 0.062(2) Uani 1 1 d .
C3 C 0.4495(6) 0.5639(4) 0.1945(5) 0.097(3) Uani 1 1 d .
O4 O 0.6723(3) 0.4053(2) 0.1296(3) 0.082(2) Uani 1 1 d .
C4 C 0.5425(6) 0.6347(4) 0.2508(7) 0.134(4) Uani 1 1 d .
H4 H 0.6225 0.6306 0.2570 0.160 Uiso 1 1 calc R
O5 O 1.0179(3) 0.8060(2) 0.2759(3) 0.064(2) Uani 1 1 d .
O6 O 1.0486(4) 0.7780(3) 0.3998(3) 0.081(2) Uani 1 1 d .
C6 C 0.4071(4) 0.7215(3) 0.2923(3) 0.049(2) Uani 1 1 d .
O7 O 0.4186(3) 0.2103(2) -0.07348(19) 0.060(2) Uani 1 1 d .
C7 C 0.3132(5) 0.6490(3) 0.2339(3) 0.062(2) Uani 1 1 d .
H7 H 0.2329 0.6522 0.2281 0.074 Uiso 1 1 calc R
O8 O 0.3205(2) -0.04234(19) -0.47797(19) 0.045(2) Uani 1 1 d .
C8 C 0.3335(6) 0.5695(3) 0.1822(4) 0.079(3) Uani 1 1 d .
H8 H 0.2678 0.5205 0.1394 0.095 Uiso 1 1 calc R
O9 O 0.1448(3) -0.0121(2) -0.4924(2) 0.058(2) Uani 1 1 d .
C9 C 0.3846(4) 0.8055(3) 0.3484(3) 0.047(2) Uani 1 1 d .
O10 O 0.3608(3) 0.2367(2) 0.1149(2) 0.057(2) Uani 1 1 d .
C10 C 0.5831(5) 0.3796(3) 0.0497(4) 0.063(2) Uani 1 1 d .
H10A H 0.6006 0.3339 0.0018 0.076 Uiso 1 1 calc R
H10B H 0.5814 0.4325 0.0322 0.076 Uiso 1 1 calc R
O11 O 0.2128(3) -0.0047(2) 0.3306(2) 0.058(2) Uani 1 1 d .
C11 C 0.7480(4) 0.4913(3) 0.1707(4) 0.059(2) Uani 1 1 d .
O12 O 0.4133(3) 0.0347(2) 0.3899(2) 0.054(2) Uani 1 1 d .
C12 C 0.7810(4) 0.5465(3) 0.1270(4) 0.056(2) Uani 1 1 d .
H12 H 0.7493 0.5264 0.0633 0.067 Uiso 1 1 calc R
C13 C 0.8607(4) 0.6321(3) 0.1754(3) 0.053(2) Uani 1 1 d .
H13 H 0.8821 0.6702 0.1441 0.064 Uiso 1 1 calc R
C14 C 0.9089(4) 0.6627(3) 0.2669(3) 0.049(2) Uani 1 1 d .
C15 C 0.8794(5) 0.6063(4) 0.3117(4) 0.076(3) Uani 1 1 d .
H15 H 0.9145 0.6254 0.3750 0.092 Uiso 1 1 calc R
C16 C 0.7969(5) 0.5204(4) 0.2627(4) 0.079(3) Uani 1 1 d .
H16 H 0.7746 0.4820 0.2935 0.095 Uiso 1 1 calc R
C17 C 0.9961(4) 0.7539(3) 0.3168(4) 0.057(2) Uani 1 1 d .
C18 C 0.3722(4) 0.2837(3) -0.0367(3) 0.044(2) Uani 1 1 d .
H18B H 0.2902 0.2608 -0.0339 0.053 Uiso 1 1 calc R
H18A H 0.3685 0.3208 -0.0746 0.053 Uiso 1 1 calc R
C19 C 0.3698(4) 0.1589(3) -0.1636(3) 0.051(2) Uani 1 1 d .
C20 C 0.4381(4) 0.1055(3) -0.2001(3) 0.054(2) Uani 1 1 d .
H20 H 0.5115 0.1050 -0.1627 0.065 Uiso 1 1 calc R
C21 C 0.3987(4) 0.0535(3) -0.2907(3) 0.050(2) Uani 1 1 d .
H21 H 0.4466 0.0187 -0.3163 0.060 Uiso 1 1 calc R
C22 C 0.2895(4) 0.0516(3) -0.3448(3) 0.045(2) Uani 1 1 d .
C23 C 0.2198(4) 0.1032(3) -0.3080(3) 0.049(2) Uani 1 1 d .
H23 H 0.1453 0.1022 -0.3453 0.059 Uiso 1 1 calc R
C24 C 0.2596(4) 0.1568(3) -0.2162(3) 0.053(2) Uani 1 1 d .
H24 H 0.2116 0.1912 -0.1903 0.063 Uiso 1 1 calc R
C25 C 0.2489(4) -0.0030(3) -0.4436(3) 0.044(2) Uani 1 1 d .
C26 C 0.4764(4) 0.2820(3) 0.1152(3) 0.048(2) Uani 1 1 d .
H26B H 0.5177 0.2375 0.0897 0.057 Uiso 1 1 calc R
H26A H 0.5265 0.3205 0.1777 0.057 Uiso 1 1 calc R
C27 C 0.3564(4) 0.1883(3) 0.1695(3) 0.055(2) Uani 1 1 d .
C28 C 0.2440(4) 0.1444(4) 0.1685(4) 0.068(2) Uani 1 1 d .
H28 H 0.1741 0.1476 0.1293 0.082 Uiso 1 1 calc R
C29 C 0.2309(4) 0.0967(4) 0.2225(4) 0.063(2) Uani 1 1 d .
H29 H 0.1524 0.0692 0.2223 0.075 Uiso 1 1 calc R
C30 C 0.3297(4) 0.0879(3) 0.2773(3) 0.045(2) Uani 1 1 d .
C31 C 0.4426(4) 0.1309(4) 0.2777(4) 0.061(2) Uani 1 1 d .
H31 H 0.5118 0.1259 0.3160 0.073 Uiso 1 1 calc R
C32 C 0.4583(4) 0.1810(4) 0.2242(4) 0.064(2) Uani 1 1 d .
H32 H 0.5367 0.2096 0.2252 0.077 Uiso 1 1 calc R
C33 C 0.3178(4) 0.0360(3) 0.3375(3) 0.049(2) Uani 1 1 d .
C34 C 0.1959(8) 0.2007(6) 0.5087(7) 0.128(4) Uani 1 1 d .
C35 C 0.0083(9) 0.1171(6) 0.3772(6) 0.124(3) Uani 1 1 d .
C55 C 0.5231(6) 0.7147(4) 0.3007(5) 0.099(3) Uani 1 1 d .
H5 H 0.5899 0.7646 0.3406 0.119 Uiso 1 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'
Co Co 0.3494 0.9721 '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'
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
O3 Co1 O11 103.22(14) . 1_565
O3 Co1 O5 89.95(13) . 1_455
O11 Co1 O5 96.32(14) 1_565 1_455
O3 Co1 O8 93.84(12) . 1_566
O11 Co1 O8 102.65(12) 1_565 1_566
O5 Co1 O8 159.23(13) 1_455 1_566
O3 Co1 O9 150.13(13) . 1_566
O11 Co1 O9 93.17(13) 1_565 1_566
O5 Co1 O9 113.16(13) 1_455 1_566
O8 Co1 O9 57.87(10) 1_566 1_566
O3 Co1 O6 92.65(15) . 1_455
O11 Co1 O6 149.60(14) 1_565 1_455
O5 Co1 O6 57.43(14) 1_455 1_455
O8 Co1 O6 101.96(13) 1_566 1_455
O9 Co1 O6 85.02(14) 1_566 1_455
C2 O1 C3 120.9(5) . .
C35 N1 C34 119.0(8) . .
C2 C1 C26 109.4(4) . .
C2 C1 C18 107.0(4) . .
C26 C1 C18 111.5(3) . .
C2 C1 C10 112.8(4) . .
C26 C1 C10 107.8(4) . .
C18 C1 C10 108.4(4) . .
O2 Co2 O2 180.000(1) . 2_676
O2 Co2 O12 91.58(12) . 1_565
O2 Co2 O12 88.42(12) 2_676 1_565
O2 Co2 O12 88.42(12) . 2_666
O2 Co2 O12 91.58(12) 2_676 2_666
O12 Co2 O12 180.000(1) 1_565 2_666
O2 Co2 O8 89.24(11) . 2_665
O2 Co2 O8 90.76(11) 2_676 2_665
O12 Co2 O8 90.31(11) 1_565 2_665
O12 Co2 O8 89.69(11) 2_666 2_665
O2 Co2 O8 90.76(11) . 1_566
O2 Co2 O8 89.24(11) 2_676 1_566
O12 Co2 O8 89.69(11) 1_565 1_566
O12 Co2 O8 90.31(11) 2_666 1_566
O8 Co2 O8 180.000(1) 2_665 1_566
C9 O2 Co2 133.2(3) . .
O1 C2 C1 113.3(4) . .
O1 C2 H2A 108.9 . .
C1 C2 H2A 108.9 . .
O1 C2 H2B 108.9 . .
C1 C2 H2B 108.9 . .
H2A C2 H2B 107.7 . .
C9 O3 Co1 138.2(3) . .
C4 C3 C8 120.6(5) . .
C4 C3 O1 113.0(6) . .
C8 C3 O1 126.2(6) . .
C11 O4 C10 121.5(4) . .
C3 C4 C55 120.6(6) . .
C3 C4 H4 119.7 . .
C55 C4 H4 119.7 . .
C17 O5 Co1 93.4(3) . 1_655
C17 O6 Co1 86.5(3) . 1_655
C7 C6 C55 118.4(4) . .
C7 C6 C9 120.7(4) . .
C55 C6 C9 120.8(4) . .
C19 O7 C18 118.0(3) . .
C6 C7 C8 121.0(5) . .
C6 C7 H7 119.5 . .
C8 C7 H7 119.5 . .
C25 O8 Co2 136.8(3) . 1_544
C25 O8 Co1 92.0(2) . 1_544
Co2 O8 Co1 106.29(12) 1_544 1_544
C3 C8 C7 119.0(5) . .
C3 C8 H8 120.5 . .
C7 C8 H8 120.5 . .
C25 O9 Co1 89.7(2) . 1_544
O3 C9 O2 125.7(4) . .
O3 C9 C6 117.2(4) . .
O2 C9 C6 117.1(4) . .
C27 O10 C26 117.8(3) . .
O4 C10 C1 110.8(4) . .
O4 C10 H10A 109.5 . .
C1 C10 H10A 109.5 . .
O4 C10 H10B 109.5 . .
C1 C10 H10B 109.5 . .
H10A C10 H10B 108.1 . .
C33 O11 Co1 120.8(3) . 1_545
C12 C11 O4 125.0(5) . .
C12 C11 C16 119.3(5) . .
O4 C11 C16 115.6(5) . .
C33 O12 Co2 149.7(3) . 1_545
C11 C12 C13 120.2(5) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C14 C13 C12 121.3(4) . .
C14 C13 H13 119.3 . .
C12 C13 H13 119.3 . .
C13 C14 C15 119.1(5) . .
C13 C14 C17 120.2(4) . .
C15 C14 C17 120.7(5) . .
C14 C15 C16 119.4(5) . .
C14 C15 H15 120.3 . .
C16 C15 H15 120.3 . .
C11 C16 C15 120.6(5) . .
C11 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
O5 C17 O6 120.4(5) . .
O5 C17 C14 120.0(5) . .
O6 C17 C14 119.6(5) . .
O7 C18 C1 106.5(3) . .
O7 C18 H18B 110.4 . .
C1 C18 H18B 110.4 . .
O7 C18 H18A 110.4 . .
C1 C18 H18A 110.4 . .
H18B C18 H18A 108.6 . .
O7 C19 C24 124.1(4) . .
O7 C19 C20 115.1(4) . .
C24 C19 C20 120.8(4) . .
C21 C20 C19 119.6(4) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
C20 C21 C22 120.3(4) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C21 C22 C23 120.2(4) . .
C21 C22 C25 120.0(4) . .
C23 C22 C25 119.7(4) . .
C22 C23 C24 119.9(4) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C19 C24 C23 119.1(4) . .
C19 C24 H24 120.4 . .
C23 C24 H24 120.4 . .
O9 C25 O8 120.4(4) . .
O9 C25 C22 120.7(4) . .
O8 C25 C22 118.8(4) . .
O10 C26 C1 108.4(3) . .
O10 C26 H26B 110.0 . .
C1 C26 H26B 110.0 . .
O10 C26 H26A 110.0 . .
C1 C26 H26A 110.0 . .
H26B C26 H26A 108.4 . .
O10 C27 C28 117.4(4) . .
O10 C27 C32 123.3(4) . .
C28 C27 C32 119.4(4) . .
C29 C28 C27 121.4(4) . .
C29 C28 H28 119.3 . .
C27 C28 H28 119.3 . .
C28 C29 C30 120.7(4) . .
C28 C29 H29 119.7 . .
C30 C29 H29 119.7 . .
C29 C30 C31 118.1(4) . .
C29 C30 C33 121.7(4) . .
C31 C30 C33 120.2(4) . .
C30 C31 C32 122.3(4) . .
C30 C31 H31 118.8 . .
C32 C31 H31 118.8 . .
C27 C32 C31 118.1(4) . .
C27 C32 H32 121.0 . .
C31 C32 H32 121.0 . .
O11 C33 O12 125.0(4) . .
O11 C33 C30 116.7(4) . .
O12 C33 C30 118.3(4) . .
C6 C55 C4 120.2(6) . .
C6 C55 H5 119.9 . .
C4 C55 H5 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 2.062(3) .
Co1 O11 2.096(3) 1_565
Co1 O5 2.194(3) 1_455
Co1 O8 2.256(3) 1_566
Co1 O9 2.315(3) 1_566
Co1 O6 2.344(4) 1_455
O1 C2 1.308(7) .
O1 C3 1.378(6) .
N1 C35 1.409(11) .
N1 C34 1.506(11) .
C1 C2 1.524(6) .
C1 C26 1.527(5) .
C1 C18 1.535(6) .
C1 C10 1.543(6) .
Co2 O2 2.149(3) .
Co2 O2 2.149(3) 2_676
Co2 O12 2.159(3) 1_565
Co2 O12 2.159(3) 2_666
Co2 O8 2.251(3) 2_665
Co2 O8 2.251(3) 1_566
O2 C9 1.271(5) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
O3 C9 1.244(5) .
C3 C4 1.337(10) .
C3 C8 1.371(8) .
O4 C11 1.369(6) .
O4 C10 1.370(6) .
C4 C55 1.398(8) .
C4 H4 0.9500 .
O5 C17 1.257(6) .
O5 Co1 2.194(3) 1_655
O6 C17 1.260(6) .
O6 Co1 2.344(4) 1_655
C6 C7 1.364(7) .
C6 C55 1.382(7) .
C6 C9 1.501(5) .
O7 C19 1.370(5) .
O7 C18 1.432(5) .
C7 C8 1.406(7) .
C7 H7 0.9500 .
O8 C25 1.284(5) .
O8 Co2 2.251(3) 1_544
O8 Co1 2.256(3) 1_544
C8 H8 0.9500 .
O9 C25 1.266(5) .
O9 Co1 2.315(3) 1_544
O10 C27 1.365(5) .
O10 C26 1.424(5) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
O11 C33 1.255(5) .
O11 Co1 2.096(3) 1_545
C11 C12 1.363(7) .
C11 C16 1.376(8) .
O12 C33 1.269(5) .
O12 Co2 2.159(3) 1_545
C12 C13 1.389(6) .
C12 H12 0.9500 .
C13 C14 1.367(7) .
C13 H13 0.9500 .
C14 C15 1.382(7) .
C14 C17 1.488(7) .
C15 C16 1.406(8) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C18 H18B 0.9900 .
C18 H18A 0.9900 .
C19 C24 1.385(6) .
C19 C20 1.391(6) .
C20 C21 1.376(6) .
C20 H20 0.9500 .
C21 C22 1.386(6) .
C21 H21 0.9500 .
C22 C23 1.389(6) .
C22 C25 1.495(6) .
C23 C24 1.398(6) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C26 H26B 0.9900 .
C26 H26A 0.9900 .
C27 C28 1.380(7) .
C27 C32 1.386(6) .
C28 C29 1.360(6) .
C28 H28 0.9500 .
C29 C30 1.371(6) .
C29 H29 0.9500 .
C30 C31 1.382(6) .
C30 C33 1.496(6) .
C31 C32 1.388(7) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C55 H5 0.9500 .
