#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:55:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180455 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/24/7212480.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_7212480
loop_
_publ_author_name
'Pachfule, Pradip'
'Panda, Tamas'
'Dey, Chandan'
'Banerjee, Rahul'
_publ_section_title
;
 Structural diversity in a series of metal--organic frameworks (MOFs)
 composed of divalent transition metals, 4,4′-bipyridine and a
 flexible carboxylic acid
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              2381
_journal_paper_doi               10.1039/c000723d
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C38 H50 Mn N2 O10 '
_chemical_formula_sum            'C38 H50 Mn N2 O10'
_chemical_formula_weight         749.80
_chemical_name_common            Mn-ADA-2
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 94.286(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.495(2)
_cell_length_b                   11.6667(10)
_cell_length_c                   13.2885(12)
_cell_measurement_reflns_used    3329
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      2.36
_cell_volume                     3632.3(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0628
_diffrn_reflns_av_sigmaI/netI    0.0646
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20390
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.425
_exptl_absorpt_correction_T_max  0.9653
_exptl_absorpt_correction_T_min  0.9486
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, Acta Cryst. (1995) A51 33-58'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prismic
_exptl_crystal_F_000             1620
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.467
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         4251
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.945
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0526
_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)+(0.0501P)²+1.8566P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1139
_reflns_number_gt                3275
_reflns_number_total             4251
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c000723d.txt
_cod_data_source_block           Mn-ADA-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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7212480
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
Mn2 Mn 0.0000 0.27386(4) 0.7500 0.01748(14) Uani 1 2 d S
O9 O 0.39651(8) -0.03678(17) 0.53171(16) 0.0529(6) Uani 1 1 d .
O10 O 0.37376(7) 0.12509(16) 0.60744(14) 0.0435(5) Uani 1 1 d .
H16 H 0.3921 0.1520 0.5620 0.065 Uiso 1 1 d R
O11 O 0.07347(7) 0.27214(15) 0.53282(13) 0.0367(4) Uani 1 1 d .
O12 O 0.08375(7) 0.26833(14) 0.70072(13) 0.0341(4) Uani 1 1 d .
O19 O -0.03375(8) 0.27510(16) 0.58881(13) 0.0316(4) Uani 1 1 d .
N3 N 0.0000 0.4698(2) 0.7500 0.0290(6) Uani 1 2 d S
N4 N 0.0000 0.0770(2) 0.7500 0.0284(6) Uani 1 2 d S
C1 C 0.0000 -0.1630(3) 0.7500 0.0282(8) Uani 1 2 d S
C4 C 0.24568(9) 0.0953(2) 0.63400(18) 0.0284(5) Uani 1 1 d .
H4A H 0.2670 0.1452 0.5897 0.034 Uiso 1 1 d R
H4B H 0.2537 0.1208 0.7016 0.034 Uiso 1 1 d R
C10 C 0.10335(10) 0.26078(19) 0.6158(2) 0.0294(5) Uani 1 1 d .
C12 C -0.02574(10) 0.53016(19) 0.81946(18) 0.0297(5) Uani 1 1 d .
H12 H -0.0440 0.4902 0.8684 0.036 Uiso 1 1 calc R
C14 C 0.18164(9) 0.10902(19) 0.60325(17) 0.0260(5) Uani 1 1 d .
C15 C 0.25249(12) -0.0674(2) 0.5148(2) 0.0469(7) Uani 1 1 d .
H15A H 0.2646 -0.1462 0.5070 0.056 Uiso 1 1 calc R
H15B H 0.2736 -0.0198 0.4707 0.056 Uiso 1 1 calc R
C16 C 0.16680(10) 0.2370(2) 0.6149(2) 0.0328(6) Uani 1 1 d .
H16A H 0.1858 0.2652 0.6773 0.039 Uiso 1 1 calc R
H16B H 0.1816 0.2794 0.5598 0.039 Uiso 1 1 calc R
C26 C 0.15453(13) -0.1313(3) 0.5534(3) 0.0646(10) Uani 1 1 d .
H26A H 0.1644 -0.2135 0.5488 0.077 Uiso 1 1 d R
H26B H 0.1132 -0.1266 0.5358 0.077 Uiso 1 1 d R
C34 C -0.01611(11) 0.0166(2) 0.66696(19) 0.0340(6) Uani 1 1 d .
H34 H -0.0276 0.0563 0.6084 0.041 Uiso 1 1 d R
C35 C -0.02669(10) 0.64829(19) 0.82239(18) 0.0294(5) Uani 1 1 d .
H35 H -0.0447 0.6867 0.8724 0.035 Uiso 1 1 d R
C36 C 0.26555(10) -0.0297(2) 0.62453(19) 0.0332(6) Uani 1 1 d .
C42 C -0.01625(11) -0.1010(2) 0.66342(18) 0.0343(6) Uani 1 1 d .
H42 H -0.0274 -0.1389 0.6036 0.041 Uiso 1 1 d R
C45 C 0.32944(10) -0.0443(2) 0.6593(2) 0.0423(7) Uani 1 1 d .
H45A H 0.3386 -0.1261 0.6635 0.051 Uiso 1 1 d R
H45B H 0.3361 -0.0144 0.7283 0.051 Uiso 1 1 d R
C53 C 0.36999(11) 0.0132(2) 0.5934(2) 0.0382(6) Uani 1 1 d .
C55 C 0.23034(11) -0.1042(2) 0.6922(2) 0.0463(7) Uani 1 1 d .
H55A H 0.2416 -0.1838 0.6864 0.056 Uiso 1 1 calc R
H55B H 0.2380 -0.0811 0.7620 0.056 Uiso 1 1 calc R
C57 C 0.0000 0.7101(3) 0.7500 0.0271(7) Uani 1 2 d S
C58 C 0.14807(11) 0.0325(2) 0.6715(2) 0.0374(6) Uani 1 1 d .
H58A H 0.1076 0.0395 0.6524 0.045 Uiso 1 1 calc R
H58B H 0.1548 0.0573 0.7410 0.045 Uiso 1 1 calc R
C62 C 0.18836(13) -0.0572(3) 0.4849(2) 0.0532(8) Uani 1 1 d .
H62 H 0.1807 -0.0823 0.4148 0.064 Uiso 1 1 calc R
C64 C 0.17044(12) 0.0680(2) 0.49419(19) 0.0413(7) Uani 1 1 d .
H64A H 0.1917 0.1152 0.4500 0.050 Uiso 1 1 calc R
H64B H 0.1302 0.0758 0.4734 0.050 Uiso 1 1 calc R
C70 C 0.16638(12) -0.0927(2) 0.6622(3) 0.0488(8) Uani 1 1 d .
H70 H 0.1448 -0.1406 0.7064 0.059 Uiso 1 1 calc R
H14 H -0.0010(15) 0.281(3) 0.548(3) 0.085(12) Uiso 1 1 d .
H13 H -0.0563(14) 0.325(3) 0.570(2) 0.066(11) Uiso 1 1 d .
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'
Mn Mn 0.3368 0.7283 '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
O12 Mn2 O12 176.51(9) 2_556 .
O12 Mn2 O19 91.45(7) 2_556 .
O12 Mn2 O19 88.58(7) . .
O12 Mn2 O19 88.58(7) 2_556 2_556
O12 Mn2 O19 91.45(7) . 2_556
O19 Mn2 O19 179.26(10) . 2_556
O12 Mn2 N3 91.75(5) 2_556 .
O12 Mn2 N3 91.75(5) . .
O19 Mn2 N3 89.63(5) . .
O19 Mn2 N3 89.63(5) 2_556 .
O12 Mn2 N4 88.25(5) 2_556 .
O12 Mn2 N4 88.25(5) . .
O19 Mn2 N4 90.37(5) . .
O19 Mn2 N4 90.37(5) 2_556 .
N3 Mn2 N4 180.000(1) . .
C53 O10 H16 107.7 . .
C10 O12 Mn2 133.78(16) . .
Mn2 O19 H14 107(2) . .
Mn2 O19 H13 119(2) . .
H14 O19 H13 107(3) . .
C12 N3 C12 116.6(3) 2_556 .
C12 N3 Mn2 121.68(13) 2_556 .
C12 N3 Mn2 121.68(14) . .
C34 N4 C34 116.6(3) . 2_556
C34 N4 Mn2 121.69(14) . .
C34 N4 Mn2 121.69(14) 2_556 .
C42 C1 C42 117.2(3) 2_556 .
C42 C1 C57 121.40(15) 2_556 1_545
C42 C1 C57 121.40(15) . 1_545
C14 C4 C36 111.93(19) . .
C14 C4 H4A 108.0 . .
C36 C4 H4A 109.8 . .
C14 C4 H4B 109.8 . .
C36 C4 H4B 109.5 . .
H4A C4 H4B 107.8 . .
O12 C10 O11 123.9(2) . .
O12 C10 C16 116.5(2) . .
O11 C10 C16 119.5(2) . .
N3 C12 C35 123.6(2) . .
N3 C12 H12 118.2 . .
C35 C12 H12 118.2 . .
C64 C14 C58 108.6(2) . .
C64 C14 C4 108.35(19) . .
C58 C14 C4 108.60(19) . .
C64 C14 C16 111.9(2) . .
C58 C14 C16 111.95(19) . .
C4 C14 C16 107.33(18) . .
C36 C15 C62 110.3(2) . .
C36 C15 H15A 109.6 . .
C62 C15 H15A 109.6 . .
C36 C15 H15B 109.6 . .
C62 C15 H15B 109.6 . .
H15A C15 H15B 108.1 . .
C10 C16 C14 114.05(19) . .
C10 C16 H16A 108.7 . .
C14 C16 H16A 108.7 . .
C10 C16 H16B 108.7 . .
C14 C16 H16B 108.7 . .
H16A C16 H16B 107.6 . .
C70 C26 C62 109.5(2) . .
C70 C26 H26A 108.6 . .
C62 C26 H26A 112.2 . .
C70 C26 H26B 108.5 . .
C62 C26 H26B 112.2 . .
H26A C26 H26B 105.7 . .
N4 C34 C42 123.6(2) . .
N4 C34 H34 118.4 . .
C42 C34 H34 118.0 . .
C12 C35 C57 119.3(2) . .
C12 C35 H35 120.7 . .
C57 C35 H35 119.9 . .
C15 C36 C55 108.4(2) . .
C15 C36 C4 108.1(2) . .
C55 C36 C4 108.0(2) . .
C15 C36 C45 111.9(2) . .
C55 C36 C45 108.4(2) . .
C4 C36 C45 112.0(2) . .
C34 C42 C1 119.5(2) . .
C34 C42 H42 120.3 . .
C1 C42 H42 120.2 . .
C53 C45 C36 114.9(2) . .
C53 C45 H45A 108.9 . .
C36 C45 H45A 109.2 . .
C53 C45 H45B 108.8 . .
C36 C45 H45B 108.8 . .
H45A C45 H45B 105.9 . .
O9 C53 O10 122.5(2) . .
O9 C53 C45 124.0(3) . .
O10 C53 C45 113.5(2) . .
C70 C55 C36 111.0(2) . .
C70 C55 H55A 109.4 . .
C36 C55 H55A 109.4 . .
C70 C55 H55B 109.4 . .
C36 C55 H55B 109.4 . .
H55A C55 H55B 108.0 . .
C35 C57 C35 117.5(3) 2_556 .
C35 C57 C1 121.26(14) 2_556 1_565
C35 C57 C1 121.26(14) . 1_565
C14 C58 C70 110.4(2) . .
C14 C58 H58A 109.6 . .
C70 C58 H58A 109.6 . .
C14 C58 H58B 109.6 . .
C70 C58 H58B 109.6 . .
H58A C58 H58B 108.1 . .
C26 C62 C15 110.4(3) . .
C26 C62 C64 109.6(2) . .
C15 C62 C64 109.0(2) . .
C26 C62 H62 109.3 . .
C15 C62 H62 109.3 . .
C64 C62 H62 109.3 . .
C14 C64 C62 110.3(2) . .
C14 C64 H64A 109.6 . .
C62 C64 H64A 109.6 . .
C14 C64 H64B 109.6 . .
C62 C64 H64B 109.6 . .
H64A C64 H64B 108.1 . .
C26 C70 C55 109.1(2) . .
C26 C70 C58 109.1(2) . .
C55 C70 C58 109.8(2) . .
C26 C70 H70 109.6 . .
C55 C70 H70 109.6 . .
C58 C70 H70 109.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn2 O12 2.1206(16) 2_556
Mn2 O12 2.1207(16) .
Mn2 O19 2.2278(18) .
Mn2 O19 2.2279(18) 2_556
Mn2 N3 2.286(3) .
Mn2 N4 2.297(3) .
O9 C53 1.215(3) .
O10 C53 1.320(3) .
O10 H16 0.8283 .
O11 C10 1.269(3) .
O12 C10 1.254(3) .
O19 H14 0.98(4) .
O19 H13 0.82(3) .
N3 C12 1.340(3) 2_556
N3 C12 1.340(3) .
N4 C34 1.339(3) .
N4 C34 1.339(3) 2_556
C1 C42 1.388(3) 2_556
C1 C42 1.388(3) .
C1 C57 1.481(4) 1_545
C4 C14 1.538(3) .
C4 C36 1.539(3) .
C4 H4A 0.9895 .
C4 H4B 0.9520 .
C10 C16 1.517(3) .
C12 C35 1.379(3) .
C12 H12 0.9300 .
C14 C64 1.530(3) .
C14 C58 1.532(3) .
C14 C16 1.543(3) .
C15 C36 1.532(4) .
C15 C62 1.534(4) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C26 C70 1.520(4) .
C26 C62 1.521(4) .
C26 H26A 0.9898 .
C26 H26B 0.9831 .
C34 C42 1.374(3) .
C34 H34 0.9285 .
C35 C57 1.389(3) .
C35 H35 0.9297 .
C36 C55 1.536(3) .
C36 C45 1.547(3) .
C42 H42 0.9295 .
C45 C53 1.500(3) .
C45 H45A 0.9793 .
C45 H45B 0.9833 .
C55 C70 1.532(4) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C57 C35 1.389(3) 2_556
C57 C1 1.481(4) 1_565
C58 C70 1.530(4) .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C62 C64 1.528(4) .
C62 H62 0.9800 .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C70 H70 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O12 Mn2 O12 C10 86.1(2) 2_556 .
O19 Mn2 O12 C10 -4.3(2) . .
O19 Mn2 O12 C10 176.4(2) 2_556 .
N3 Mn2 O12 C10 -93.9(2) . .
N4 Mn2 O12 C10 86.1(2) . .
O12 Mn2 N3 C12 -144.14(13) 2_556 2_556
O12 Mn2 N3 C12 35.86(13) . 2_556
O19 Mn2 N3 C12 -52.71(13) . 2_556
O19 Mn2 N3 C12 127.29(13) 2_556 2_556
N4 Mn2 N3 C12 54(26) . 2_556
O12 Mn2 N3 C12 35.86(13) 2_556 .
O12 Mn2 N3 C12 -144.14(13) . .
O19 Mn2 N3 C12 127.29(13) . .
O19 Mn2 N3 C12 -52.71(13) 2_556 .
N4 Mn2 N3 C12 -126(28) . .
O12 Mn2 N4 C34 92.89(14) 2_556 .
O12 Mn2 N4 C34 -87.11(14) . .
O19 Mn2 N4 C34 1.45(14) . .
O19 Mn2 N4 C34 -178.55(14) 2_556 .
N3 Mn2 N4 C34 -105(27) . .
O12 Mn2 N4 C34 -87.11(14) 2_556 2_556
O12 Mn2 N4 C34 92.89(14) . 2_556
O19 Mn2 N4 C34 -178.54(14) . 2_556
O19 Mn2 N4 C34 1.46(14) 2_556 2_556
N3 Mn2 N4 C34 75(28) . 2_556
Mn2 O12 C10 O11 11.4(4) . .
Mn2 O12 C10 C16 -168.76(15) . .
C12 N3 C12 C35 -0.13(18) 2_556 .
Mn2 N3 C12 C35 179.87(18) . .
C36 C4 C14 C64 -58.5(3) . .
C36 C4 C14 C58 59.2(3) . .
C36 C4 C14 C16 -179.57(19) . .
O12 C10 C16 C14 95.4(3) . .
O11 C10 C16 C14 -84.8(3) . .
C64 C14 C16 C10 77.2(3) . .
C58 C14 C16 C10 -44.9(3) . .
C4 C14 C16 C10 -164.0(2) . .
C34 N4 C34 C42 -0.62(19) 2_556 .
Mn2 N4 C34 C42 179.38(19) . .
N3 C12 C35 C57 0.3(3) . .
C62 C15 C36 C55 57.7(3) . .
C62 C15 C36 C4 -59.1(3) . .
C62 C15 C36 C45 177.2(2) . .
C14 C4 C36 C15 58.5(3) . .
C14 C4 C36 C55 -58.6(3) . .
C14 C4 C36 C45 -177.8(2) . .
N4 C34 C42 C1 1.2(4) . .
C42 C1 C42 C34 -0.56(17) 2_556 .
C57 C1 C42 C34 179.43(17) 1_545 .
C15 C36 C45 C53 54.1(3) . .
C55 C36 C45 C53 173.6(2) . .
C4 C36 C45 C53 -67.3(3) . .
C36 C45 C53 O9 -101.6(3) . .
C36 C45 C53 O10 77.4(3) . .
C15 C36 C55 C70 -58.8(3) . .
C4 C36 C55 C70 58.0(3) . .
C45 C36 C55 C70 179.5(2) . .
C12 C35 C57 C35 -0.12(16) . 2_556
C12 C35 C57 C1 179.88(16) . 1_565
C64 C14 C58 C70 59.1(3) . .
C4 C14 C58 C70 -58.5(3) . .
C16 C14 C58 C70 -176.8(2) . .
C70 C26 C62 C15 59.7(3) . .
C70 C26 C62 C64 -60.3(3) . .
C36 C15 C62 C26 -59.2(3) . .
C36 C15 C62 C64 61.2(3) . .
C58 C14 C64 C62 -58.7(3) . .
C4 C14 C64 C62 59.1(3) . .
C16 C14 C64 C62 177.3(2) . .
C26 C62 C64 C14 59.8(3) . .
C15 C62 C64 C14 -61.0(3) . .
C62 C26 C70 C55 -59.6(3) . .
C62 C26 C70 C58 60.4(3) . .
C36 C55 C70 C26 60.2(3) . .
C36 C55 C70 C58 -59.3(3) . .
C14 C58 C70 C26 -60.4(3) . .
C14 C58 C70 C55 59.2(3) . .
