#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:32:49 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180144 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/41/7104160.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_7104160
loop_
_publ_author_name
'Liu, Isiah Po-Chun'
'Chen, Chi-Hui'
'Chen, Chi-Fen'
'Lee, Gene-Hsiang'
'Peng, Shie-Ming'
_publ_section_title
;
 Asymmetric heterometal string complexes: stereochemical control of the
 unique isomer of (4,0)[CuCuPd(npa)4Cl][PF6] and
 (4,0)[CuCuPt(npa)4Cl][PF6].
;
_journal_issue                   5
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              577
_journal_page_last               579
_journal_paper_doi               10.1039/b817032k
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C59 H47 Cl Cu2 F6 N13 O P Pd'
_chemical_formula_weight         1368.00
_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                 129.573(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.1796(17)
_cell_length_b                   12.1561(6)
_cell_length_c                   19.9041(10)
_cell_measurement_reflns_used    3151
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.54
_cell_measurement_theta_min      2.59
_cell_volume                     5815.1(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       '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  0.0555
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28183
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    1.177
_exptl_absorpt_correction_T_max  0.7987
_exptl_absorpt_correction_T_min  0.7574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SORTAV
_exptl_crystal_colour            dark-brown
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2760
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.407
_refine_diff_density_min         -1.866
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         6687
_refine_ls_number_restraints     130
_refine_ls_restrained_S_all      3.566
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1440P)²+39.2024P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2232
_refine_ls_wR_factor_ref         0.2394
_reflns_number_gt                5280
_reflns_number_total             6687
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b817032k.txt
_cod_data_source_block           ic12879
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7104160
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
Pd Pd 0.5000 0.69611(15) 0.2500 0.0220(7) Uani 1 2 d S . .
Cu1 Cu 0.5000 1.1005(3) 0.2500 0.0266(9) Uani 1 2 d S . .
Cu2 Cu 0.5000 0.8957(2) 0.2500 0.0212(8) Uani 1 2 d S . .
Cl1 Cl 0.5000 1.2969(6) 0.2500 0.0398(17) Uani 1 2 d S . .
N1 N 0.4271(7) 1.0751(14) 0.2320(11) 0.029(3) Uani 1 1 d . . .
N2 N 0.4194(6) 0.8920(13) 0.1940(10) 0.026(3) Uani 1 1 d . . .
N3 N 0.4158(6) 0.7069(13) 0.1620(11) 0.028(3) Uani 1 1 d . . .
N4 N 0.4549(7) 1.0775(13) 0.1169(11) 0.029(3) Uani 1 1 d . . .
N5 N 0.4805(7) 0.8942(12) 0.1334(10) 0.025(3) Uani 1 1 d . . .
N6 N 0.5031(7) 0.7087(13) 0.1517(11) 0.027(3) Uani 1 1 d . . .
C1 C 0.4062(9) 1.1625(18) 0.2431(13) 0.035(4) Uani 1 1 d . . .
H1 H 0.4279 1.2278 0.2663 0.042 Uiso 1 1 calc R . .
C2 C 0.3544(10) 1.163(2) 0.2224(17) 0.046(6) Uani 1 1 d . . .
H2 H 0.3422 1.2262 0.2343 0.055 Uiso 1 1 calc R . .
C3 C 0.3212(10) 1.072(2) 0.1849(17) 0.049(6) Uani 1 1 d . . .
H3 H 0.2850 1.0725 0.1680 0.059 Uiso 1 1 calc R . .
C4 C 0.3416(9) 0.9788(19) 0.1719(16) 0.040(5) Uani 1 1 d . . .
C5 C 0.3958(8) 0.9820(16) 0.1989(13) 0.030(4) Uani 1 1 d . . .
C6 C 0.3095(9) 0.882(2) 0.1285(19) 0.051(6) Uani 1 1 d . . .
H6 H 0.2720 0.8783 0.1061 0.061 Uiso 1 1 calc R . .
C7 C 0.3321(9) 0.7947(18) 0.1192(17) 0.043(6) Uani 1 1 d . . .
H7 H 0.3099 0.7320 0.0874 0.051 Uiso 1 1 calc R . .
C8 C 0.3900(8) 0.7965(16) 0.1573(14) 0.031(4) Uani 1 1 d . . .
C9 C 0.3863(7) 0.6163(16) 0.1052(13) 0.030(4) Uani 1 1 d . . .
C10 C 0.3891(9) 0.5147(18) 0.1382(16) 0.041(5) Uani 1 1 d . . .
H10 H 0.4078 0.5059 0.1986 0.049 Uiso 1 1 calc R . .
C11 C 0.3642(10) 0.424(2) 0.0818(18) 0.049(6) Uani 1 1 d . . .
H11 H 0.3662 0.3536 0.1042 0.059 Uiso 1 1 calc R . .
C12 C 0.3367(9) 0.436(2) -0.0058(17) 0.048(6) Uani 1 1 d . . .
H12 H 0.3200 0.3745 -0.0435 0.057 Uiso 1 1 calc R . .
C13 C 0.3334(9) 0.537(2) -0.0386(15) 0.045(6) Uani 1 1 d . . .
H13 H 0.3144 0.5458 -0.0991 0.055 Uiso 1 1 calc R . .
C14 C 0.3580(8) 0.6288(19) 0.0166(14) 0.036(5) Uani 1 1 d . . .
H14 H 0.3552 0.6993 -0.0065 0.044 Uiso 1 1 calc R . .
C15 C 0.4283(9) 1.1655(18) 0.0649(14) 0.037(5) Uani 1 1 d . . .
H15 H 0.4264 1.2303 0.0895 0.044 Uiso 1 1 calc R . .
C16 C 0.4038(11) 1.167(2) -0.0221(15) 0.047(6) Uani 1 1 d . . .
H16 H 0.3835 1.2293 -0.0571 0.056 Uiso 1 1 calc R . .
C17 C 0.4091(12) 1.075(2) -0.0576(15) 0.051(6) Uani 1 1 d . . .
H17 H 0.3941 1.0755 -0.1167 0.062 Uiso 1 1 calc R . .
C18 C 0.4365(11) 0.9831(18) -0.0063(14) 0.041(5) Uani 1 1 d . . .
C19 C 0.4577(8) 0.9844(16) 0.0815(13) 0.029(4) Uani 1 1 d . . .
C20 C 0.4468(11) 0.886(2) -0.0343(15) 0.048(6) Uani 1 1 d . . .
H20 H 0.4354 0.8827 -0.0914 0.058 Uiso 1 1 calc R . .
C21 C 0.4725(11) 0.7993(19) 0.0191(15) 0.042(5) Uani 1 1 d . . .
H21 H 0.4814 0.7371 0.0011 0.050 Uiso 1 1 calc R . .
C22 C 0.4870(8) 0.8000(16) 0.1042(13) 0.029(4) Uani 1 1 d . . .
C23 C 0.5263(9) 0.6195(16) 0.1382(13) 0.030(4) Uani 1 1 d . . .
C24 C 0.5759(10) 0.6358(19) 0.1519(16) 0.040(5) Uani 1 1 d . . .
H24 H 0.5926 0.7066 0.1670 0.048 Uiso 1 1 calc R . .
C25 C 0.6005(10) 0.548(2) 0.1432(17) 0.047(6) Uani 1 1 d . . .
H25 H 0.6333 0.5591 0.1501 0.056 Uiso 1 1 calc R . .
C26 C 0.5780(10) 0.445(2) 0.1248(16) 0.045(6) Uani 1 1 d . . .
H26 H 0.5959 0.3850 0.1212 0.054 Uiso 1 1 calc R . .
C27 C 0.5288(11) 0.4283(18) 0.1114(15) 0.041(5) Uani 1 1 d . . .
H27 H 0.5130 0.3568 0.0980 0.049 Uiso 1 1 calc R . .
C28 C 0.5028(10) 0.5155(17) 0.1174(14) 0.035(5) Uani 1 1 d . . .
H28 H 0.4690 0.5041 0.1074 0.043 Uiso 1 1 calc R . .
P1 P 0.7535(14) 0.250(3) 0.244(2) 0.157(14) Uiso 0.50 1 d PD A 1
F1 F 0.6914(15) 0.271(5) 0.186(3) 0.14(2) Uiso 0.50 1 d PD A 1
F2 F 0.760(2) 0.266(5) 0.327(3) 0.129(18) Uiso 0.50 1 d PD A 1
F3 F 0.768(2) 0.373(3) 0.250(4) 0.15(2) Uiso 0.50 1 d PD A 1
F4 F 0.747(3) 0.230(6) 0.161(4) 0.25(5) Uiso 0.50 1 d PD A 1
F5 F 0.747(3) 0.126(3) 0.252(5) 0.28(6) Uiso 0.50 1 d PD A 1
F6 F 0.8169(18) 0.227(6) 0.299(5) 0.31(6) Uiso 0.50 1 d PD A 1
O1 O 0.803(5) 0.608(10) 0.419(8) 0.200 Uiso 0.50 1 d PD B 2
N7 N 0.766(6) 0.445(12) 0.408(9) 0.200 Uiso 0.50 1 d PD B 2
C29 C 0.807(7) 0.526(11) 0.455(11) 0.200 Uiso 0.50 1 d PD B 2
H29 H 0.8367 0.5153 0.5156 0.240 Uiso 0.50 1 calc PR B 2
C30 C 0.773(7) 0.360(13) 0.464(11) 0.200 Uiso 0.50 1 d PD B 2
H30A H 0.8092 0.3258 0.4953 0.300 Uiso 0.50 1 calc PR B 2
H30B H 0.7436 0.3038 0.4290 0.300 Uiso 0.50 1 calc PR B 2
H30C H 0.7694 0.3913 0.5061 0.300 Uiso 0.50 1 calc PR B 2
C31 C 0.715(6) 0.500(12) 0.339(10) 0.200 Uiso 0.50 1 d PD B 2
H31A H 0.7229 0.5760 0.3330 0.300 Uiso 0.50 1 calc PR B 2
H31B H 0.6895 0.5020 0.3526 0.300 Uiso 0.50 1 calc PR B 2
H31C H 0.6966 0.4610 0.2838 0.300 Uiso 0.50 1 calc PR B 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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
N6 Pd N6 171.3(9) 2_655 . ?
N6 Pd N3 89.8(7) 2_655 . ?
N6 Pd N3 89.6(7) . . ?
N6 Pd N3 89.6(7) 2_655 2_655 ?
N6 Pd N3 89.8(7) . 2_655 ?
N3 Pd N3 172.6(9) . 2_655 ?
N6 Pd Cu2 85.7(4) 2_655 . ?
N6 Pd Cu2 85.7(4) . . ?
N3 Pd Cu2 86.3(4) . . ?
N3 Pd Cu2 86.3(4) 2_655 . ?
N4 Cu1 N4 164.6(9) 2_655 . ?
N4 Cu1 N1 88.7(6) 2_655 . ?
N4 Cu1 N1 89.0(6) . . ?
N4 Cu1 N1 89.0(6) 2_655 2_655 ?
N4 Cu1 N1 88.7(6) . 2_655 ?
N1 Cu1 N1 163.0(9) . 2_655 ?
N4 Cu1 Cl1 97.7(5) 2_655 . ?
N4 Cu1 Cl1 97.7(5) . . ?
N1 Cu1 Cl1 98.5(5) . . ?
N1 Cu1 Cl1 98.5(5) 2_655 . ?
N4 Cu1 Cu2 82.3(5) 2_655 . ?
N4 Cu1 Cu2 82.3(5) . . ?
N1 Cu1 Cu2 81.5(5) . . ?
N1 Cu1 Cu2 81.5(5) 2_655 . ?
Cl1 Cu1 Cu2 180.000(1) . . ?
N5 Cu2 N5 178.9(9) 2_655 . ?
N5 Cu2 N2 89.5(7) 2_655 . ?
N5 Cu2 N2 90.5(7) . . ?
N5 Cu2 N2 90.5(7) 2_655 2_655 ?
N5 Cu2 N2 89.5(7) . 2_655 ?
N2 Cu2 N2 177.5(9) . 2_655 ?
N5 Cu2 Pd 89.5(4) 2_655 . ?
N5 Cu2 Pd 89.5(4) . . ?
N2 Cu2 Pd 88.7(4) . . ?
N2 Cu2 Pd 88.7(4) 2_655 . ?
N5 Cu2 Cu1 90.5(4) 2_655 . ?
N5 Cu2 Cu1 90.5(4) . . ?
N2 Cu2 Cu1 91.3(4) . . ?
N2 Cu2 Cu1 91.3(4) 2_655 . ?
Pd Cu2 Cu1 180.000(1) . . ?
C1 N1 C5 117.9(18) . . ?
C1 N1 Cu1 116.5(14) . . ?
C5 N1 Cu1 125.0(13) . . ?
C5 N2 C8 121.0(16) . . ?
C5 N2 Cu2 119.2(13) . . ?
C8 N2 Cu2 119.6(12) . . ?
C8 N3 C9 121.8(16) . . ?
C8 N3 Pd 120.6(13) . . ?
C9 N3 Pd 117.6(12) . . ?
C15 N4 C19 118.2(17) . . ?
C15 N4 Cu1 117.3(14) . . ?
C19 N4 Cu1 123.7(13) . . ?
C22 N5 C19 120.3(16) . . ?
C22 N5 Cu2 119.4(12) . . ?
C19 N5 Cu2 120.2(12) . . ?
C22 N6 C23 120.6(16) . . ?
C22 N6 Pd 121.3(13) . . ?
C23 N6 Pd 117.9(12) . . ?
N1 C1 C2 124(2) . . ?
C3 C2 C1 119(2) . . ?
C2 C3 C4 119(2) . . ?
C3 C4 C5 119(2) . . ?
C3 C4 C6 124(2) . . ?
C5 C4 C6 117(2) . . ?
N2 C5 N1 116.9(17) . . ?
N2 C5 C4 121.5(18) . . ?
N1 C5 C4 121.6(18) . . ?
C7 C6 C4 120(2) . . ?
C6 C7 C8 120(2) . . ?
N3 C8 N2 119.4(17) . . ?
N3 C8 C7 121.7(18) . . ?
N2 C8 C7 118.8(17) . . ?
C10 C9 C14 120(2) . . ?
C10 C9 N3 120.4(19) . . ?
C14 C9 N3 119.5(19) . . ?
C9 C10 C11 119(2) . . ?
C12 C11 C10 121(2) . . ?
C13 C12 C11 120(2) . . ?
C12 C13 C14 120(2) . . ?
C9 C14 C13 120(2) . . ?
N4 C15 C16 124(2) . . ?
C15 C16 C17 119(2) . . ?
C18 C17 C16 120(2) . . ?
C17 C18 C19 119(2) . . ?
C17 C18 C20 125(2) . . ?
C19 C18 C20 116.5(19) . . ?
N5 C19 N4 116.9(17) . . ?
N5 C19 C18 122.3(17) . . ?
N4 C19 C18 120.8(18) . . ?
C21 C20 C18 121(2) . . ?
C20 C21 C22 120(2) . . ?
N6 C22 N5 119.4(17) . . ?
N6 C22 C21 121.4(18) . . ?
N5 C22 C21 119.1(17) . . ?
C28 C23 C24 119.7(19) . . ?
C28 C23 N6 121.1(19) . . ?
C24 C23 N6 119.1(18) . . ?
C25 C24 C23 120(2) . . ?
C26 C25 C24 120(2) . . ?
C25 C26 C27 120(2) . . ?
C28 C27 C26 120(2) . . ?
C27 C28 C23 120(2) . . ?
F1 P1 F4 89(2) . . ?
F1 P1 F5 93(2) . . ?
F4 P1 F5 91(2) . . ?
F1 P1 F3 93(2) . . ?
F4 P1 F3 94(2) . . ?
F5 P1 F3 171(3) . . ?
F1 P1 F2 91(2) . . ?
F4 P1 F2 178(3) . . ?
F5 P1 F2 87(2) . . ?
F3 P1 F2 87(2) . . ?
F1 P1 F6 177(3) . . ?
F4 P1 F6 89(2) . . ?
F5 P1 F6 87(2) . . ?
F3 P1 F6 87(2) . . ?
F2 P1 F6 92(2) . . ?
C29 N7 C30 111(10) . . ?
C29 N7 C31 107(10) . . ?
C30 N7 C31 127(10) . . ?
O1 C29 N7 119(10) . . ?
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
Pd N6 2.025(16) 2_655 ?
Pd N6 2.025(16) . ?
Pd N3 2.030(15) . ?
Pd N3 2.030(15) 2_655 ?
Pd Cu2 2.426(3) . ?
Cu1 N4 2.081(16) 2_655 ?
Cu1 N4 2.081(16) . ?
Cu1 N1 2.086(16) . ?
Cu1 N1 2.086(16) 2_655 ?
Cu1 Cl1 2.388(7) . ?
Cu1 Cu2 2.489(4) . ?
Cu2 N5 1.989(15) 2_655 ?
Cu2 N5 1.989(15) . ?
Cu2 N2 1.999(15) . ?
Cu2 N2 1.999(15) 2_655 ?
N1 C1 1.34(3) . ?
N1 C5 1.36(3) . ?
N2 C5 1.35(2) . ?
N2 C8 1.37(2) . ?
N3 C8 1.32(2) . ?
N3 C9 1.42(2) . ?
N4 C15 1.35(3) . ?
N4 C19 1.36(2) . ?
N5 C22 1.36(2) . ?
N5 C19 1.36(2) . ?
N6 C22 1.33(2) . ?
N6 C23 1.42(2) . ?
C1 C2 1.39(3) . ?
C2 C3 1.36(4) . ?
C3 C4 1.41(3) . ?
C4 C5 1.41(3) . ?
C4 C6 1.43(3) . ?
C6 C7 1.35(3) . ?
C7 C8 1.44(3) . ?
C9 C10 1.38(3) . ?
C9 C14 1.39(3) . ?
C10 C11 1.40(3) . ?
C11 C12 1.38(4) . ?
C12 C13 1.36(4) . ?
C13 C14 1.40(3) . ?
C15 C16 1.38(3) . ?
C16 C17 1.39(4) . ?
C17 C18 1.38(3) . ?
C18 C19 1.42(3) . ?
C18 C20 1.43(3) . ?
C20 C21 1.34(3) . ?
C21 C22 1.45(3) . ?
C23 C28 1.39(3) . ?
C23 C24 1.40(3) . ?
C24 C25 1.39(3) . ?
C25 C26 1.36(4) . ?
C26 C27 1.40(3) . ?
C27 C28 1.38(3) . ?
P1 F1 1.52(3) . ?
P1 F4 1.53(3) . ?
P1 F5 1.54(3) . ?
P1 F3 1.55(3) . ?
P1 F2 1.55(3) . ?
P1 F6 1.56(3) . ?
O1 C29 1.20(3) . ?
N7 C29 1.39(4) . ?
N7 C30 1.44(3) . ?
N7 C31 1.44(3) . ?
