#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:18:11 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179684 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/06/7000652.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_7000652
loop_
_publ_author_name
'Wong, Elizabeth'
'Li, John'
'Seward, Corey'
'Wang, Suning'
_publ_section_title
;
 Cu(i) and Ag(i) complexes of 7-azaindolyl and
 2,2′-dipyridylamino substituted 1,3,5-triazine and benzene: the
 central core impact on structure, solution dynamics and fluorescence
 of the complexes
;
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              1776
_journal_page_last               1785
_journal_paper_doi               10.1039/b814393e
_journal_year                    2009
_chemical_formula_sum            'C42 H30 B Cu F4 N9 P'
_chemical_formula_weight         842.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 98.363(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.009(4)
_cell_length_b                   14.840(4)
_cell_length_c                   17.565(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3870.7(18)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20499
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.670
_exptl_absorpt_correction_T_max  0.8777
_exptl_absorpt_correction_T_min  0.8244
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1720
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.318
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         7602
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0443
_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)+(0.0390P)²+3.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.1109
_reflns_number_gt                5236
_reflns_number_total             7602
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b814393e.txt
_cod_data_source_block           jli5
_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 
;
_cod_original_cell_volume        3870.8(19)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7000652
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
P1 P 0.21116(5) 0.46976(5) -0.07950(4) 0.03767(19) Uani 1 1 d . . .
Cu1 Cu 0.16992(2) 0.35053(3) -0.15154(2) 0.04121(12) Uani 1 1 d . . .
N1 N -0.04228(16) 0.35030(17) -0.22119(14) 0.0435(6) Uani 1 1 d . . .
N2 N 0.07169(17) 0.26216(16) -0.13936(13) 0.0415(6) Uani 1 1 d . . .
N3 N 0.22487(17) 0.41952(17) -0.31482(13) 0.0437(6) Uani 1 1 d . . .
N4 N 0.27494(17) 0.31629(17) -0.20848(13) 0.0445(6) Uani 1 1 d . . .
N5 N -0.03787(17) 0.56884(18) -0.40650(14) 0.0481(7) Uani 1 1 d . . .
N6 N 0.07683(19) 0.61928(18) -0.48167(15) 0.0511(7) Uani 1 1 d . . .
N7 N 0.09562(16) 0.38930(17) -0.25930(13) 0.0412(6) Uani 1 1 d . . .
N8 N 0.09455(17) 0.49437(18) -0.36185(14) 0.0471(6) Uani 1 1 d . . .
N9 N -0.04097(17) 0.46121(18) -0.31246(14) 0.0470(6) Uani 1 1 d . . .
C1 C -0.1282(2) 0.5907(3) -0.4068(2) 0.0620(10) Uani 1 1 d . . .
H1A H -0.1657 0.5639 -0.3756 0.074 Uiso 1 1 calc R . .
C2 C -0.1535(3) 0.6557(3) -0.4584(2) 0.0714(11) Uani 1 1 d . . .
H2A H -0.2102 0.6819 -0.4684 0.086 Uiso 1 1 calc R . .
C3 C -0.0768(2) 0.6775(2) -0.49553(19) 0.0551(9) Uani 1 1 d . . .
C4 C -0.0598(3) 0.7362(3) -0.5525(2) 0.0706(11) Uani 1 1 d . . .
H4A H -0.1040 0.7750 -0.5760 0.085 Uiso 1 1 calc R . .
C5 C 0.0252(3) 0.7351(3) -0.5735(2) 0.0688(11) Uani 1 1 d . . .
H5A H 0.0393 0.7737 -0.6118 0.083 Uiso 1 1 calc R . .
C6 C 0.0891(3) 0.6769(2) -0.5376(2) 0.0610(9) Uani 1 1 d . . .
H6B H 0.1455 0.6777 -0.5535 0.073 Uiso 1 1 calc R . .
C7 C -0.0059(2) 0.6219(2) -0.46301(17) 0.0466(8) Uani 1 1 d . . .
C8 C 0.2691(2) 0.4592(2) -0.37222(18) 0.0521(8) Uani 1 1 d . . .
H8B H 0.2426 0.4989 -0.4099 0.062 Uiso 1 1 calc R . .
C9 C 0.3540(2) 0.4313(2) -0.36438(19) 0.0552(9) Uani 1 1 d . . .
H9B H 0.3965 0.4480 -0.3954 0.066 Uiso 1 1 calc R . .
C10 C 0.3693(2) 0.3709(2) -0.29976(18) 0.0502(8) Uani 1 1 d . . .
C11 C 0.4424(2) 0.3229(3) -0.2640(2) 0.0626(10) Uani 1 1 d . . .
H11A H 0.4980 0.3257 -0.2814 0.075 Uiso 1 1 calc R . .
C12 C 0.4297(2) 0.2706(3) -0.2015(2) 0.0672(11) Uani 1 1 d . . .
H12A H 0.4769 0.2361 -0.1767 0.081 Uiso 1 1 calc R . .
C13 C 0.3475(2) 0.2693(2) -0.1760(2) 0.0593(9) Uani 1 1 d . . .
H13A H 0.3414 0.2336 -0.1335 0.071 Uiso 1 1 calc R . .
C14 C 0.2883(2) 0.3644(2) -0.26976(17) 0.0434(7) Uani 1 1 d . . .
C15 C -0.1374(2) 0.3477(2) -0.23419(19) 0.0517(8) Uani 1 1 d . . .
H15A H -0.1740 0.3875 -0.2654 0.062 Uiso 1 1 calc R . .
C16 C -0.1666(2) 0.2798(2) -0.19509(19) 0.0555(9) Uani 1 1 d . . .
H16A H -0.2266 0.2646 -0.1943 0.067 Uiso 1 1 calc R . .
C17 C -0.0901(2) 0.2340(2) -0.15446(17) 0.0459(8) Uani 1 1 d . . .
C18 C -0.0774(3) 0.1599(2) -0.10660(19) 0.0559(9) Uani 1 1 d . . .
H18A H -0.1259 0.1257 -0.0957 0.067 Uiso 1 1 calc R . .
C19 C 0.0094(3) 0.1385(2) -0.07558(19) 0.0563(9) Uani 1 1 d . . .
H19A H 0.0202 0.0888 -0.0434 0.068 Uiso 1 1 calc R . .
C20 C 0.0806(2) 0.1904(2) -0.09184(17) 0.0494(8) Uani 1 1 d . . .
H20A H 0.1382 0.1749 -0.0686 0.059 Uiso 1 1 calc R . .
C21 C -0.0132(2) 0.2799(2) -0.17041(16) 0.0413(7) Uani 1 1 d . . .
C22 C 0.0064(2) 0.4025(2) -0.26558(16) 0.0411(7) Uani 1 1 d . . .
C23 C 0.0080(2) 0.5050(2) -0.35792(17) 0.0432(7) Uani 1 1 d . . .
C24 C 0.1345(2) 0.4346(2) -0.31105(16) 0.0424(7) Uani 1 1 d . . .
C25 C 0.1240(2) 0.5554(2) -0.08035(16) 0.0428(7) Uani 1 1 d . . .
C26 C 0.1403(3) 0.6467(2) -0.06718(19) 0.0562(9) Uani 1 1 d . . .
H26A H 0.1992 0.6681 -0.0588 0.067 Uiso 1 1 calc R . .
C27 C 0.0692(3) 0.7059(3) -0.0665(2) 0.0700(11) Uani 1 1 d . . .
H27A H 0.0804 0.7667 -0.0566 0.084 Uiso 1 1 calc R . .
C28 C -0.0181(3) 0.6752(3) -0.0804(2) 0.0764(12) Uani 1 1 d . . .
H28A H -0.0656 0.7153 -0.0804 0.092 Uiso 1 1 calc R . .
C29 C -0.0351(3) 0.5864(3) -0.0941(2) 0.0707(11) Uani 1 1 d . . .
H29A H -0.0942 0.5660 -0.1039 0.085 Uiso 1 1 calc R . .
C30 C 0.0352(2) 0.5259(2) -0.09345(18) 0.0527(8) Uani 1 1 d . . .
H30A H 0.0229 0.4650 -0.1019 0.063 Uiso 1 1 calc R . .
C31 C 0.3026(2) 0.5256(2) -0.11881(16) 0.0418(7) Uani 1 1 d . . .
C32 C 0.3912(2) 0.4999(3) -0.0944(2) 0.0570(9) Uani 1 1 d . . .
H32A H 0.4048 0.4628 -0.0516 0.068 Uiso 1 1 calc R . .
C33 C 0.4591(3) 0.5293(3) -0.1337(2) 0.0703(11) Uani 1 1 d . . .
H33A H 0.5182 0.5117 -0.1172 0.084 Uiso 1 1 calc R . .
C34 C 0.4400(3) 0.5844(3) -0.1969(2) 0.0690(11) Uani 1 1 d . . .
H34A H 0.4859 0.6031 -0.2235 0.083 Uiso 1 1 calc R . .
C35 C 0.3537(3) 0.6114(3) -0.2203(2) 0.0651(10) Uani 1 1 d . . .
H35A H 0.3410 0.6499 -0.2623 0.078 Uiso 1 1 calc R . .
C36 C 0.2850(2) 0.5823(2) -0.18237(18) 0.0515(8) Uani 1 1 d . . .
H36A H 0.2262 0.6006 -0.1994 0.062 Uiso 1 1 calc R . .
C37 C 0.25318(19) 0.4538(2) 0.02244(16) 0.0401(7) Uani 1 1 d . . .
C38 C 0.2533(2) 0.3676(2) 0.05193(18) 0.0490(8) Uani 1 1 d . . .
H38A H 0.2369 0.3193 0.0191 0.059 Uiso 1 1 calc R . .
C39 C 0.2778(2) 0.3522(3) 0.13021(19) 0.0608(9) Uani 1 1 d . . .
H39A H 0.2778 0.2940 0.1497 0.073 Uiso 1 1 calc R . .
C40 C 0.3018(2) 0.4231(3) 0.17829(19) 0.0608(10) Uani 1 1 d . . .
H40A H 0.3176 0.4128 0.2307 0.073 Uiso 1 1 calc R . .
C41 C 0.3030(2) 0.5093(3) 0.15032(19) 0.0614(10) Uani 1 1 d . . .
H41A H 0.3201 0.5571 0.1835 0.074 Uiso 1 1 calc R . .
C42 C 0.2786(2) 0.5246(2) 0.07221(18) 0.0539(9) Uani 1 1 d . . .
H42A H 0.2793 0.5829 0.0531 0.065 Uiso 1 1 calc R . .
B1 B 0.3416(3) 0.5839(4) -0.6140(3) 0.0860(18) Uani 1 1 d D . .
F1 F 0.29013(16) 0.52422(17) -0.65715(14) 0.0876(7) Uani 1 1 d D . .
F2 F 0.42918(17) 0.5752(2) -0.60644(17) 0.1142(10) Uani 1 1 d D . .
F3 F 0.3053(2) 0.6477(2) -0.5797(2) 0.1317(12) Uani 1 1 d D . .
F5 F 0.3442(3) 0.6514(3) -0.6859(3) 0.0926(15) Uani 0.50 1 d PD . .
F5A F 0.3407(4) 0.5268(4) -0.5380(3) 0.1064(18) Uani 0.50 1 d PD . .
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'
B B 0.0013 0.0007 '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'
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'
Cu Cu 0.3201 1.2651 '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
C25 P1 C31 105.01(15) . . ?
C25 P1 C37 104.09(13) . . ?
C31 P1 C37 104.99(14) . . ?
C25 P1 Cu1 114.36(11) . . ?
C31 P1 Cu1 108.10(10) . . ?
C37 P1 Cu1 119.07(11) . . ?
N2 Cu1 N4 121.25(10) . . ?
N2 Cu1 N7 88.48(10) . . ?
N4 Cu1 N7 88.49(10) . . ?
N2 Cu1 P1 127.64(7) . . ?
N4 Cu1 P1 107.85(8) . . ?
N7 Cu1 P1 111.04(7) . . ?
C22 N1 C21 129.5(3) . . ?
C22 N1 C15 121.9(3) . . ?
C21 N1 C15 107.2(3) . . ?
C21 N2 C20 114.3(3) . . ?
C21 N2 Cu1 119.9(2) . . ?
C20 N2 Cu1 125.0(2) . . ?
C24 N3 C14 130.8(2) . . ?
C24 N3 C8 122.1(3) . . ?
C14 N3 C8 107.1(2) . . ?
C14 N4 C13 114.4(3) . . ?
C14 N4 Cu1 118.6(2) . . ?
C13 N4 Cu1 123.5(2) . . ?
C23 N5 C1 123.8(3) . . ?
C23 N5 C7 128.8(3) . . ?
C1 N5 C7 107.4(3) . . ?
C7 N6 C6 113.3(3) . . ?
C24 N7 C22 113.7(3) . . ?
C24 N7 Cu1 121.2(2) . . ?
C22 N7 Cu1 119.96(19) . . ?
C23 N8 C24 113.2(3) . . ?
C23 N9 C22 113.5(3) . . ?
C2 C1 N5 110.5(3) . . ?
C1 C2 C3 107.6(3) . . ?
C4 C3 C7 117.2(3) . . ?
C4 C3 C2 135.8(3) . . ?
C7 C3 C2 107.0(3) . . ?
C3 C4 C5 117.7(3) . . ?
C6 C5 C4 119.7(3) . . ?
N6 C6 C5 125.4(4) . . ?
N6 C7 C3 126.7(3) . . ?
N6 C7 N5 125.8(3) . . ?
C3 C7 N5 107.5(3) . . ?
C9 C8 N3 109.8(3) . . ?
C8 C9 C10 108.4(3) . . ?
C11 C10 C14 118.1(3) . . ?
C11 C10 C9 134.9(3) . . ?
C14 C10 C9 107.0(3) . . ?
C10 C11 C12 117.3(3) . . ?
C13 C12 C11 120.2(3) . . ?
N4 C13 C12 124.3(3) . . ?
N4 C14 C10 125.7(3) . . ?
N4 C14 N3 126.6(3) . . ?
C10 C14 N3 107.6(3) . . ?
C16 C15 N1 109.8(3) . . ?
C15 C16 C17 108.4(3) . . ?
C18 C17 C21 117.6(3) . . ?
C18 C17 C16 135.3(3) . . ?
C21 C17 C16 107.1(3) . . ?
C19 C18 C17 117.7(3) . . ?
C18 C19 C20 120.5(3) . . ?
N2 C20 C19 124.0(3) . . ?
N2 C21 N1 126.6(3) . . ?
N2 C21 C17 125.8(3) . . ?
N1 C21 C17 107.5(3) . . ?
N9 C22 N7 125.7(3) . . ?
N9 C22 N1 115.9(3) . . ?
N7 C22 N1 118.4(3) . . ?
N8 C23 N9 127.3(3) . . ?
N8 C23 N5 116.9(3) . . ?
N9 C23 N5 115.8(3) . . ?
N7 C24 N8 126.3(3) . . ?
N7 C24 N3 118.7(3) . . ?
N8 C24 N3 115.0(3) . . ?
C30 C25 C26 118.4(3) . . ?
C30 C25 P1 116.9(2) . . ?
C26 C25 P1 124.7(3) . . ?
C27 C26 C25 120.1(4) . . ?
C28 C27 C26 120.3(4) . . ?
C29 C28 C27 120.2(4) . . ?
C28 C29 C30 120.3(4) . . ?
C29 C30 C25 120.6(3) . . ?
C32 C31 C36 118.4(3) . . ?
C32 C31 P1 119.8(3) . . ?
C36 C31 P1 120.8(2) . . ?
C33 C32 C31 120.1(3) . . ?
C34 C33 C32 120.6(4) . . ?
C35 C34 C33 119.8(3) . . ?
C34 C35 C36 120.5(4) . . ?
C35 C36 C31 120.7(3) . . ?
C38 C37 C42 118.7(3) . . ?
C38 C37 P1 118.0(2) . . ?
C42 C37 P1 123.1(2) . . ?
C37 C38 C39 120.6(3) . . ?
C40 C39 C38 119.6(3) . . ?
C39 C40 C41 120.9(3) . . ?
C40 C41 C42 119.5(3) . . ?
C37 C42 C41 120.7(3) . . ?
F3 B1 F2 120.9(4) . . ?
F3 B1 F1 120.3(4) . . ?
F2 B1 F1 118.8(4) . . ?
F3 B1 F5A 86.7(5) . . ?
F2 B1 F5A 89.6(4) . . ?
F1 B1 F5A 92.8(4) . . ?
F3 B1 F5 88.3(4) . . ?
F2 B1 F5 90.1(4) . . ?
F1 B1 F5 92.6(4) . . ?
F5A B1 F5 174.0(4) . . ?
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
P1 C25 1.822(3) . ?
P1 C31 1.823(3) . ?
P1 C37 1.825(3) . ?
P1 Cu1 2.2106(10) . ?
Cu1 N2 2.008(3) . ?
Cu1 N4 2.050(2) . ?
Cu1 N7 2.132(2) . ?
N1 C22 1.382(4) . ?
N1 C21 1.401(4) . ?
N1 C15 1.413(4) . ?
N2 C21 1.338(4) . ?
N2 C20 1.348(4) . ?
N3 C24 1.385(4) . ?
N3 C14 1.408(4) . ?
N3 C8 1.414(4) . ?
N4 C14 1.331(4) . ?
N4 C13 1.348(4) . ?
N5 C23 1.388(4) . ?
N5 C1 1.393(4) . ?
N5 C7 1.405(4) . ?
N6 C7 1.331(4) . ?
N6 C6 1.335(4) . ?
N7 C24 1.332(4) . ?
N7 C22 1.341(4) . ?
N8 C23 1.321(4) . ?
N8 C24 1.337(4) . ?
N9 C23 1.331(4) . ?
N9 C22 1.331(4) . ?
C1 C2 1.340(5) . ?
C2 C3 1.439(5) . ?
C3 C4 1.378(5) . ?
C3 C7 1.401(4) . ?
C4 C5 1.379(5) . ?
C5 C6 1.374(5) . ?
C8 C9 1.329(4) . ?
C9 C10 1.438(5) . ?
C10 C11 1.380(5) . ?
C10 C14 1.397(4) . ?
C11 C12 1.381(5) . ?
C12 C13 1.373(5) . ?
C15 C16 1.330(5) . ?
C16 C17 1.433(5) . ?
C17 C18 1.380(4) . ?
C17 C21 1.403(4) . ?
C18 C19 1.374(5) . ?
C19 C20 1.380(5) . ?
C25 C30 1.390(4) . ?
C25 C26 1.391(4) . ?
C26 C27 1.385(5) . ?
C27 C28 1.375(6) . ?
C28 C29 1.357(6) . ?
C29 C30 1.383(5) . ?
C31 C32 1.390(4) . ?
C31 C36 1.392(4) . ?
C32 C33 1.382(5) . ?
C33 C34 1.374(5) . ?
C34 C35 1.362(5) . ?
C35 C36 1.377(5) . ?
C37 C38 1.381(4) . ?
C37 C42 1.384(4) . ?
C38 C39 1.389(4) . ?
C39 C40 1.364(5) . ?
C40 C41 1.371(5) . ?
C41 C42 1.386(4) . ?
B1 F3 1.284(5) . ?
B1 F2 1.308(5) . ?
B1 F1 1.337(5) . ?
B1 F5A 1.583(8) . ?
B1 F5 1.617(8) . ?
