#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:07:11 +0100 (lun 21 de mar de 2016) $
#$Revision: 178595 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/06/4070650.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_4070650
loop_
_publ_author_name
'Vicente, José'
'Gil-Rubio, Juan'
'Barquero, Natalia'
'Jones, Peter G.'
'Bautista, Delia'
_publ_section_title
;
 Synthesis of Luminescent Alkynyl Gold Metalaligands Containing
 2,2′-Bipyridine-5-yl and
 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              646
_journal_paper_doi               10.1021/om7009123
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C54 H46 Au2 Cl4 N4 P2'
_chemical_formula_weight         1348.62
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 104.006(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.8653(11)
_cell_length_b                   14.3420(8)
_cell_length_c                   22.9292(14)
_cell_measurement_reflns_used    9485
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.41
_cell_measurement_theta_min      2.32
_cell_volume                     5062.2(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'ω- & φ-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  0.0744
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            95857
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    6.105
_exptl_absorpt_correction_T_max  0.6746
_exptl_absorpt_correction_T_min  0.4033
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             2616
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.704
_refine_diff_density_min         -1.216
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         14798
_refine_ls_number_restraints     127
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0369
_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)+(0.0366P)²+12.9162P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0961
_reflns_number_gt                9894
_reflns_number_total             14798
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7009123-file004.cif
_cod_data_source_block           assist
_cod_original_cell_volume        5062.2(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4070650
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Au1 Au 0.621530(13) 0.477804(13) 0.280765(8) 0.03021(6) Uani 1 1 d .
Au2 Au 0.352197(13) 0.184530(13) 0.196598(8) 0.03058(6) Uani 1 1 d .
P1 P 0.54905(9) 0.47594(9) 0.18223(5) 0.0270(3) Uani 1 1 d .
P2 P 0.45632(9) 0.18568(8) 0.14325(5) 0.0272(3) Uani 1 1 d .
C1 C 0.6740(4) 0.4667(3) 0.3702(2) 0.0359(12) Uani 1 1 d U
C2 C 0.6920(4) 0.4567(4) 0.4234(2) 0.0397(12) Uani 1 1 d U
C3 C 0.2638(4) 0.2019(4) 0.2462(2) 0.0383(12) Uani 1 1 d U
C4 C 0.2151(4) 0.2138(5) 0.2770(3) 0.0492(15) Uani 1 1 d U
C5 C 0.4802(3) 0.3727(3) 0.1651(2) 0.0275(10) Uani 1 1 d U
H5A H 0.4407 0.3708 0.1926 0.033 Uiso 1 1 calc R
H5B H 0.4438 0.3780 0.1236 0.033 Uiso 1 1 calc R
C6 C 0.5315(3) 0.2815(3) 0.1711(2) 0.0284(10) Uani 1 1 d U
H6A H 0.5613 0.2706 0.2137 0.034 Uiso 1 1 calc R
H6B H 0.5760 0.2852 0.1475 0.034 Uiso 1 1 calc R
C11 C 0.6143(3) 0.4714(3) 0.1272(2) 0.0325(11) Uani 1 1 d DU
C12 C 0.7034(4) 0.4736(5) 0.1446(3) 0.067(2) Uani 1 1 d DU
H12 H 0.7318 0.4819 0.1857 0.080 Uiso 1 1 calc R
C13 C 0.7523(5) 0.4637(7) 0.1020(4) 0.094(3) Uani 1 1 d DU
H13 H 0.8139 0.4661 0.1143 0.112 Uiso 1 1 calc R
C14 C 0.7131(5) 0.4509(6) 0.0436(3) 0.0664(19) Uani 1 1 d DU
H14 H 0.7470 0.4448 0.0148 0.080 Uiso 1 1 calc R
C15 C 0.6258(5) 0.4468(5) 0.0260(3) 0.0604(18) Uani 1 1 d DU
H15 H 0.5984 0.4365 -0.0151 0.073 Uiso 1 1 calc R
C16 C 0.5756(4) 0.4575(5) 0.0674(3) 0.0500(15) Uani 1 1 d DU
H16 H 0.5141 0.4551 0.0544 0.060 Uiso 1 1 calc R
C21 C 0.4728(3) 0.5715(3) 0.15976(19) 0.0268(10) Uani 1 1 d DU
C22 C 0.5040(4) 0.6630(3) 0.16475(19) 0.0318(11) Uani 1 1 d DU
H22 H 0.5648 0.6742 0.1758 0.038 Uiso 1 1 calc R
C23 C 0.4463(4) 0.7377(4) 0.1536(2) 0.0396(12) Uani 1 1 d DU
H23 H 0.4678 0.7997 0.1577 0.048 Uiso 1 1 calc R
C24 C 0.3582(4) 0.7221(4) 0.1367(2) 0.0425(13) Uani 1 1 d DU
H24 H 0.3191 0.7733 0.1289 0.051 Uiso 1 1 calc R
C25 C 0.3267(4) 0.6320(4) 0.1310(2) 0.0386(12) Uani 1 1 d DU
H25 H 0.2659 0.6214 0.1193 0.046 Uiso 1 1 calc R
C26 C 0.3834(3) 0.5570(4) 0.1424(2) 0.0332(11) Uani 1 1 d DU
H26 H 0.3612 0.4953 0.1383 0.040 Uiso 1 1 calc R
C31 C 0.5260(3) 0.0853(3) 0.1451(2) 0.0290(10) Uani 1 1 d DU
C32 C 0.5207(4) 0.0283(3) 0.0955(2) 0.0394(12) Uani 1 1 d DU
H32 H 0.4816 0.0434 0.0584 0.047 Uiso 1 1 calc R
C33 C 0.5720(4) -0.0501(4) 0.0998(3) 0.0488(15) Uani 1 1 d DU
H33 H 0.5683 -0.0883 0.0655 0.059 Uiso 1 1 calc R
C34 C 0.6284(4) -0.0736(4) 0.1534(3) 0.0492(15) Uani 1 1 d DU
H34 H 0.6632 -0.1280 0.1560 0.059 Uiso 1 1 calc R
C35 C 0.6345(4) -0.0183(4) 0.2034(3) 0.0476(14) Uani 1 1 d DU
H35 H 0.6733 -0.0345 0.2405 0.057 Uiso 1 1 calc R
C36 C 0.5835(4) 0.0611(4) 0.1993(2) 0.0356(11) Uani 1 1 d DU
H36 H 0.5878 0.0994 0.2337 0.043 Uiso 1 1 calc R
C41 C 0.4128(3) 0.2163(3) 0.0651(2) 0.0304(10) Uani 1 1 d DU
C42 C 0.3245(4) 0.2220(5) 0.0421(3) 0.0525(16) Uani 1 1 d DU
H42 H 0.2860 0.2028 0.0658 0.063 Uiso 1 1 calc R
C43 C 0.2917(5) 0.2558(5) -0.0158(3) 0.069(2) Uani 1 1 d DU
H43 H 0.2306 0.2605 -0.0312 0.083 Uiso 1 1 calc R
C44 C 0.3458(4) 0.2823(5) -0.0504(3) 0.0564(17) Uani 1 1 d DU
H44 H 0.3224 0.3048 -0.0900 0.068 Uiso 1 1 calc R
C45 C 0.4329(5) 0.2766(4) -0.0288(2) 0.0491(15) Uani 1 1 d DU
H45 H 0.4704 0.2952 -0.0533 0.059 Uiso 1 1 calc R
C46 C 0.4680(4) 0.2435(4) 0.0292(2) 0.0426(13) Uani 1 1 d DU
H46 H 0.5292 0.2395 0.0442 0.051 Uiso 1 1 calc R
C51 C 0.7129(4) 0.4334(4) 0.4862(2) 0.0404(12) Uani 1 1 d U
C52 C 0.7702(4) 0.4868(4) 0.5295(3) 0.0490(15) Uani 1 1 d U
H52 H 0.7939 0.5423 0.5174 0.059 Uiso 1 1 calc R
N53 N 0.7931(4) 0.4615(4) 0.5885(2) 0.0542(14) Uani 1 1 d .
C54 C 0.7583(4) 0.3814(4) 0.6049(2) 0.0387(12) Uani 1 1 d U
C55 C 0.7017(4) 0.3289(4) 0.5650(2) 0.0409(13) Uani 1 1 d U
H55 H 0.6781 0.2739 0.5778 0.049 Uiso 1 1 calc R
C56 C 0.6787(4) 0.3553(5) 0.5064(2) 0.0469(14) Uani 1 1 d U
H56 H 0.6377 0.3187 0.4787 0.056 Uiso 1 1 calc R
C61 C 0.7856(4) 0.3518(5) 0.6690(2) 0.0438(13) Uani 1 1 d U
C62 C 0.8421(4) 0.4041(5) 0.7098(3) 0.0502(15) Uani 1 1 d U
H62 H 0.8646 0.4607 0.6982 0.060 Uiso 1 1 calc R
C63 C 0.8662(5) 0.3736(6) 0.7682(3) 0.0691(19) Uani 1 1 d U
H63 H 0.9062 0.4089 0.7973 0.083 Uiso 1 1 calc R
C64 C 0.8329(5) 0.2928(6) 0.7845(3) 0.067(2) Uani 1 1 d U
H64 H 0.8497 0.2711 0.8248 0.080 Uiso 1 1 calc R
C65 C 0.7758(5) 0.2443(7) 0.7426(3) 0.075(2) Uani 1 1 d U
H65 H 0.7516 0.1887 0.7540 0.090 Uiso 1 1 calc R
N66 N 0.7517(4) 0.2721(5) 0.6844(2) 0.0702(18) Uani 1 1 d .
C71 C 0.1564(4) 0.2208(6) 0.3159(3) 0.0544(16) Uani 1 1 d U
C72 C 0.1171(5) 0.1415(6) 0.3308(3) 0.068(2) Uani 1 1 d U
H72 H 0.1282 0.0845 0.3129 0.082 Uiso 1 1 calc R
N73 N 0.0642(4) 0.1380(5) 0.3687(3) 0.0761(19) Uani 1 1 d .
C74 C 0.0460(4) 0.2184(6) 0.3914(3) 0.0587(17) Uani 1 1 d U
C75 C 0.0793(5) 0.3018(6) 0.3775(3) 0.0670(19) Uani 1 1 d U
H75 H 0.0634 0.3584 0.3936 0.080 Uiso 1 1 calc R
C76 C 0.1363(5) 0.3034(6) 0.3398(3) 0.0669(19) Uani 1 1 d U
H76 H 0.1607 0.3605 0.3308 0.080 Uiso 1 1 calc R
C81 C -0.0135(4) 0.2134(6) 0.4329(3) 0.0635(18) Uani 1 1 d U
C82 C -0.0323(5) 0.1288(7) 0.4566(4) 0.085(3) Uani 1 1 d U
H82 H -0.0076 0.0723 0.4467 0.102 Uiso 1 1 calc R
C83 C -0.0875(5) 0.1283(9) 0.4947(4) 0.100(3) Uani 1 1 d U
H83 H -0.1013 0.0716 0.5117 0.120 Uiso 1 1 calc R
C84 C -0.1218(6) 0.2105(9) 0.5076(4) 0.095(3) Uani 1 1 d U
H84 H -0.1612 0.2119 0.5329 0.114 Uiso 1 1 calc R
C85 C -0.0993(6) 0.2899(9) 0.4839(5) 0.106(3) Uani 1 1 d U
H85 H -0.1220 0.3469 0.4947 0.128 Uiso 1 1 calc R
N86 N -0.0459(5) 0.2935(6) 0.4454(3) 0.094(2) Uani 1 1 d .
C96 C -0.1072(10) 0.5257(10) 0.3733(8) 0.165(7) Uani 1 1 d U
H96A H -0.0953 0.4619 0.3897 0.198 Uiso 1 1 calc R
H96B H -0.1682 0.5273 0.3494 0.198 Uiso 1 1 calc R
C97 C -0.0520(11) 0.5439(10) 0.3347(6) 0.149(5) Uani 1 1 d U
H97A H 0.0097 0.5433 0.3573 0.179 Uiso 1 1 calc R
H97B H -0.0654 0.6054 0.3150 0.179 Uiso 1 1 calc R
Cl1 Cl -0.0956(3) 0.6088(3) 0.43734(17) 0.1636(16) Uani 1 1 d .
Cl2 Cl -0.0719(2) 0.4564(2) 0.28261(15) 0.1242(10) Uani 1 1 d .
C98 C 0.9521(10) -0.1218(10) 0.3358(6) 0.148(5) Uani 1 1 d U
H98A H 0.9852 -0.0680 0.3568 0.178 Uiso 1 1 calc R
H98B H 0.9180 -0.0997 0.2962 0.178 Uiso 1 1 calc R
C99 C 0.8934(9) -0.1542(11) 0.3702(6) 0.152(5) Uani 1 1 d U
H99A H 0.9294 -0.1787 0.4086 0.182 Uiso 1 1 calc R
H99B H 0.8618 -0.2082 0.3483 0.182 Uiso 1 1 calc R
Cl3 Cl 1.0224(2) -0.2033(3) 0.32499(16) 0.1444(13) Uani 1 1 d .
Cl4 Cl 0.8163(2) -0.0819(2) 0.3882(2) 0.1634(17) Uani 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'
N N 0.0061 0.0033 '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'
Au Au -2.0133 8.8022 '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_3
C1 Au1 P1 172.22(16) .
C1 Au1 Au2 84.12(14) 2_655
P1 Au1 Au2 101.41(3) 2_655
C3 Au2 P2 172.26(16) .
C3 Au2 Au1 96.29(16) 2_645
P2 Au2 Au1 90.66(3) 2_645
C11 P1 C21 106.4(2) .
C11 P1 C5 103.6(2) .
C21 P1 C5 103.1(2) .
C11 P1 Au1 117.02(17) .
C21 P1 Au1 114.49(15) .
C5 P1 Au1 110.82(16) .
C31 P2 C41 107.5(2) .
C31 P2 C6 104.3(2) .
C41 P2 C6 102.9(2) .
C31 P2 Au2 119.95(15) .
C41 P2 Au2 112.36(17) .
C6 P2 Au2 108.27(16) .
C2 C1 Au1 169.7(5) .
C1 C2 C51 173.5(6) .
C4 C3 Au2 177.1(5) .
C3 C4 C71 175.6(7) .
C6 C5 P1 113.3(3) .
C5 C6 P2 108.9(3) .
C12 C11 C16 118.2(5) .
C12 C11 P1 121.2(4) .
C16 C11 P1 120.4(4) .
C11 C12 C13 120.2(6) .
C14 C13 C12 120.7(7) .
C13 C14 C15 119.8(6) .
C14 C15 C16 120.6(6) .
C11 C16 C15 120.5(6) .
C26 C21 C22 118.7(5) .
C26 C21 P1 122.0(4) .
C22 C21 P1 119.1(4) .
C23 C22 C21 120.2(5) .
C24 C23 C22 120.3(5) .
C23 C24 C25 119.9(5) .
C24 C25 C26 120.3(5) .
C25 C26 C21 120.5(5) .
C32 C31 C36 118.7(5) .
C32 C31 P2 122.3(4) .
C36 C31 P2 118.8(4) .
C33 C32 C31 120.4(5) .
C34 C33 C32 120.6(5) .
C33 C34 C35 120.1(5) .
C34 C35 C36 119.6(5) .
C35 C36 C31 120.6(5) .
C42 C41 C46 119.0(5) .
C42 C41 P2 120.1(4) .
C46 C41 P2 120.6(4) .
C41 C42 C43 119.9(6) .
C44 C43 C42 120.8(6) .
C45 C44 C43 120.2(6) .
C44 C45 C46 120.5(6) .
C41 C46 C45 119.7(6) .
C56 C51 C52 116.5(5) .
C56 C51 C2 121.0(5) .
C52 C51 C2 122.5(6) .
N53 C52 C51 122.0(6) .
C52 N53 C54 118.0(5) .
C55 C54 N53 122.1(5) .
C55 C54 C61 119.8(6) .
N53 C54 C61 118.1(5) .
C54 C55 C56 119.4(6) .
C55 C56 C51 121.9(6) .
N66 C61 C62 121.9(6) .
N66 C61 C54 117.5(6) .
C62 C61 C54 120.6(6) .
C61 C62 C63 118.6(7) .
C64 C63 C62 120.3(7) .
C65 C64 C63 118.8(7) .
C64 C65 N66 122.2(8) .
C61 N66 C65 118.2(7) .
C76 C71 C72 116.7(6) .
C76 C71 C4 123.7(7) .
C72 C71 C4 119.6(6) .
N73 C72 C71 125.5(7) .
C74 N73 C72 116.7(8) .
N73 C74 C75 122.2(6) .
N73 C74 C81 116.0(8) .
C75 C74 C81 121.8(7) .
C74 C75 C76 120.1(7) .
C71 C76 C75 118.7(8) .
N86 C81 C82 122.8(7) .
N86 C81 C74 115.9(8) .
C82 C81 C74 121.3(7) .
C83 C82 C81 118.8(9) .
C84 C83 C82 118.8(11) .
C85 C84 C83 119.1(9) .
C84 C85 N86 124.1(10) .
C81 N86 C85 116.4(9) .
C97 C96 Cl1 114.7(10) .
C96 C97 Cl2 105.3(11) .
C99 C98 Cl3 113.5(11) .
C98 C99 Cl4 121.8(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 2.024(5) .
Au1 P1 2.2737(12) .
Au1 Au2 3.0214(3) 2_655
Au2 C3 2.024(5) .
Au2 P2 2.2812(13) .
Au2 Au1 3.0214(3) 2_645
P1 C11 1.816(5) .
P1 C21 1.819(5) .
P1 C5 1.825(5) .
P2 C31 1.810(5) .
P2 C41 1.812(5) .
P2 C6 1.830(5) .
C1 C2 1.192(7) .
C2 C51 1.437(8) .
C3 C4 1.179(8) .
C4 C71 1.440(8) .
C5 C6 1.529(7) .
C11 C12 1.374(7) .
C11 C16 1.375(7) .
C12 C13 1.393(9) .
C13 C14 1.346(9) .
C14 C15 1.347(9) .
C15 C16 1.389(8) .
C21 C26 1.392(7) .
C21 C22 1.397(6) .
C22 C23 1.392(7) .
C23 C24 1.375(7) .
C24 C25 1.379(7) .
C25 C26 1.386(7) .
C31 C32 1.385(6) .
C31 C36 1.397(7) .
C32 C33 1.377(7) .
C33 C34 1.376(8) .
C34 C35 1.377(8) .
C35 C36 1.386(7) .
C41 C42 1.375(7) .
C41 C46 1.394(7) .
C42 C43 1.391(8) .
C43 C44 1.357(8) .
C44 C45 1.353(8) .
C45 C46 1.395(7) .
C51 C56 1.374(8) .
C51 C52 1.402(8) .
C52 N53 1.361(8) .
N53 C54 1.365(8) .
C54 C55 1.346(8) .
C54 C61 1.490(7) .
C55 C56 1.357(8) .
C61 N66 1.346(9) .
C61 C62 1.355(9) .
C62 C63 1.372(9) .
C63 C64 1.363(11) .
C64 C65 1.345(11) .
C65 N66 1.356(8) .
C71 C76 1.375(10) .
C71 C72 1.381(11) .
C72 N73 1.346(8) .
N73 C74 1.327(10) .
C74 C75 1.376(11) .
C74 C81 1.494(9) .
C75 C76 1.394(10) .
C81 N86 1.320(10) .
C81 C82 1.392(12) .
C82 C83 1.379(11) .
C83 C84 1.361(14) .
C84 C85 1.346(15) .
C85 N86 1.364(11) .
C96 C97 1.413(17) .
C96 Cl1 1.865(15) .
C97 Cl2 1.708(14) .
C98 C99 1.436(17) .
C98 Cl3 1.675(13) .
C99 Cl4 1.730(13) .
