#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:03:15 +0100 (vie 25 de mar de 2016) $
#$Revision: 179738 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/34/7003401.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_7003401
loop_
_publ_author_name
'Jones, Cameron'
'Mills, David P.'
'Rose, Richard P.'
'Stasch, Andreas'
_publ_section_title
;
 Synthesis and structural characterisation of group 10 metal(ii) gallyl
 complexes: analogies with platinum diboration catalysts?
;
_journal_issue                   33
_journal_name_full               'Dalton Transactions'
_journal_page_first              4395
_journal_page_last               4408
_journal_paper_doi               10.1039/b715895e
_journal_year                    2008
_chemical_formula_sum            'C89 H119 Ga2 N4 P3 Pt'
_chemical_formula_weight         1672.32
_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                84.43(3)
_cell_angle_beta                 89.45(3)
_cell_angle_gamma                78.52(3)
_cell_formula_units_Z            4
_cell_length_a                   16.355(3)
_cell_length_b                   23.357(5)
_cell_length_c                   24.185(5)
_cell_measurement_temperature    150(2)
_cell_volume                     9011(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.0459
_diffrn_reflns_av_sigmaI/netI    0.0741
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            63867
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    2.238
_exptl_absorpt_correction_T_max  0.841
_exptl_absorpt_correction_T_min  0.641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3464
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.294
_refine_diff_density_min         -1.057
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1817
_refine_ls_number_reflns         35058
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0521
_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)+(0.0543P)²+16.5368P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1192
_refine_ls_wR_factor_ref         0.1350
_reflns_number_gt                24553
_reflns_number_total             35058
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b715895e.txt
_cod_data_source_block           compound20
_cod_original_cell_volume        9010(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7003401
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.341318(17) 0.511471(10) 0.254195(9) 0.04346(8) Uani 1 1 d . . .
Pt2 Pt 0.847477(13) 0.018909(9) 0.256509(8) 0.02742(6) Uani 1 1 d . . .
Ga1 Ga 0.36862(4) 0.59976(3) 0.20410(2) 0.04102(17) Uani 1 1 d . . .
Ga2 Ga 0.31643(5) 0.58033(3) 0.32432(3) 0.0522(2) Uani 1 1 d . . .
Ga3 Ga 0.69815(4) 0.02762(3) 0.26008(2) 0.02970(14) Uani 1 1 d . . .
Ga4 Ga 0.81509(4) 0.08448(2) 0.32883(2) 0.02931(13) Uani 1 1 d . . .
P1 P 0.47800(12) 0.64825(8) 0.21207(6) 0.0504(4) Uani 1 1 d . . .
P2 P 0.39278(12) 0.45037(7) 0.18855(6) 0.0452(4) Uani 1 1 d . . .
P3 P 0.33120(12) 0.42771(7) 0.31141(6) 0.0496(4) Uani 1 1 d . . .
P4 P 0.61649(10) -0.01314(7) 0.32577(6) 0.0406(4) Uani 1 1 d . . .
P5 P 0.86353(10) -0.05590(6) 0.20093(6) 0.0334(3) Uani 1 1 d . . .
P6 P 0.99184(9) -0.00039(6) 0.26479(5) 0.0295(3) Uani 1 1 d . . .
N1 N 0.3279(3) 0.64461(19) 0.13806(17) 0.0365(11) Uani 1 1 d . . .
N2 N 0.2680(3) 0.78145(19) 0.08531(17) 0.0347(11) Uani 1 1 d . . .
N3 N 0.2343(4) 0.6101(2) 0.3758(2) 0.0588(16) Uani 1 1 d . . .
N4 N 0.3986(4) 0.5972(2) 0.37193(19) 0.0545(16) Uani 1 1 d . . .
N5 N 0.6109(3) 0.05115(19) 0.20840(16) 0.0307(10) Uani 1 1 d . . .
N6 N 0.4117(3) 0.1232(2) 0.20267(19) 0.0422(12) Uani 1 1 d . . .
N7 N 0.8363(3) 0.15648(18) 0.35068(17) 0.0313(10) Uani 1 1 d . . .
N8 N 0.8076(3) 0.05884(19) 0.40564(17) 0.0340(11) Uani 1 1 d . . .
C1 C 0.4475(4) 0.6942(3) 0.1538(2) 0.0426(14) Uani 1 1 d . . .
C2 C 0.5091(4) 0.7304(3) 0.1265(2) 0.0456(15) Uani 1 1 d . . .
C3 C 0.5679(5) 0.6893(3) 0.0897(3) 0.072(2) Uani 1 1 d . . .
H3A H 0.5975 0.6548 0.1130 0.109 Uiso 1 1 calc R . .
H3B H 0.6084 0.7105 0.0715 0.109 Uiso 1 1 calc R . .
H3C H 0.5348 0.6765 0.0614 0.109 Uiso 1 1 calc R . .
C4 C 0.4689(5) 0.7835(3) 0.0879(3) 0.072(2) Uani 1 1 d . . .
H4A H 0.5124 0.8003 0.0680 0.108 Uiso 1 1 calc R . .
H4B H 0.4358 0.8129 0.1098 0.108 Uiso 1 1 calc R . .
H4C H 0.4325 0.7715 0.0611 0.108 Uiso 1 1 calc R . .
C5 C 0.5602(6) 0.7514(4) 0.1699(3) 0.098(3) Uani 1 1 d . . .
H5A H 0.5904 0.7174 0.1936 0.147 Uiso 1 1 calc R . .
H5B H 0.5228 0.7773 0.1929 0.147 Uiso 1 1 calc R . .
H5C H 0.6001 0.7728 0.1513 0.147 Uiso 1 1 calc R . .
C6 C 0.3671(4) 0.6956(2) 0.1218(2) 0.0357(13) Uani 1 1 d . . .
H6 H 0.3812 0.6951 0.0815 0.043 Uiso 1 1 calc R . .
C7 C 0.2996(3) 0.7494(2) 0.1278(2) 0.0346(13) Uani 1 1 d . . .
H7 H 0.2810 0.7591 0.1637 0.042 Uiso 1 1 calc R . .
C8 C 0.2625(4) 0.6370(2) 0.1025(2) 0.0402(14) Uani 1 1 d . . .
C9 C 0.1807(4) 0.6410(2) 0.1223(3) 0.0455(15) Uani 1 1 d . . .
C10 C 0.1200(4) 0.6312(3) 0.0860(3) 0.0542(17) Uani 1 1 d . . .
H10 H 0.0651 0.6319 0.0994 0.065 Uiso 1 1 calc R . .
C11 C 0.1365(5) 0.6206(3) 0.0315(3) 0.0551(18) Uani 1 1 d . . .
H11 H 0.0934 0.6152 0.0077 0.066 Uiso 1 1 calc R . .
C12 C 0.2161(4) 0.6179(3) 0.0124(3) 0.0488(16) Uani 1 1 d . . .
H12 H 0.2274 0.6114 -0.0253 0.059 Uiso 1 1 calc R . .
C13 C 0.2816(4) 0.6244(2) 0.0468(2) 0.0389(14) Uani 1 1 d . . .
C14 C 0.1541(4) 0.6559(3) 0.1806(3) 0.0525(17) Uani 1 1 d . . .
H14 H 0.2040 0.6632 0.2003 0.063 Uiso 1 1 calc R . .
C15 C 0.1243(5) 0.6056(3) 0.2137(3) 0.069(2) Uani 1 1 d . . .
H15A H 0.0755 0.5973 0.1953 0.104 Uiso 1 1 calc R . .
H15B H 0.1092 0.6163 0.2512 0.104 Uiso 1 1 calc R . .
H15C H 0.1690 0.5706 0.2162 0.104 Uiso 1 1 calc R . .
C16 C 0.0865(5) 0.7123(3) 0.1786(3) 0.068(2) Uani 1 1 d . . .
H16A H 0.1090 0.7453 0.1607 0.102 Uiso 1 1 calc R . .
H16B H 0.0695 0.7203 0.2165 0.102 Uiso 1 1 calc R . .
H16C H 0.0382 0.7073 0.1574 0.102 Uiso 1 1 calc R . .
C17 C 0.3696(4) 0.6164(2) 0.0236(2) 0.0422(14) Uani 1 1 d . . .
H17 H 0.4083 0.6185 0.0548 0.051 Uiso 1 1 calc R . .
C18 C 0.3975(5) 0.5568(3) 0.0012(3) 0.0575(18) Uani 1 1 d . . .
H18A H 0.3967 0.5255 0.0312 0.086 Uiso 1 1 calc R . .
H18B H 0.4542 0.5536 -0.0133 0.086 Uiso 1 1 calc R . .
H18C H 0.3594 0.5530 -0.0286 0.086 Uiso 1 1 calc R . .
C19 C 0.3773(4) 0.6662(3) -0.0219(2) 0.0505(16) Uani 1 1 d . . .
H19A H 0.3433 0.6633 -0.0543 0.076 Uiso 1 1 calc R . .
H19B H 0.4358 0.6627 -0.0329 0.076 Uiso 1 1 calc R . .
H19C H 0.3576 0.7043 -0.0074 0.076 Uiso 1 1 calc R . .
C20 C 0.2016(3) 0.8312(2) 0.0871(2) 0.0343(13) Uani 1 1 d . . .
C21 C 0.1314(4) 0.8331(2) 0.0530(2) 0.0360(13) Uani 1 1 d . . .
C22 C 0.0707(4) 0.8835(3) 0.0471(2) 0.0428(14) Uani 1 1 d . . .
H22 H 0.0235 0.8849 0.0240 0.051 Uiso 1 1 calc R . .
C23 C 0.0767(4) 0.9323(3) 0.0740(2) 0.0472(16) Uani 1 1 d . . .
H23 H 0.0347 0.9670 0.0691 0.057 Uiso 1 1 calc R . .
C24 C 0.1447(4) 0.9296(3) 0.1082(2) 0.0453(15) Uani 1 1 d . . .
H24 H 0.1486 0.9628 0.1271 0.054 Uiso 1 1 calc R . .
C25 C 0.2079(4) 0.8798(2) 0.1158(2) 0.0370(13) Uani 1 1 d . . .
C26 C 0.1234(4) 0.7810(3) 0.0213(2) 0.0424(14) Uani 1 1 d . . .
H26 H 0.1565 0.7450 0.0422 0.051 Uiso 1 1 calc R . .
C27 C 0.0342(4) 0.7721(3) 0.0172(3) 0.0631(19) Uani 1 1 d . . .
H27A H 0.0092 0.7719 0.0542 0.095 Uiso 1 1 calc R . .
H27B H 0.0340 0.7346 0.0023 0.095 Uiso 1 1 calc R . .
H27C H 0.0017 0.8042 -0.0076 0.095 Uiso 1 1 calc R . .
C28 C 0.1622(5) 0.7872(3) -0.0363(2) 0.0589(19) Uani 1 1 d . . .
H28A H 0.1315 0.8225 -0.0578 0.088 Uiso 1 1 calc R . .
H28B H 0.1592 0.7526 -0.0556 0.088 Uiso 1 1 calc R . .
H28C H 0.2207 0.7903 -0.0323 0.088 Uiso 1 1 calc R . .
C29 C 0.2821(4) 0.8812(3) 0.1523(2) 0.0436(15) Uani 1 1 d . . .
H29 H 0.3207 0.8421 0.1528 0.052 Uiso 1 1 calc R . .
C30 C 0.2572(4) 0.8905(3) 0.2125(2) 0.0512(16) Uani 1 1 d . . .
H30A H 0.3075 0.8865 0.2354 0.077 Uiso 1 1 calc R . .
H30B H 0.2250 0.8612 0.2267 0.077 Uiso 1 1 calc R . .
H30C H 0.2231 0.9299 0.2139 0.077 Uiso 1 1 calc R . .
C31 C 0.3298(5) 0.9273(3) 0.1287(3) 0.070(2) Uani 1 1 d . . .
H31A H 0.3473 0.9197 0.0908 0.105 Uiso 1 1 calc R . .
H31B H 0.3790 0.9258 0.1520 0.105 Uiso 1 1 calc R . .
H31C H 0.2937 0.9663 0.1280 0.105 Uiso 1 1 calc R . .
C32 C 0.2753(6) 0.6219(3) 0.4226(3) 0.062(2) Uani 1 1 d . . .
H32 H 0.2451 0.6346 0.4544 0.074 Uiso 1 1 calc R . .
C33 C 0.3575(5) 0.6148(3) 0.4210(2) 0.059(2) Uani 1 1 d . . .
H33 H 0.3882 0.6213 0.4522 0.070 Uiso 1 1 calc R . .
C34 C 0.1486(5) 0.6394(4) 0.3694(3) 0.067(2) Uani 1 1 d . . .
C35 C 0.1272(6) 0.7011(4) 0.3627(3) 0.086(3) Uani 1 1 d . . .
C36 C 0.0421(7) 0.7264(4) 0.3594(4) 0.107(4) Uani 1 1 d . . .
H36 H 0.0258 0.7679 0.3560 0.129 Uiso 1 1 calc R . .
C37 C -0.0165(7) 0.6946(5) 0.3607(4) 0.096(3) Uani 1 1 d U . .
H37 H -0.0733 0.7140 0.3584 0.116 Uiso 1 1 calc R . .
C38 C 0.0028(6) 0.6333(4) 0.3656(3) 0.094(3) Uani 1 1 d . . .
H38 H -0.0399 0.6110 0.3655 0.113 Uiso 1 1 calc R . .
C39 C 0.0875(6) 0.6056(4) 0.3706(3) 0.077(3) Uani 1 1 d . . .
C40 C 0.1919(7) 0.7389(4) 0.3587(4) 0.094(3) Uani 1 1 d . . .
H40 H 0.2474 0.7126 0.3673 0.113 Uiso 1 1 calc R . .
C41 C 0.1949(9) 0.7675(5) 0.2991(5) 0.165(6) Uani 1 1 d . . .
H41A H 0.2165 0.7372 0.2744 0.247 Uiso 1 1 calc R . .
H41B H 0.2315 0.7961 0.2978 0.247 Uiso 1 1 calc R . .
H41C H 0.1386 0.7874 0.2869 0.247 Uiso 1 1 calc R . .
C42 C 0.1781(9) 0.7846(5) 0.4008(6) 0.178(6) Uani 1 1 d . . .
H42A H 0.1222 0.8091 0.3955 0.267 Uiso 1 1 calc R . .
H42B H 0.2200 0.8093 0.3954 0.267 Uiso 1 1 calc R . .
H42C H 0.1834 0.7647 0.4386 0.267 Uiso 1 1 calc R . .
C43 C 0.1082(6) 0.5384(4) 0.3805(3) 0.081(2) Uani 1 1 d . . .
H43 H 0.1621 0.5248 0.3614 0.097 Uiso 1 1 calc R . .
C44 C 0.0437(7) 0.5081(5) 0.3572(5) 0.113(3) Uani 1 1 d U . .
H44A H -0.0062 0.5136 0.3804 0.170 Uiso 1 1 calc R . .
H44B H 0.0671 0.4661 0.3571 0.170 Uiso 1 1 calc R . .
H44C H 0.0287 0.5252 0.3192 0.170 Uiso 1 1 calc R . .
C45 C 0.1227(6) 0.5203(3) 0.4429(4) 0.092(3) Uani 1 1 d . . .
H45A H 0.0704 0.5318 0.4628 0.138 Uiso 1 1 calc R . .
H45B H 0.1651 0.5399 0.4567 0.138 Uiso 1 1 calc R . .
H45C H 0.1419 0.4777 0.4491 0.138 Uiso 1 1 calc R . .
C46 C 0.4810(5) 0.6068(3) 0.3623(2) 0.0519(18) Uani 1 1 d . . .
C47 C 0.4967(5) 0.6641(3) 0.3572(2) 0.0562(19) Uani 1 1 d . . .
C48 C 0.5780(6) 0.6717(3) 0.3496(3) 0.066(2) Uani 1 1 d . . .
H48 H 0.5889 0.7103 0.3476 0.079 Uiso 1 1 calc R . .
C49 C 0.6434(6) 0.6256(3) 0.3449(3) 0.072(2) Uani 1 1 d . . .
H49 H 0.6987 0.6319 0.3396 0.087 Uiso 1 1 calc R . .
C50 C 0.6262(5) 0.5691(3) 0.3481(3) 0.067(2) Uani 1 1 d . . .
H50 H 0.6706 0.5367 0.3442 0.081 Uiso 1 1 calc R . .
C51 C 0.5467(5) 0.5591(3) 0.3568(3) 0.0579(19) Uani 1 1 d . . .
C52 C 0.4268(6) 0.7173(3) 0.3601(2) 0.066(2) Uani 1 1 d . . .
H52 H 0.3725 0.7041 0.3578 0.079 Uiso 1 1 calc R . .
C53 C 0.4297(6) 0.7651(3) 0.3116(3) 0.089(3) Uani 1 1 d . . .
H53A H 0.3806 0.7968 0.3130 0.134 Uiso 1 1 calc R . .
H53B H 0.4297 0.7478 0.2762 0.134 Uiso 1 1 calc R . .
H53C H 0.4804 0.7809 0.3147 0.134 Uiso 1 1 calc R . .
C54 C 0.4287(6) 0.7453(3) 0.4152(3) 0.083(3) Uani 1 1 d . . .
H54A H 0.4286 0.7154 0.4465 0.125 Uiso 1 1 calc R . .
H54B H 0.3794 0.7767 0.4171 0.125 Uiso 1 1 calc R . .
H54C H 0.4792 0.7617 0.4170 0.125 Uiso 1 1 calc R . .
C55 C 0.5333(5) 0.4958(3) 0.3631(3) 0.0596(19) Uani 1 1 d . . .
H55 H 0.4718 0.4971 0.3635 0.072 Uiso 1 1 calc R . .
C56 C 0.5701(6) 0.4635(3) 0.4184(3) 0.088(3) Uani 1 1 d . . .
H56A H 0.5567 0.4243 0.4230 0.132 Uiso 1 1 calc R . .
H56B H 0.5463 0.4856 0.4491 0.132 Uiso 1 1 calc R . .
H56C H 0.6308 0.4600 0.4184 0.132 Uiso 1 1 calc R . .
C57 C 0.5697(5) 0.4626(3) 0.3147(3) 0.072(2) Uani 1 1 d . . .
H57A H 0.5485 0.4851 0.2797 0.107 Uiso 1 1 calc R . .
H57B H 0.5535 0.4242 0.3174 0.107 Uiso 1 1 calc R . .
H57C H 0.6307 0.4570 0.3158 0.107 Uiso 1 1 calc R . .
C58 C 0.3882(5) 0.3754(3) 0.2175(2) 0.0560(18) Uani 1 1 d . . .
H58A H 0.3333 0.3668 0.2083 0.067 Uiso 1 1 calc R . .
H58B H 0.4317 0.3472 0.2001 0.067 Uiso 1 1 calc R . .
C59 C 0.4009(5) 0.3666(3) 0.2802(2) 0.0543(18) Uani 1 1 d . . .
H59A H 0.4598 0.3662 0.2896 0.065 Uiso 1 1 calc R . .
H59B H 0.3875 0.3286 0.2951 0.065 Uiso 1 1 calc R . .
C60 C 0.5023(4) 0.4493(3) 0.1714(2) 0.0488(17) Uani 1 1 d . . .
C61 C 0.5233(4) 0.4995(3) 0.1451(2) 0.0507(17) Uani 1 1 d . . .
H61 H 0.4808 0.5330 0.1352 0.061 Uiso 1 1 calc R . .
C62 C 0.6055(5) 0.5017(4) 0.1330(3) 0.070(2) Uani 1 1 d . . .
H62 H 0.6197 0.5364 0.1151 0.083 Uiso 1 1 calc R . .
C63 C 0.6682(5) 0.4516(4) 0.1479(3) 0.076(2) Uani 1 1 d . . .
H63 H 0.7250 0.4527 0.1405 0.092 Uiso 1 1 calc R . .
C64 C 0.6470(6) 0.4018(4) 0.1726(3) 0.075(2) Uani 1 1 d . . .
H64 H 0.6892 0.3679 0.1815 0.090 Uiso 1 1 calc R . .
C65 C 0.5654(5) 0.4002(3) 0.1849(3) 0.064(2) Uani 1 1 d . . .
H65 H 0.5517 0.3653 0.2027 0.076 Uiso 1 1 calc R . .
C66 C 0.3433(4) 0.4500(3) 0.1211(2) 0.0470(16) Uani 1 1 d . . .
C67 C 0.2630(5) 0.4806(3) 0.1102(3) 0.0515(17) Uani 1 1 d . . .
H67 H 0.2354 0.5065 0.1356 0.062 Uiso 1 1 calc R . .
C68 C 0.2226(5) 0.4732(3) 0.0614(3) 0.0623(19) Uani 1 1 d . . .
H68 H 0.1672 0.4940 0.0537 0.075 Uiso 1 1 calc R . .
C69 C 0.2623(5) 0.4363(3) 0.0248(3) 0.066(2) Uani 1 1 d . . .
H69 H 0.2342 0.4314 -0.0081 0.079 Uiso 1 1 calc R . .
C70 C 0.3430(5) 0.4061(3) 0.0353(3) 0.065(2) Uani 1 1 d . . .
H70 H 0.3705 0.3808 0.0095 0.079 Uiso 1 1 calc R . .
C71 C 0.3835(5) 0.4128(3) 0.0831(2) 0.0529(17) Uani 1 1 d . . .
H71 H 0.4391 0.3920 0.0902 0.063 Uiso 1 1 calc R . .
C72 C 0.3611(4) 0.4149(3) 0.3849(2) 0.0514(17) Uani 1 1 d . . .
C73 C 0.4109(5) 0.3620(3) 0.4071(3) 0.059(2) Uani 1 1 d . . .
H73 H 0.4306 0.3320 0.3835 0.071 Uiso 1 1 calc R . .
C74 C 0.4318(5) 0.3530(3) 0.4629(3) 0.070(2) Uani 1 1 d . . .
H74 H 0.4665 0.3172 0.4775 0.085 Uiso 1 1 calc R . .
C75 C 0.4019(5) 0.3964(4) 0.4980(3) 0.072(2) Uani 1 1 d . . .
H75 H 0.4158 0.3900 0.5364 0.086 Uiso 1 1 calc R . .
C76 C 0.3523(5) 0.4485(3) 0.4767(3) 0.066(2) Uani 1 1 d . . .
H76 H 0.3318 0.4781 0.5004 0.080 Uiso 1 1 calc R . .
C77 C 0.3320(5) 0.4577(3) 0.4203(2) 0.0573(19) Uani 1 1 d . . .
H77 H 0.2979 0.4937 0.4058 0.069 Uiso 1 1 calc R . .
C78 C 0.2310(5) 0.4057(3) 0.3084(3) 0.0528(17) Uani 1 1 d . . .
C79 C 0.1769(5) 0.4274(3) 0.2633(3) 0.063(2) Uani 1 1 d . . .
H79 H 0.1907 0.4563 0.2363 0.076 Uiso 1 1 calc R . .
C80 C 0.1042(6) 0.4074(4) 0.2575(4) 0.079(2) Uani 1 1 d . . .
H80 H 0.0685 0.4219 0.2263 0.095 Uiso 1 1 calc R . .
C81 C 0.0832(6) 0.3661(4) 0.2974(4) 0.084(3) Uani 1 1 d . . .
H81 H 0.0331 0.3519 0.2938 0.101 Uiso 1 1 calc R . .
C82 C 0.1350(6) 0.3460(4) 0.3417(4) 0.079(2) Uani 1 1 d . . .
H82 H 0.1206 0.3174 0.3687 0.095 Uiso 1 1 calc R . .
C83 C 0.2075(5) 0.3656(3) 0.3485(3) 0.068(2) Uani 1 1 d . . .
H83 H 0.2415 0.3519 0.3805 0.082 Uiso 1 1 calc R . .
C84 C 0.5310(4) 0.0058(3) 0.2836(2) 0.0381(14) Uani 1 1 d . . .
C85 C 0.4526(4) -0.0195(3) 0.3006(3) 0.0540(18) Uani 1 1 d . . .
C86 C 0.4724(6) -0.0833(4) 0.2942(5) 0.107(3) Uani 1 1 d U . .
H86A H 0.4240 -0.1005 0.3049 0.161 Uiso 1 1 calc R . .
H86B H 0.5201 -0.1022 0.3181 0.161 Uiso 1 1 calc R . .
H86C H 0.4862 -0.0892 0.2554 0.161 Uiso 1 1 calc R . .
C87 C 0.4299(6) -0.0071(5) 0.3622(3) 0.096(3) Uani 1 1 d U . .
H87A H 0.4283 0.0344 0.3664 0.145 Uiso 1 1 calc R . .
H87B H 0.4721 -0.0316 0.3875 0.145 Uiso 1 1 calc R . .
H87C H 0.3751 -0.0164 0.3710 0.145 Uiso 1 1 calc R . .
C88 C 0.3728(4) 0.0061(3) 0.2677(3) 0.0497(16) Uani 1 1 d . . .
H88A H 0.3833 0.0030 0.2280 0.074 Uiso 1 1 calc R . .
H88B H 0.3544 0.0475 0.2740 0.074 Uiso 1 1 calc R . .
H88C H 0.3293 -0.0157 0.2798 0.074 Uiso 1 1 calc R . .
C89 C 0.5280(3) 0.0435(2) 0.2283(2) 0.0350(13) Uani 1 1 d . . .
H89 H 0.5015 0.0246 0.1998 0.042 Uiso 1 1 calc R . .
C90 C 0.4759(4) 0.1045(3) 0.2331(2) 0.0381(14) Uani 1 1 d . . .
H90 H 0.4915 0.1287 0.2590 0.046 Uiso 1 1 calc R . .
C91 C 0.6133(3) 0.0805(2) 0.1530(2) 0.0333(12) Uani 1 1 d . . .
C92 C 0.5963(4) 0.0533(3) 0.1060(2) 0.0395(14) Uani 1 1 d . . .
C93 C 0.6021(4) 0.0820(3) 0.0532(2) 0.0471(16) Uani 1 1 d . . .
H93 H 0.5894 0.0641 0.0216 0.056 Uiso 1 1 calc R . .
C94 C 0.6255(4) 0.1350(3) 0.0460(2) 0.0535(18) Uani 1 1 d . . .
H94 H 0.6305 0.1533 0.0096 0.064 Uiso 1 1 calc R . .
C95 C 0.6420(4) 0.1618(3) 0.0917(2) 0.0476(16) Uani 1 1 d . . .
H95 H 0.6585 0.1988 0.0865 0.057 Uiso 1 1 calc R . .
C96 C 0.6350(4) 0.1360(3) 0.1458(2) 0.0394(14) Uani 1 1 d . . .
C97 C 0.5704(4) -0.0064(3) 0.1093(2) 0.0494(17) Uani 1 1 d . . .
H97 H 0.5745 -0.0234 0.1490 0.059 Uiso 1 1 calc R . .
C98 C 0.4802(4) 0.0011(4) 0.0901(3) 0.076(3) Uani 1 1 d . . .
H98A H 0.4441 0.0281 0.1128 0.114 Uiso 1 1 calc R . .
H98B H 0.4634 -0.0371 0.0941 0.114 Uiso 1 1 calc R . .
H98C H 0.4750 0.0171 0.0510 0.114 Uiso 1 1 calc R . .
C99 C 0.6252(5) -0.0500(3) 0.0750(3) 0.0586(19) Uani 1 1 d . . .
H99A H 0.6175 -0.0363 0.0355 0.088 Uiso 1 1 calc R . .
H99B H 0.6095 -0.0885 0.0819 0.088 Uiso 1 1 calc R . .
H99C H 0.6838 -0.0535 0.0855 0.088 Uiso 1 1 calc R . .
C100 C 0.6509(4) 0.1708(3) 0.1932(2) 0.0466(16) Uani 1 1 d . . .
H100 H 0.6428 0.1474 0.2289 0.056 Uiso 1 1 calc R . .
C101 C 0.7405(5) 0.1813(3) 0.1925(3) 0.068(2) Uani 1 1 d . . .
H10A H 0.7797 0.1435 0.1955 0.101 Uiso 1 1 calc R . .
H10B H 0.7491 0.2031 0.2239 0.101 Uiso 1 1 calc R . .
H10C H 0.7499 0.2041 0.1576 0.101 Uiso 1 1 calc R . .
C102 C 0.5885(5) 0.2298(3) 0.1912(3) 0.070(2) Uani 1 1 d . . .
H10D H 0.5946 0.2533 0.1562 0.104 Uiso 1 1 calc R . .
H10E H 0.5997 0.2511 0.2224 0.104 Uiso 1 1 calc R . .
H10F H 0.5316 0.2226 0.1939 0.104 Uiso 1 1 calc R . .
C103 C 0.3620(4) 0.1806(3) 0.2033(2) 0.0436(15) Uani 1 1 d . . .
C104 C 0.3501(4) 0.2136(3) 0.1509(3) 0.0529(17) Uani 1 1 d . . .
C105 C 0.2933(5) 0.2667(3) 0.1470(3) 0.067(2) Uani 1 1 d . . .
H105 H 0.2856 0.2905 0.1126 0.081 Uiso 1 1 calc R . .
C106 C 0.2476(5) 0.2855(3) 0.1931(3) 0.076(2) Uani 1 1 d . . .
H106 H 0.2069 0.3209 0.1894 0.091 Uiso 1 1 calc R . .
C107 C 0.2609(4) 0.2534(4) 0.2434(3) 0.070(2) Uani 1 1 d . . .
H107 H 0.2301 0.2673 0.2746 0.084 Uiso 1 1 calc R . .
C108 C 0.3189(4) 0.2004(3) 0.2502(3) 0.0518(17) Uani 1 1 d . . .
C109 C 0.3955(5) 0.1912(3) 0.1004(3) 0.0610(19) Uani 1 1 d . . .
H109 H 0.4482 0.1638 0.1137 0.073 Uiso 1 1 calc R . .
C110 C 0.4200(6) 0.2393(4) 0.0607(3) 0.095(3) Uani 1 1 d . . .
H11A H 0.3697 0.2674 0.0473 0.142 Uiso 1 1 calc R . .
H11B H 0.4498 0.2220 0.0291 0.142 Uiso 1 1 calc R . .
H11C H 0.4563 0.2597 0.0801 0.142 Uiso 1 1 calc R . .
C111 C 0.3423(5) 0.1552(4) 0.0714(3) 0.089(3) Uani 1 1 d . . .
H11D H 0.3299 0.1236 0.0979 0.133 Uiso 1 1 calc R . .
H11E H 0.3731 0.1383 0.0400 0.133 Uiso 1 1 calc R . .
H11F H 0.2900 0.1809 0.0580 0.133 Uiso 1 1 calc R . .
C112 C 0.3316(4) 0.1666(3) 0.3078(3) 0.0511(16) Uani 1 1 d . . .
H112 H 0.3732 0.1295 0.3045 0.061 Uiso 1 1 calc R . .
C113 C 0.2497(5) 0.1500(4) 0.3308(3) 0.081(3) Uani 1 1 d . . .
H11G H 0.2106 0.1856 0.3392 0.122 Uiso 1 1 calc R . .
H11H H 0.2621 0.1232 0.3648 0.122 Uiso 1 1 calc R . .
H11I H 0.2248 0.1307 0.3030 0.122 Uiso 1 1 calc R . .
C114 C 0.3670(5) 0.2021(3) 0.3489(3) 0.064(2) Uani 1 1 d . . .
H11J H 0.4207 0.2101 0.3354 0.096 Uiso 1 1 calc R . .
H11K H 0.3751 0.1794 0.3854 0.096 Uiso 1 1 calc R . .
H11L H 0.3279 0.2392 0.3521 0.096 Uiso 1 1 calc R . .
C115 C 0.8442(3) 0.1500(2) 0.4093(2) 0.0352(13) Uani 1 1 d . . .
H115 H 0.8592 0.1800 0.4286 0.042 Uiso 1 1 calc R . .
C116 C 0.8300(4) 0.1005(2) 0.4366(2) 0.0352(13) Uani 1 1 d . . .
H116 H 0.8350 0.0940 0.4759 0.042 Uiso 1 1 calc R . .
C117 C 0.8207(4) 0.2159(2) 0.3252(2) 0.0344(13) Uani 1 1 d . . .
C118 C 0.8763(4) 0.2336(2) 0.2854(2) 0.0359(13) Uani 1 1 d . . .
C119 C 0.8615(4) 0.2922(3) 0.2633(2) 0.0439(15) Uani 1 1 d . . .
H119 H 0.8986 0.3046 0.2364 0.053 Uiso 1 1 calc R . .
C120 C 0.7946(5) 0.3325(3) 0.2796(3) 0.0588(19) Uani 1 1 d . . .
H120 H 0.7870 0.3725 0.2653 0.071 Uiso 1 1 calc R . .
C121 C 0.7390(5) 0.3143(3) 0.3165(3) 0.0579(18) Uani 1 1 d . . .
H121 H 0.6917 0.3420 0.3264 0.070 Uiso 1 1 calc R . .
C122 C 0.7496(4) 0.2563(2) 0.3400(2) 0.0434(15) Uani 1 1 d . . .
C123 C 0.9525(4) 0.1913(3) 0.2679(3) 0.0472(15) Uani 1 1 d . . .
H123 H 0.9393 0.1511 0.2720 0.057 Uiso 1 1 calc R . .
C124 C 0.9769(6) 0.2043(4) 0.2071(3) 0.088(3) Uani 1 1 d U . .
H12A H 0.9280 0.2076 0.1830 0.131 Uiso 1 1 calc R . .
H12B H 1.0210 0.1723 0.1968 0.131 Uiso 1 1 calc R . .
H12C H 0.9970 0.2413 0.2029 0.131 Uiso 1 1 calc R . .
C125 C 1.0247(5) 0.1910(4) 0.3073(4) 0.090(3) Uani 1 1 d U . .
H12D H 1.0404 0.2295 0.3032 0.134 Uiso 1 1 calc R . .
H12E H 1.0725 0.1608 0.2984 0.134 Uiso 1 1 calc R . .
H12F H 1.0076 0.1823 0.3456 0.134 Uiso 1 1 calc R . .
C126 C 0.6839(4) 0.2391(3) 0.3791(3) 0.0550(18) Uani 1 1 d . . .
H126 H 0.7033 0.1968 0.3929 0.066 Uiso 1 1 calc R . .
C127 C 0.6736(6) 0.2747(4) 0.4300(3) 0.085(3) Uani 1 1 d . . .
H12G H 0.7277 0.2704 0.4487 0.128 Uiso 1 1 calc R . .
H12H H 0.6341 0.2602 0.4559 0.128 Uiso 1 1 calc R . .
H12I H 0.6523 0.3163 0.4179 0.128 Uiso 1 1 calc R . .
C128 C 0.5999(5) 0.2448(4) 0.3502(4) 0.087(3) Uani 1 1 d . . .
H12J H 0.5819 0.2849 0.3327 0.131 Uiso 1 1 calc R . .
H12K H 0.5585 0.2358 0.3775 0.131 Uiso 1 1 calc R . .
H12L H 0.6052 0.2172 0.3216 0.131 Uiso 1 1 calc R . .
C129 C 0.7683(4) 0.0147(2) 0.4341(2) 0.0339(13) Uani 1 1 d . . .
C130 C 0.6905(4) 0.0314(3) 0.4599(2) 0.0380(14) Uani 1 1 d . . .
C131 C 0.6576(4) -0.0117(3) 0.4907(2) 0.0462(15) Uani 1 1 d . . .
H131 H 0.6061 -0.0010 0.5092 0.055 Uiso 1 1 calc R . .
C132 C 0.6983(4) -0.0701(3) 0.4951(2) 0.0491(16) Uani 1 1 d . . .
H132 H 0.6751 -0.0989 0.5170 0.059 Uiso 1 1 calc R . .
C133 C 0.7715(4) -0.0861(3) 0.4680(2) 0.0468(16) Uani 1 1 d . . .
H133 H 0.7980 -0.1264 0.4701 0.056 Uiso 1 1 calc R . .
C134 C 0.8082(4) -0.0445(2) 0.4373(2) 0.0393(14) Uani 1 1 d . . .
C135 C 0.6407(4) 0.0939(3) 0.4543(2) 0.0420(14) Uani 1 1 d . . .
H135 H 0.6684 0.1170 0.4255 0.050 Uiso 1 1 calc R . .
C136 C 0.5507(4) 0.0978(3) 0.4347(3) 0.068(2) Uani 1 1 d . . .
H13A H 0.5511 0.0792 0.4001 0.102 Uiso 1 1 calc R . .
H13B H 0.5228 0.1391 0.4282 0.102 Uiso 1 1 calc R . .
H13C H 0.5207 0.0777 0.4632 0.102 Uiso 1 1 calc R . .
C137 C 0.6407(4) 0.1228(3) 0.5086(3) 0.0568(18) Uani 1 1 d . . .
H13D H 0.6158 0.1003 0.5381 0.085 Uiso 1 1 calc R . .
H13E H 0.6081 0.1630 0.5033 0.085 Uiso 1 1 calc R . .
H13F H 0.6982 0.1237 0.5190 0.085 Uiso 1 1 calc R . .
C138 C 0.8917(4) -0.0633(2) 0.4094(2) 0.0444(15) Uani 1 1 d . . .
H138 H 0.8973 -0.0316 0.3796 0.053 Uiso 1 1 calc R . .
C139 C 0.9633(5) -0.0689(4) 0.4495(3) 0.075(2) Uani 1 1 d . . .
H13G H 0.9626 -0.0308 0.4636 0.113 Uiso 1 1 calc R . .
H13H H 1.0161 -0.0814 0.4305 0.113 Uiso 1 1 calc R . .
H13I H 0.9579 -0.0980 0.4806 0.113 Uiso 1 1 calc R . .
C140 C 0.8973(6) -0.1204(3) 0.3811(3) 0.076(2) Uani 1 1 d . . .
H14A H 0.8910 -0.1524 0.4091 0.114 Uiso 1 1 calc R . .
H14B H 0.9517 -0.1301 0.3633 0.114 Uiso 1 1 calc R . .
H14C H 0.8529 -0.1149 0.3531 0.114 Uiso 1 1 calc R . .
C141 C 0.9758(4) -0.0868(3) 0.1978(2) 0.0421(15) Uani 1 1 d . . .
H14D H 0.9838 -0.1295 0.1946 0.051 Uiso 1 1 calc R . .
H14E H 0.9991 -0.0686 0.1642 0.051 Uiso 1 1 calc R . .
C142 C 1.0232(4) -0.0770(2) 0.2485(2) 0.0366(13) Uani 1 1 d . . .
H14F H 1.0839 -0.0860 0.2413 0.044 Uiso 1 1 calc R . .
H14G H 1.0116 -0.1038 0.2806 0.044 Uiso 1 1 calc R . .
C143 C 0.8391(4) -0.0432(2) 0.1270(2) 0.0376(13) Uani 1 1 d . . .
C144 C 0.8176(3) 0.0134(3) 0.1008(2) 0.0368(13) Uani 1 1 d . . .
H144 H 0.8081 0.0461 0.1222 0.044 Uiso 1 1 calc R . .
C145 C 0.8098(4) 0.0224(3) 0.0429(2) 0.0419(14) Uani 1 1 d . . .
H145 H 0.7957 0.0611 0.0250 0.050 Uiso 1 1 calc R . .
C146 C 0.8227(4) -0.0251(3) 0.0119(2) 0.0459(15) Uani 1 1 d . . .
H146 H 0.8175 -0.0191 -0.0274 0.055 Uiso 1 1 calc R . .
C147 C 0.8431(4) -0.0809(3) 0.0379(2) 0.0472(16) Uani 1 1 d . . .
H147 H 0.8506 -0.1134 0.0163 0.057 Uiso 1 1 calc R . .
C148 C 0.8529(4) -0.0908(3) 0.0945(2) 0.0412(14) Uani 1 1 d . . .
H148 H 0.8690 -0.1298 0.1116 0.049 Uiso 1 1 calc R . .
C149 C 0.8140(5) -0.1171(3) 0.2234(2) 0.0477(16) Uani 1 1 d . . .
C150 C 0.7300(5) -0.1114(3) 0.2139(3) 0.0578(19) Uani 1 1 d . . .
H150 H 0.7001 -0.0757 0.1955 0.069 Uiso 1 1 calc R . .
C151 C 0.6871(6) -0.1559(4) 0.2301(3) 0.080(3) Uani 1 1 d . . .
H151 H 0.6288 -0.1509 0.2236 0.096 Uiso 1 1 calc R . .
C152 C 0.7316(7) -0.2072(5) 0.2558(4) 0.099(3) Uani 1 1 d U . .
H152 H 0.7027 -0.2371 0.2692 0.119 Uiso 1 1 calc R . .
C153 C 0.8170(7) -0.2170(4) 0.2629(4) 0.100(3) Uani 1 1 d U . .
H153 H 0.8473 -0.2543 0.2776 0.120 Uiso 1 1 calc R . .
C154 C 0.8583(6) -0.1703(3) 0.2478(3) 0.087(3) Uani 1 1 d . . .
H154 H 0.9166 -0.1753 0.2543 0.104 Uiso 1 1 calc R . .
C155 C 1.0527(3) 0.0007(2) 0.3272(2) 0.0322(12) Uani 1 1 d . . .
C156 C 1.0331(4) 0.0478(3) 0.3589(2) 0.0395(14) Uani 1 1 d . . .
H156 H 0.9848 0.0774 0.3501 0.047 Uiso 1 1 calc R . .
C157 C 1.0842(4) 0.0519(3) 0.4035(2) 0.0490(16) Uani 1 1 d . . .
H157 H 1.0698 0.0839 0.4256 0.059 Uiso 1 1 calc R . .
C158 C 1.1553(4) 0.0100(3) 0.4161(2) 0.0501(17) Uani 1 1 d . . .
H158 H 1.1908 0.0137 0.4459 0.060 Uiso 1 1 calc R . .
C159 C 1.1744(4) -0.0367(3) 0.3854(2) 0.0502(16) Uani 1 1 d . . .
H159 H 1.2227 -0.0661 0.3945 0.060 Uiso 1 1 calc R . .
C160 C 1.1242(4) -0.0419(3) 0.3410(2) 0.0414(14) Uani 1 1 d . . .
H160 H 1.1386 -0.0746 0.3198 0.050 Uiso 1 1 calc R . .
C161 C 1.0455(3) 0.0399(2) 0.2116(2) 0.0307(12) Uani 1 1 d . . .
C162 C 1.0059(4) 0.0591(2) 0.1605(2) 0.0397(14) Uani 1 1 d . . .
H162 H 0.9508 0.0535 0.1547 0.048 Uiso 1 1 calc R . .
C163 C 1.0461(4) 0.0862(3) 0.1181(2) 0.0454(15) Uani 1 1 d . . .
H163 H 1.0189 0.0979 0.0831 0.054 Uiso 1 1 calc R . .
C164 C 1.1251(4) 0.0963(3) 0.1260(2) 0.0464(15) Uani 1 1 d . . .
H164 H 1.1522 0.1151 0.0967 0.056 Uiso 1 1 calc R . .
C165 C 1.1650(4) 0.0788(2) 0.1774(2) 0.0431(14) Uani 1 1 d . . .
H165 H 1.2191 0.0861 0.1836 0.052 Uiso 1 1 calc R . .
C166 C 1.1248(4) 0.0504(2) 0.2197(2) 0.0380(13) Uani 1 1 d . . .
H166 H 1.1521 0.0382 0.2545 0.046 Uiso 1 1 calc R . .
C167 C 0.0974(11) 0.2560(6) 0.0940(7) 0.078(5) Uiso 0.50 1 d PD . .
H16D H 0.1127 0.2502 0.1335 0.117 Uiso 0.50 1 calc PR . .
H16E H 0.1423 0.2343 0.0726 0.117 Uiso 0.50 1 calc PR . .
H16F H 0.0458 0.2417 0.0887 0.117 Uiso 0.50 1 calc PR . .
C168 C 0.0846(8) 0.3171(5) 0.0752(5) 0.049(3) Uiso 0.50 1 d PD . .
H16G H 0.0708 0.3223 0.0350 0.058 Uiso 0.50 1 calc PR . .
H16H H 0.1374 0.3309 0.0799 0.058 Uiso 0.50 1 calc PR . .
C169 C 0.0192(8) 0.3535(5) 0.1039(5) 0.058(4) Uiso 0.50 1 d PD . .
H16I H -0.0343 0.3418 0.0962 0.070 Uiso 0.50 1 calc PR . .
H16J H 0.0303 0.3450 0.1443 0.070 Uiso 0.50 1 calc PR . .
C170 C 0.0092(11) 0.4157(6) 0.0899(7) 0.090(5) Uiso 0.50 1 d PD . .
H17A H 0.0113 0.4220 0.0488 0.108 Uiso 0.50 1 calc PR . .
H17B H 0.0594 0.4272 0.1042 0.108 Uiso 0.50 1 calc PR . .
C171 C -0.0666(13) 0.4602(8) 0.1080(9) 0.118(7) Uiso 0.50 1 d PD . .
H17C H -0.1188 0.4488 0.0968 0.141 Uiso 0.50 1 calc PR . .
H17D H -0.0662 0.4601 0.1489 0.141 Uiso 0.50 1 calc PR . .
C172 C -0.0635(12) 0.5200(7) 0.0816(8) 0.098(6) Uiso 0.50 1 d PD . .
H17E H -0.0137 0.5322 0.0946 0.147 Uiso 0.50 1 calc PR . .
H17F H -0.1134 0.5477 0.0916 0.147 Uiso 0.50 1 calc PR . .
H17G H -0.0614 0.5195 0.0411 0.147 Uiso 0.50 1 calc PR . .
C173 C -0.1684(9) 0.6027(6) 0.4469(5) 0.062(4) Uiso 0.50 1 d PD . .
H17H H -0.2137 0.5849 0.4632 0.092 Uiso 0.50 1 calc PR . .
H17I H -0.1192 0.5718 0.4423 0.092 Uiso 0.50 1 calc PR . .
H17J H -0.1863 0.6236 0.4106 0.092 Uiso 0.50 1 calc PR . .
C174 C -0.1465(9) 0.6455(6) 0.4851(6) 0.064(4) Uiso 0.50 1 d PD . .
H17K H -0.1263 0.6239 0.5212 0.077 Uiso 0.50 1 calc PR . .
H17L H -0.1006 0.6633 0.4685 0.077 Uiso 0.50 1 calc PR . .
C175 C -0.2184(8) 0.6926(5) 0.4946(5) 0.057(3) Uiso 0.50 1 d PD . .
H17M H -0.2007 0.7153 0.5232 0.069 Uiso 0.50 1 calc PR . .
H17N H -0.2623 0.6731 0.5116 0.069 Uiso 0.50 1 calc PR . .
C176 C -0.2595(8) 0.7360(5) 0.4495(5) 0.050(3) Uiso 0.50 1 d PD . .
H17O H -0.2173 0.7580 0.4337 0.060 Uiso 0.50 1 calc PR . .
H17P H -0.2757 0.7141 0.4198 0.060 Uiso 0.50 1 calc PR . .
C177 C -0.3334(8) 0.7792(6) 0.4633(5) 0.061(4) Uiso 0.50 1 d PD . .
H17Q H -0.3194 0.8015 0.4935 0.073 Uiso 0.50 1 calc PR . .
H17R H -0.3784 0.7586 0.4765 0.073 Uiso 0.50 1 calc PR . .
C178 C -0.3636(9) 0.8214(6) 0.4121(5) 0.064(4) Uiso 0.50 1 d PD . .
H17S H -0.3199 0.8430 0.4001 0.096 Uiso 0.50 1 calc PR . .
H17T H -0.4140 0.8492 0.4213 0.096 Uiso 0.50 1 calc PR . .
H17U H -0.3763 0.7991 0.3821 0.096 Uiso 0.50 1 calc PR . .
C179 C 0.7980(10) -0.2452(7) 0.0652(6) 0.073(4) Uiso 0.50 1 d PD . .
H17V H 0.7862 -0.2704 0.0374 0.109 Uiso 0.50 1 calc PR . .
H17W H 0.8318 -0.2180 0.0486 0.109 Uiso 0.50 1 calc PR . .
H17$ H 0.7454 -0.2229 0.0784 0.109 Uiso 0.50 1 calc PR . .
C180 C 0.8421(12) -0.2805(8) 0.1106(7) 0.107(6) Uiso 0.50 1 d PD . .
H18D H 0.8544 -0.2534 0.1370 0.128 Uiso 0.50 1 calc PR . .
H18E H 0.8964 -0.2998 0.0961 0.128 Uiso 0.50 1 calc PR . .
C181 C 0.8089(10) -0.3252(7) 0.1426(6) 0.078(5) Uiso 0.50 1 d PD . .
H18F H 0.7537 -0.3057 0.1555 0.093 Uiso 0.50 1 calc PR . .
H18G H 0.7978 -0.3524 0.1159 0.093 Uiso 0.50 1 calc PR . .
C182 C 0.8481(12) -0.3611(8) 0.1890(7) 0.105(6) Uiso 0.50 1 d PD . .
H18H H 0.8764 -0.3334 0.2062 0.125 Uiso 0.50 1 calc PR . .
H18I H 0.8935 -0.3873 0.1711 0.125 Uiso 0.50 1 calc PR . .
C183 C 0.8317(17) -0.3992(11) 0.2376(10) 0.164(10) Uiso 0.50 1 d PD . .
H18J H 0.8831 -0.4264 0.2521 0.197 Uiso 0.50 1 calc PR . .
H18K H 0.8047 -0.3766 0.2677 0.197 Uiso 0.50 1 calc PR . .
C184 C 0.7777(14) -0.4282(10) 0.2130(9) 0.121(7) Uiso 0.50 1 d PD . .
H18L H 0.7200 -0.4099 0.2208 0.181 Uiso 0.50 1 calc PR . .
H18M H 0.7885 -0.4695 0.2280 0.181 Uiso 0.50 1 calc PR . .
H18N H 0.7863 -0.4256 0.1727 0.181 Uiso 0.50 1 calc PR . .
C185 C 1.0168(10) 0.2337(7) 0.4772(7) 0.080(5) Uiso 0.50 1 d PD . .
H18O H 1.0408 0.2442 0.5108 0.120 Uiso 0.50 1 calc PR . .
H18P H 1.0616 0.2134 0.4547 0.120 Uiso 0.50 1 calc PR . .
H18Q H 0.9777 0.2078 0.4875 0.120 Uiso 0.50 1 calc PR . .
C186 C 0.9738(11) 0.2856(7) 0.4459(7) 0.089(5) Uiso 0.50 1 d PD . .
H18R H 1.0164 0.3091 0.4346 0.107 Uiso 0.50 1 calc PR . .
H18S H 0.9541 0.2729 0.4113 0.107 Uiso 0.50 1 calc PR . .
C187 C 0.9089(12) 0.3231(8) 0.4649(8) 0.116(7) Uiso 0.50 1 d PD . .
H18T H 0.9322 0.3415 0.4947 0.139 Uiso 0.50 1 calc PR . .
H18U H 0.8725 0.2981 0.4836 0.139 Uiso 0.50 1 calc PR . .
C188 C 0.8512(9) 0.3720(6) 0.4322(6) 0.067(4) Uiso 0.50 1 d PD . .
H18V H 0.8182 0.3550 0.4064 0.081 Uiso 0.50 1 calc PR . .
H18W H 0.8117 0.3932 0.4581 0.081 Uiso 0.50 1 calc PR . .
C189 C 0.8907(10) 0.4125(7) 0.4015(7) 0.086(5) Uiso 0.50 1 d PD . .
H18$ H 0.9295 0.3915 0.3751 0.104 Uiso 0.50 1 calc PR . .
H18 H 0.9242 0.4294 0.4271 0.104 Uiso 0.50 1 calc PR . .
C190 C 0.8328(12) 0.4604(8) 0.3704(8) 0.103(6) Uiso 0.50 1 d PD . .
H19D H 0.7912 0.4443 0.3512 0.154 Uiso 0.50 1 calc PR . .
H19E H 0.8638 0.4813 0.3430 0.154 Uiso 0.50 1 calc PR . .
H19F H 0.8046 0.4877 0.3961 0.154 Uiso 0.50 1 calc PR . .
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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
P2 Pt1 P3 86.76(6) . . ?
P2 Pt1 Ga1 96.19(5) . . ?
P3 Pt1 Ga1 171.30(5) . . ?
P2 Pt1 Ga2 167.83(5) . . ?
P3 Pt1 Ga2 97.58(5) . . ?
Ga1 Pt1 Ga2 77.95(3) . . ?
P5 Pt2 P6 86.87(6) . . ?
P5 Pt2 Ga3 92.74(5) . . ?
P6 Pt2 Ga3 171.08(4) . . ?
P5 Pt2 Ga4 167.41(4) . . ?
P6 Pt2 Ga4 98.51(5) . . ?
Ga3 Pt2 Ga4 80.18(3) . . ?
N1 Ga1 P1 93.65(15) . . ?
N1 Ga1 Pt1 134.76(15) . . ?
P1 Ga1 Pt1 130.47(5) . . ?
N3 Ga2 N4 88.3(3) . . ?
N3 Ga2 Pt1 140.9(2) . . ?
N4 Ga2 Pt1 125.82(16) . . ?
N5 Ga3 P4 93.76(13) . . ?
N5 Ga3 Pt2 134.76(13) . . ?
P4 Ga3 Pt2 130.03(5) . . ?
N8 Ga4 N7 87.98(18) . . ?
N8 Ga4 Pt2 124.06(13) . . ?
N7 Ga4 Pt2 141.46(13) . . ?
C1 P1 Ga1 92.3(2) . . ?
C66 P2 C60 103.7(3) . . ?
C66 P2 C58 98.7(3) . . ?
C60 P2 C58 105.9(3) . . ?
C66 P2 Pt1 124.7(2) . . ?
C60 P2 Pt1 114.3(2) . . ?
C58 P2 Pt1 107.1(2) . . ?
C78 P3 C72 104.8(3) . . ?
C78 P3 C59 101.5(3) . . ?
C72 P3 C59 103.1(3) . . ?
C78 P3 Pt1 114.6(2) . . ?
C72 P3 Pt1 124.7(2) . . ?
C59 P3 Pt1 105.2(2) . . ?
C84 P4 Ga3 91.9(2) . . ?
C149 P5 C143 102.8(3) . . ?
C149 P5 C141 106.0(3) . . ?
C143 P5 C141 99.6(3) . . ?
C149 P5 Pt2 116.8(2) . . ?
C143 P5 Pt2 122.03(19) . . ?
C141 P5 Pt2 107.36(18) . . ?
C155 P6 C161 102.4(2) . . ?
C155 P6 C142 102.8(2) . . ?
C161 P6 C142 103.0(2) . . ?
C155 P6 Pt2 126.85(18) . . ?
C161 P6 Pt2 114.96(17) . . ?
C142 P6 Pt2 103.89(19) . . ?
C8 N1 C6 116.1(4) . . ?
C8 N1 Ga1 128.5(4) . . ?
C6 N1 Ga1 115.4(3) . . ?
C7 N2 C20 123.8(5) . . ?
C32 N3 C34 115.3(6) . . ?
C32 N3 Ga2 108.1(5) . . ?
C34 N3 Ga2 132.7(4) . . ?
C33 N4 C46 119.0(6) . . ?
C33 N4 Ga2 106.9(5) . . ?
C46 N4 Ga2 132.5(4) . . ?
C91 N5 C89 116.0(4) . . ?
C91 N5 Ga3 128.1(3) . . ?
C89 N5 Ga3 115.7(3) . . ?
C90 N6 C103 123.1(5) . . ?
C115 N7 C117 115.6(4) . . ?
C115 N7 Ga4 107.3(3) . . ?
C117 N7 Ga4 133.7(3) . . ?
C116 N8 C129 117.9(4) . . ?
C116 N8 Ga4 108.3(3) . . ?
C129 N8 Ga4 132.1(3) . . ?
C6 C1 C2 116.9(5) . . ?
C6 C1 P1 123.6(5) . . ?
C2 C1 P1 119.0(4) . . ?
C4 C2 C5 107.9(6) . . ?
C4 C2 C1 114.7(5) . . ?
C5 C2 C1 111.4(5) . . ?
C4 C2 C3 106.1(6) . . ?
C5 C2 C3 109.9(6) . . ?
C1 C2 C3 106.6(5) . . ?
N1 C6 C7 105.6(4) . . ?
N1 C6 C1 113.4(4) . . ?
C7 C6 C1 114.5(4) . . ?
N2 C7 C6 120.2(5) . . ?
C9 C8 C13 120.3(6) . . ?
C9 C8 N1 120.6(5) . . ?
C13 C8 N1 119.1(5) . . ?
C10 C9 C8 117.9(6) . . ?
C10 C9 C14 118.1(6) . . ?
C8 C9 C14 124.0(6) . . ?
C11 C10 C9 122.7(7) . . ?
C12 C11 C10 118.9(6) . . ?
C11 C12 C13 122.0(6) . . ?
C12 C13 C8 118.1(6) . . ?
C12 C13 C17 118.8(5) . . ?
C8 C13 C17 123.1(5) . . ?
C15 C14 C9 111.9(6) . . ?
C15 C14 C16 110.6(6) . . ?
C9 C14 C16 111.1(5) . . ?
C13 C17 C18 112.3(5) . . ?
C13 C17 C19 111.2(5) . . ?
C18 C17 C19 110.2(5) . . ?
C25 C20 C21 120.1(5) . . ?
C25 C20 N2 122.8(5) . . ?
C21 C20 N2 116.6(5) . . ?
C22 C21 C20 119.1(5) . . ?
C22 C21 C26 119.9(5) . . ?
C20 C21 C26 121.0(5) . . ?
C21 C22 C23 121.7(6) . . ?
C24 C23 C22 118.7(6) . . ?
C23 C24 C25 122.1(6) . . ?
C24 C25 C20 118.2(5) . . ?
C24 C25 C29 118.8(5) . . ?
C20 C25 C29 123.0(5) . . ?
C27 C26 C21 113.3(5) . . ?
C27 C26 C28 111.2(5) . . ?
C21 C26 C28 110.1(5) . . ?
C25 C29 C31 111.3(5) . . ?
C25 C29 C30 112.4(5) . . ?
C31 C29 C30 110.6(5) . . ?
C33 C32 N3 117.7(6) . . ?
C32 C33 N4 118.4(7) . . ?
C39 C34 C35 121.0(8) . . ?
C39 C34 N3 118.7(7) . . ?
C35 C34 N3 120.3(9) . . ?
C36 C35 C34 116.9(11) . . ?
C36 C35 C40 120.8(9) . . ?
C34 C35 C40 122.3(8) . . ?
C37 C36 C35 122.5(10) . . ?
C36 C37 C38 122.0(10) . . ?
C37 C38 C39 117.8(11) . . ?
C34 C39 C38 119.8(8) . . ?
C34 C39 C43 122.3(8) . . ?
C38 C39 C43 117.8(10) . . ?
C35 C40 C42 112.5(9) . . ?
C35 C40 C41 109.9(9) . . ?
C42 C40 C41 111.6(9) . . ?
C44 C43 C39 114.4(8) . . ?
C44 C43 C45 111.1(8) . . ?
C39 C43 C45 109.1(6) . . ?
C51 C46 C47 119.7(7) . . ?
C51 C46 N4 119.9(6) . . ?
C47 C46 N4 120.3(6) . . ?
C48 C47 C46 118.8(7) . . ?
C48 C47 C52 119.7(7) . . ?
C46 C47 C52 121.5(8) . . ?
C49 C48 C47 122.4(7) . . ?
C48 C49 C50 118.0(8) . . ?
C51 C50 C49 121.8(7) . . ?
C50 C51 C46 119.2(7) . . ?
C50 C51 C55 118.9(6) . . ?
C46 C51 C55 121.8(7) . . ?
C47 C52 C54 112.1(6) . . ?
C47 C52 C53 112.2(6) . . ?
C54 C52 C53 108.3(6) . . ?
C57 C55 C51 111.6(6) . . ?
C57 C55 C56 110.5(6) . . ?
C51 C55 C56 110.9(6) . . ?
C59 C58 P2 112.4(4) . . ?
C58 C59 P3 108.6(4) . . ?
C61 C60 C65 118.9(7) . . ?
C61 C60 P2 118.6(5) . . ?
C65 C60 P2 122.6(6) . . ?
C62 C61 C60 120.8(7) . . ?
C61 C62 C63 119.0(8) . . ?
C64 C63 C62 120.0(8) . . ?
C63 C64 C65 120.7(8) . . ?
C64 C65 C60 120.6(8) . . ?
C67 C66 C71 119.7(6) . . ?
C67 C66 P2 120.5(5) . . ?
C71 C66 P2 119.3(5) . . ?
C66 C67 C68 119.3(6) . . ?
C69 C68 C67 120.5(7) . . ?
C68 C69 C70 120.3(7) . . ?
C71 C70 C69 120.0(7) . . ?
C70 C71 C66 120.2(7) . . ?
C77 C72 C73 118.7(6) . . ?
C77 C72 P3 119.7(5) . . ?
C73 C72 P3 121.6(5) . . ?
C74 C73 C72 120.6(6) . . ?
C73 C74 C75 120.1(7) . . ?
C76 C75 C74 119.8(7) . . ?
C75 C76 C77 120.0(7) . . ?
C72 C77 C76 120.9(6) . . ?
C83 C78 C79 118.4(7) . . ?
C83 C78 P3 121.8(6) . . ?
C79 C78 P3 119.8(5) . . ?
C80 C79 C78 120.8(7) . . ?
C79 C80 C81 119.6(8) . . ?
C82 C81 C80 119.3(9) . . ?
C81 C82 C83 122.0(8) . . ?
C82 C83 C78 119.8(8) . . ?
C89 C84 C85 117.7(5) . . ?
C89 C84 P4 124.0(4) . . ?
C85 C84 P4 118.3(4) . . ?
C86 C85 C88 107.0(6) . . ?
C86 C85 C84 107.6(6) . . ?
C88 C85 C84 116.9(5) . . ?
C86 C85 C87 111.9(7) . . ?
C88 C85 C87 104.5(6) . . ?
C84 C85 C87 109.0(5) . . ?
N5 C89 C90 107.2(4) . . ?
N5 C89 C84 113.3(4) . . ?
C90 C89 C84 110.5(4) . . ?
N6 C90 C89 120.0(5) . . ?
C96 C91 C92 119.5(5) . . ?
C96 C91 N5 119.8(5) . . ?
C92 C91 N5 120.6(5) . . ?
C93 C92 C91 119.0(5) . . ?
C93 C92 C97 117.2(5) . . ?
C91 C92 C97 123.8(5) . . ?
C94 C93 C92 121.6(6) . . ?
C93 C94 C95 119.5(6) . . ?
C94 C95 C96 121.5(6) . . ?
C95 C96 C91 118.7(5) . . ?
C95 C96 C100 117.0(5) . . ?
C91 C96 C100 124.2(5) . . ?
C99 C97 C98 108.8(5) . . ?
C99 C97 C92 113.4(5) . . ?
C98 C97 C92 110.2(6) . . ?
C96 C100 C101 111.4(6) . . ?
C96 C100 C102 111.2(5) . . ?
C101 C100 C102 110.0(6) . . ?
C108 C103 C104 121.7(6) . . ?
C108 C103 N6 123.0(6) . . ?
C104 C103 N6 114.7(5) . . ?
C105 C104 C103 117.8(6) . . ?
C105 C104 C109 121.0(6) . . ?
C103 C104 C109 121.2(6) . . ?
C104 C105 C106 120.7(7) . . ?
C107 C106 C105 120.4(7) . . ?
C106 C107 C108 121.4(7) . . ?
C103 C108 C107 117.8(6) . . ?
C103 C108 C112 123.2(6) . . ?
C107 C108 C112 119.0(6) . . ?
C104 C109 C110 113.4(7) . . ?
C104 C109 C111 109.0(6) . . ?
C110 C109 C111 111.9(6) . . ?
C108 C112 C114 111.0(6) . . ?
C108 C112 C113 112.0(6) . . ?
C114 C112 C113 109.9(6) . . ?
C116 C115 N7 118.0(5) . . ?
C115 C116 N8 117.8(5) . . ?
C118 C117 C122 120.1(5) . . ?
C118 C117 N7 119.9(5) . . ?
C122 C117 N7 120.0(5) . . ?
C119 C118 C117 118.5(5) . . ?
C119 C118 C123 119.8(5) . . ?
C117 C118 C123 121.6(5) . . ?
C120 C119 C118 121.6(6) . . ?
C121 C120 C119 119.4(6) . . ?
C120 C121 C122 122.0(6) . . ?
C121 C122 C117 118.2(6) . . ?
C121 C122 C126 119.0(6) . . ?
C117 C122 C126 122.8(5) . . ?
C118 C123 C125 109.1(6) . . ?
C118 C123 C124 113.5(5) . . ?
C125 C123 C124 111.1(7) . . ?
C122 C126 C128 112.4(6) . . ?
C122 C126 C127 111.6(6) . . ?
C128 C126 C127 110.0(6) . . ?
C134 C129 C130 120.3(5) . . ?
C134 C129 N8 119.9(5) . . ?
C130 C129 N8 119.8(5) . . ?
C131 C130 C129 118.2(6) . . ?
C131 C130 C135 118.7(5) . . ?
C129 C130 C135 123.1(5) . . ?
C130 C131 C132 121.5(6) . . ?
C133 C132 C131 119.8(6) . . ?
C132 C133 C134 121.2(6) . . ?
C133 C134 C129 119.0(6) . . ?
C133 C134 C138 120.0(5) . . ?
C129 C134 C138 121.0(5) . . ?
C130 C135 C136 112.6(5) . . ?
C130 C135 C137 111.8(5) . . ?
C136 C135 C137 109.8(5) . . ?
C139 C138 C134 111.4(5) . . ?
C139 C138 C140 110.6(6) . . ?
C134 C138 C140 112.8(6) . . ?
C142 C141 P5 112.6(4) . . ?
C141 C142 P6 110.3(4) . . ?
C144 C143 C148 119.0(5) . . ?
C144 C143 P5 121.0(4) . . ?
C148 C143 P5 119.5(4) . . ?
C143 C144 C145 120.0(5) . . ?
C146 C145 C144 120.0(5) . . ?
C147 C146 C145 119.8(5) . . ?
C148 C147 C146 121.4(6) . . ?
C147 C148 C143 119.8(6) . . ?
C150 C149 C154 118.7(6) . . ?
C150 C149 P5 118.7(5) . . ?
C154 C149 P5 122.5(6) . . ?
C149 C150 C151 122.4(8) . . ?
C152 C151 C150 117.7(9) . . ?
C151 C152 C153 122.4(9) . . ?
C152 C153 C154 118.4(9) . . ?
C149 C154 C153 120.1(9) . . ?
C156 C155 C160 118.7(5) . . ?
C156 C155 P6 119.6(4) . . ?
C160 C155 P6 121.4(4) . . ?
C155 C156 C157 120.0(6) . . ?
C158 C157 C156 120.7(6) . . ?
C159 C158 C157 119.4(5) . . ?
C158 C159 C160 120.9(6) . . ?
C159 C160 C155 120.2(6) . . ?
C166 C161 C162 118.6(5) . . ?
C166 C161 P6 122.7(4) . . ?
C162 C161 P6 118.7(4) . . ?
C163 C162 C161 120.6(5) . . ?
C164 C163 C162 120.8(5) . . ?
C163 C164 C165 119.4(6) . . ?
C166 C165 C164 119.5(6) . . ?
C161 C166 C165 121.0(5) . . ?
C167 C168 C169 114.1(12) . . ?
C170 C169 C168 115.9(12) . . ?
C169 C170 C171 122.9(14) . . ?
C172 C171 C170 109.9(15) . . ?
C175 C174 C173 112.2(12) . . ?
C174 C175 C176 122.9(12) . . ?
C177 C176 C175 118.2(11) . . ?
C176 C177 C178 109.9(11) . . ?
C179 C180 C181 122.3(16) . . ?
C182 C181 C180 125.5(16) . . ?
C181 C182 C183 143(2) . . ?
C184 C183 C182 98.4(19) . . ?
C187 C186 C185 124.2(16) . . ?
C186 C187 C188 127.4(18) . . ?
C189 C188 C187 114.8(15) . . ?
C188 C189 C190 113.7(15) . . ?
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
Pt1 P2 2.2806(17) . ?
Pt1 P3 2.3169(17) . ?
Pt1 Ga1 2.4064(10) . ?
Pt1 Ga2 2.4258(10) . ?
Pt2 P5 2.2795(15) . ?
Pt2 P6 2.3206(15) . ?
Pt2 Ga3 2.4114(8) . ?
Pt2 Ga4 2.4217(9) . ?
Ga1 N1 1.873(4) . ?
Ga1 P1 2.319(2) . ?
Ga2 N3 1.898(5) . ?
Ga2 N4 1.902(6) . ?
Ga3 N5 1.868(4) . ?
Ga3 P4 2.3207(17) . ?
Ga4 N8 1.906(4) . ?
Ga4 N7 1.907(4) . ?
P1 C1 1.701(6) . ?
P2 C66 1.829(6) . ?
P2 C60 1.830(7) . ?
P2 C58 1.838(6) . ?
P3 C78 1.817(8) . ?
P3 C72 1.829(6) . ?
P3 C59 1.858(6) . ?
P4 C84 1.698(6) . ?
P5 C149 1.816(6) . ?
P5 C143 1.819(5) . ?
P5 C141 1.838(6) . ?
P6 C155 1.822(5) . ?
P6 C161 1.839(5) . ?
P6 C142 1.841(5) . ?
N1 C8 1.426(7) . ?
N1 C6 1.481(7) . ?
N2 C7 1.261(6) . ?
N2 C20 1.428(7) . ?
N3 C32 1.398(9) . ?
N3 C34 1.435(9) . ?
N4 C33 1.414(8) . ?
N4 C46 1.423(9) . ?
N5 C91 1.448(6) . ?
N5 C89 1.473(7) . ?
N6 C90 1.267(7) . ?
N6 C103 1.424(7) . ?
N7 C115 1.414(6) . ?
N7 C117 1.437(6) . ?
N8 C116 1.390(6) . ?
N8 C129 1.437(7) . ?
C1 C6 1.525(8) . ?
C1 C2 1.544(8) . ?
C2 C4 1.517(9) . ?
C2 C5 1.524(9) . ?
C2 C3 1.556(9) . ?
C6 C7 1.516(7) . ?
C8 C9 1.404(8) . ?
C8 C13 1.425(8) . ?
C9 C10 1.399(9) . ?
C9 C14 1.524(9) . ?
C10 C11 1.377(9) . ?
C11 C12 1.369(9) . ?
C12 C13 1.403(8) . ?
C13 C17 1.523(8) . ?
C14 C15 1.515(9) . ?
C14 C16 1.539(9) . ?
C17 C18 1.525(8) . ?
C17 C19 1.547(8) . ?
C20 C25 1.408(7) . ?
C20 C21 1.411(8) . ?
C21 C22 1.379(8) . ?
C21 C26 1.525(8) . ?
C22 C23 1.387(8) . ?
C23 C24 1.380(9) . ?
C24 C25 1.393(8) . ?
C25 C29 1.515(8) . ?
C26 C27 1.520(8) . ?
C26 C28 1.531(8) . ?
C29 C31 1.517(8) . ?
C29 C30 1.531(8) . ?
C32 C33 1.322(10) . ?
C34 C39 1.389(12) . ?
C34 C35 1.408(11) . ?
C35 C36 1.400(13) . ?
C35 C40 1.503(13) . ?
C36 C37 1.322(14) . ?
C37 C38 1.397(13) . ?
C38 C39 1.408(11) . ?
C39 C43 1.534(11) . ?
C40 C42 1.530(13) . ?
C40 C41 1.534(12) . ?
C43 C44 1.521(12) . ?
C43 C45 1.536(11) . ?
C46 C51 1.401(9) . ?
C46 C47 1.405(9) . ?
C47 C48 1.386(10) . ?
C47 C52 1.517(9) . ?
C48 C49 1.370(10) . ?
C49 C50 1.398(10) . ?
C50 C51 1.377(10) . ?
C51 C55 1.530(9) . ?
C52 C54 1.543(9) . ?
C52 C53 1.547(9) . ?
C55 C57 1.520(9) . ?
C55 C56 1.535(10) . ?
C58 C59 1.521(8) . ?
C60 C61 1.383(9) . ?
C60 C65 1.397(9) . ?
C61 C62 1.383(10) . ?
C62 C63 1.413(11) . ?
C63 C64 1.360(11) . ?
C64 C65 1.372(11) . ?
C66 C67 1.380(9) . ?
C66 C71 1.396(8) . ?
C67 C68 1.401(9) . ?
C68 C69 1.365(10) . ?
C69 C70 1.380(10) . ?
C70 C71 1.375(9) . ?
C72 C77 1.387(8) . ?
C72 C73 1.398(8) . ?
C73 C74 1.382(9) . ?
C74 C75 1.394(10) . ?
C75 C76 1.378(10) . ?
C76 C77 1.393(9) . ?
C78 C83 1.387(9) . ?
C78 C79 1.400(10) . ?
C79 C80 1.374(10) . ?
C80 C81 1.389(11) . ?
C81 C82 1.359(12) . ?
C82 C83 1.370(11) . ?
C84 C89 1.525(7) . ?
C84 C85 1.551(8) . ?
C85 C86 1.483(11) . ?
C85 C88 1.521(8) . ?
C85 C87 1.570(10) . ?
C89 C90 1.523(8) . ?
C91 C96 1.405(8) . ?
C91 C92 1.411(7) . ?
C92 C93 1.395(8) . ?
C92 C97 1.530(8) . ?
C93 C94 1.362(9) . ?
C94 C95 1.379(9) . ?
C95 C96 1.398(8) . ?
C96 C100 1.521(8) . ?
C97 C99 1.521(9) . ?
C97 C98 1.523(9) . ?
C100 C101 1.533(9) . ?
C100 C102 1.538(9) . ?
C103 C108 1.398(8) . ?
C103 C104 1.411(8) . ?
C104 C105 1.390(9) . ?
C104 C109 1.507(9) . ?
C105 C106 1.392(10) . ?
C106 C107 1.361(10) . ?
C107 C108 1.399(9) . ?
C108 C112 1.526(9) . ?
C109 C110 1.520(10) . ?
C109 C111 1.540(10) . ?
C112 C114 1.540(8) . ?
C112 C113 1.550(9) . ?
C115 C116 1.336(7) . ?
C117 C118 1.405(8) . ?
C117 C122 1.412(8) . ?
C118 C119 1.396(8) . ?
C118 C123 1.514(8) . ?
C119 C120 1.375(9) . ?
C120 C121 1.366(9) . ?
C121 C122 1.395(8) . ?
C122 C126 1.512(9) . ?
C123 C125 1.523(10) . ?
C123 C124 1.536(9) . ?
C126 C128 1.524(10) . ?
C126 C127 1.543(10) . ?
C129 C134 1.402(8) . ?
C129 C130 1.413(8) . ?
C130 C131 1.386(8) . ?
C130 C135 1.517(8) . ?
C131 C132 1.389(9) . ?
C132 C133 1.363(9) . ?
C133 C134 1.394(8) . ?
C134 C138 1.520(8) . ?
C135 C136 1.533(8) . ?
C135 C137 1.534(8) . ?
C138 C139 1.507(9) . ?
C138 C140 1.542(9) . ?
C141 C142 1.515(7) . ?
C143 C144 1.389(8) . ?
C143 C148 1.405(8) . ?
C144 C145 1.399(7) . ?
C145 C146 1.379(8) . ?
C146 C147 1.371(8) . ?
C147 C148 1.371(8) . ?
C149 C150 1.373(9) . ?
C149 C154 1.385(10) . ?
C150 C151 1.392(9) . ?
C151 C152 1.365(12) . ?
C152 C153 1.379(13) . ?
C153 C154 1.411(11) . ?
C155 C156 1.386(7) . ?
C155 C160 1.395(8) . ?
C156 C157 1.394(7) . ?
C157 C158 1.379(9) . ?
C158 C159 1.363(9) . ?
C159 C160 1.388(8) . ?
C161 C166 1.386(7) . ?
C161 C162 1.392(7) . ?
C162 C163 1.382(8) . ?
C163 C164 1.378(8) . ?
C164 C165 1.397(8) . ?
C165 C166 1.394(8) . ?
C167 C168 1.430(14) . ?
C168 C169 1.444(13) . ?
C169 C170 1.437(14) . ?
C170 C171 1.541(16) . ?
C171 C172 1.489(16) . ?
C173 C174 1.521(14) . ?
C174 C175 1.475(14) . ?
C175 C176 1.482(13) . ?
C176 C177 1.470(13) . ?
C177 C178 1.526(14) . ?
C179 C180 1.416(15) . ?
C180 C181 1.430(15) . ?
C181 C182 1.411(15) . ?
C182 C183 1.460(17) . ?
C183 C184 1.386(17) . ?
C185 C186 1.425(15) . ?
C186 C187 1.343(15) . ?
C187 C188 1.493(15) . ?
C188 C189 1.400(14) . ?
C189 C190 1.464(15) . ?
