#------------------------------------------------------------------------------
#$Date: 2018-09-01 14:55:45 +0300 (Sat, 01 Sep 2018) $
#$Revision: 210296 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/43/4314326.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_4314326
loop_
_publ_author_name
'Umakoshi, Keisuke'
'Yamauchi, Yoko'
'Nakamiya, Keiko'
'Kojima, Takashi'
'Yamasaki, Mikio'
'Kawano, Hiroyuki'
'Onishi, Masayoshi'
_publ_section_title
;
 Pyrazolato-Bridged Polynuclear Palladium and Platinum Complexes.
 Synthesis, Structure, and Reactivity
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   20
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6584
_journal_page_last               6584
_journal_paper_doi               10.1021/ic030215k
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C24 H24 Ag4 N16 Pt2 '
_chemical_formula_sum            'C24 H24 Ag4 N16 Pt2'
_chemical_formula_weight         1358.21
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.084(3)
_cell_angle_beta                 105.806(1)
_cell_angle_gamma                113.7264(8)
_cell_formula_units_Z            2
_cell_length_a                   12.4172(7)
_cell_length_b                   12.5091(9)
_cell_length_c                   13.921(1)
_cell_measurement_reflns_used    9463
_cell_measurement_temperature    295.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1846.8(2)
_computing_cell_refinement       D*TREK
_computing_data_collection       D*TREK
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9234
_diffrn_measured_fraction_theta_max 0.9234
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15728
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_exptl_absorpt_coefficient_mu    9.629
_exptl_absorpt_correction_T_max  0.382
_exptl_absorpt_correction_T_min  0.136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.78
_refine_diff_density_min         -2.09
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.660
_refine_ls_hydrogen_treatment    'H atoms riding with U(H) = 1.2Ueq(C)'
_refine_ls_number_parameters     415
_refine_ls_number_reflns         7838
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²) + (0.05000(Max(Fo²,0) + 2Fc²)/3)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1243
_reflns_number_gt                6781
_reflns_number_total             7838
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic030215k_1.cif
_cod_data_source_block           (Pt2Ag4(pz)8)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C24 H24 Ag4 N16 Pt2 '
_cod_database_code               4314326
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.10223(3) 0.17906(2) 0.42291(2) 0.03271(8) Uani 1.00 d . . .
Pt2 Pt 0.10225(2) 0.40606(2) 0.13326(2) 0.03129(7) Uani 1.00 d . . .
Ag1 Ag 0.09774(6) 0.45329(5) 0.38705(4) 0.0429(2) Uani 1.00 d . . .
Ag2 Ag -0.12168(6) 0.19221(6) 0.20786(5) 0.0478(2) Uani 1.00 d . . .
Ag3 Ag 0.10649(6) 0.13465(5) 0.16777(4) 0.0437(2) Uani 1.00 d . . .
Ag4 Ag 0.32333(6) 0.38351(5) 0.34086(4) 0.0409(1) Uani 1.00 d . . .
N11 N 0.2231(6) 0.3349(5) 0.5285(4) 0.034(1) Uani 1.00 d . . .
N12 N 0.2208(6) 0.4405(5) 0.5168(5) 0.039(2) Uani 1.00 d . . .
N21 N -0.0433(7) 0.2033(5) 0.4370(5) 0.040(2) Uani 1.00 d . . .
N22 N -0.1340(7) 0.1982(6) 0.3548(5) 0.048(2) Uani 1.00 d . . .
N31 N -0.0166(6) 0.0237(5) 0.3189(4) 0.035(1) Uani 1.00 d . . .
N32 N -0.0196(7) 0.0045(5) 0.2199(5) 0.043(2) Uani 1.00 d . . .
N41 N 0.2487(6) 0.1523(5) 0.4096(5) 0.039(2) Uani 1.00 d . . .
N42 N 0.3290(6) 0.2234(5) 0.3696(5) 0.041(2) Uani 1.00 d . . .
N51 N -0.0248(6) 0.4520(5) 0.1643(4) 0.037(2) Uani 1.00 d . . .
N52 N -0.0247(7) 0.4770(6) 0.2625(5) 0.043(2) Uani 1.00 d . . .
N61 N -0.0370(6) 0.2598(6) 0.0291(4) 0.039(2) Uani 1.00 d . . .
N62 N -0.1282(7) 0.1764(6) 0.0547(5) 0.048(2) Uani 1.00 d . . .
N71 N 0.2302(6) 0.3628(5) 0.1005(4) 0.037(2) Uani 1.00 d . . .
N72 N 0.2331(7) 0.2574(5) 0.1108(5) 0.040(2) Uani 1.00 d . . .
N81 N 0.2421(6) 0.5549(5) 0.2368(4) 0.036(1) Uani 1.00 d . . .
N82 N 0.3308(6) 0.5475(5) 0.3151(5) 0.039(2) Uani 1.00 d . . .
C13 C 0.3171(9) 0.5280(8) 0.5961(7) 0.056(2) Uani 1.00 d . . .
C14 C 0.3803(8) 0.4802(8) 0.6603(6) 0.050(2) Uani 1.00 d . . .
C15 C 0.3153(8) 0.3569(8) 0.6131(6) 0.048(2) Uani 1.00 d . . .
C23 C -0.2164(9) 0.2208(9) 0.3917(8) 0.058(3) Uani 1.00 d . . .
C24 C -0.175(1) 0.2426(9) 0.4974(9) 0.065(3) Uani 1.00 d . . .
C25 C -0.0654(9) 0.2311(7) 0.5220(6) 0.049(2) Uani 1.00 d . . .
C33 C -0.1087(9) -0.1065(7) 0.1708(6) 0.051(2) Uani 1.00 d . . .
C34 C -0.1643(10) -0.1621(8) 0.2358(7) 0.058(2) Uani 1.00 d . . .
C35 C -0.1034(9) -0.0763(7) 0.3294(7) 0.049(2) Uani 1.00 d . . .
C43 C 0.4041(9) 0.1771(8) 0.3617(7) 0.054(2) Uani 1.00 d . . .
C44 C 0.3729(10) 0.0709(8) 0.3945(9) 0.059(3) Uani 1.00 d . . .
C45 C 0.2748(10) 0.0607(7) 0.4238(8) 0.057(3) Uani 1.00 d . . .
C53 C -0.1165(10) 0.5040(8) 0.2578(7) 0.055(3) Uani 1.00 d . . .
C54 C -0.179(1) 0.5001(10) 0.1582(8) 0.062(3) Uani 1.00 d . . .
C55 C -0.1160(8) 0.4663(8) 0.1018(6) 0.047(2) Uani 1.00 d . . .
C63 C -0.2048(9) 0.0890(7) -0.0306(7) 0.055(2) Uani 1.00 d . . .
C64 C -0.162(1) 0.1148(9) -0.1113(7) 0.061(3) Uani 1.00 d . . .
C65 C -0.0608(9) 0.2225(8) -0.0726(6) 0.049(2) Uani 1.00 d . . .
C73 C 0.3334(8) 0.2611(7) 0.0930(6) 0.046(2) Uani 1.00 d . . .
C74 C 0.3935(9) 0.3678(9) 0.0678(7) 0.053(2) Uani 1.00 d . . .
C75 C 0.3272(8) 0.4290(7) 0.0746(6) 0.046(2) Uani 1.00 d . . .
C83 C 0.4083(8) 0.6617(7) 0.3751(6) 0.047(2) Uani 1.00 d . . .
C84 C 0.3657(10) 0.7391(7) 0.3332(8) 0.057(3) Uani 1.00 d . . .
C85 C 0.2637(9) 0.6690(7) 0.2483(7) 0.051(2) Uani 1.00 d . . .
H13 H 0.3383 0.6122 0.6061 0.0672 Uiso 1.00 calc . . .
H14 H 0.4526 0.5221 0.7220 0.0598 Uiso 1.00 calc . . .
H15 H 0.3349 0.2957 0.6385 0.0574 Uiso 1.00 calc . . .
H23 H -0.2922 0.2208 0.3493 0.0702 Uiso 1.00 calc . . .
H24 H -0.2123 0.2622 0.5435 0.0773 Uiso 1.00 calc . . .
H25 H -0.0131 0.2413 0.5906 0.0593 Uiso 1.00 calc . . .
H33 H -0.1311 -0.1425 0.1001 0.0607 Uiso 1.00 calc . . .
H34 H -0.2305 -0.2417 0.2203 0.0684 Uiso 1.00 calc . . .
H35 H -0.1195 -0.0869 0.3919 0.0592 Uiso 1.00 calc . . .
H43 H 0.4723 0.2116 0.3369 0.0659 Uiso 1.00 calc . . .
H44 H 0.4112 0.0186 0.3960 0.0697 Uiso 1.00 calc . . .
H45 H 0.2317 -0.0020 0.4524 0.0688 Uiso 1.00 calc . . .
H53 H -0.1377 0.5236 0.3160 0.0654 Uiso 1.00 calc . . .
H54 H -0.2507 0.5161 0.1332 0.0745 Uiso 1.00 calc . . .
H55 H -0.1353 0.4553 0.0295 0.0569 Uiso 1.00 calc . . .
H63 H -0.2786 0.0191 -0.0356 0.0662 Uiso 1.00 calc . . .
H64 H -0.1972 0.0656 -0.1796 0.0714 Uiso 1.00 calc . . .
H65 H -0.0125 0.2662 -0.1110 0.0613 Uiso 1.00 calc . . .
H73 H 0.3600 0.1997 0.0964 0.0550 Uiso 1.00 calc . . .
H74 H 0.4674 0.3924 0.0501 0.0630 Uiso 1.00 calc . . .
H75 H 0.3470 0.5080 0.0639 0.0565 Uiso 1.00 calc . . .
H83 H 0.4799 0.6842 0.4357 0.0565 Uiso 1.00 calc . . .
H84 H 0.4018 0.8243 0.3588 0.0678 Uiso 1.00 calc . . .
H85 H 0.2138 0.6975 0.2033 0.0621 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ag Ag -0.897 1.101
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N11 PT1 N21 90.6(2) . . . yes
N11 PT1 N31 179.4(2) . . . yes
N11 PT1 N41 89.7(2) . . . yes
N21 PT1 N31 89.8(2) . . . yes
N21 PT1 N41 179.1(2) . . . yes
N31 PT1 N41 89.8(2) . . . yes
N51 PT2 N61 89.4(3) . . . yes
N51 PT2 N71 178.8(2) . . . yes
N51 PT2 N81 90.3(2) . . . yes
N61 PT2 N71 90.9(3) . . . yes
N61 PT2 N81 179.2(2) . . . yes
N71 PT2 N81 89.3(2) . . . yes
N12 AG1 N52 176.1(2) . . . yes
N22 AG2 N62 174.5(3) . . . yes
N32 AG3 N72 176.9(2) . . . yes
N42 AG4 N82 176.1(2) . . . yes
PT1 N11 N12 121.4(5) . . . yes
PT1 N11 C15 130.0(5) . . . no
N12 N11 C15 108.5(6) . . . no
AG1 N12 N11 122.7(4) . . . yes
AG1 N12 C13 130.0(6) . . . no
N11 N12 C13 107.0(7) . . . no
PT1 N21 N22 121.7(5) . . . yes
PT1 N21 C25 128.9(6) . . . no
N22 N21 C25 109.3(7) . . . no
AG2 N22 N21 123.3(5) . . . yes
AG2 N22 C23 129.0(6) . . . no
N21 N22 C23 106.6(7) . . . no
PT1 N31 N32 122.4(5) . . . yes
PT1 N31 C35 129.5(5) . . . no
N32 N31 C35 108.1(6) . . . no
AG3 N32 N31 122.1(5) . . . yes
AG3 N32 C33 130.3(5) . . . no
N31 N32 C33 107.5(6) . . . no
PT1 N41 N42 121.7(5) . . . yes
PT1 N41 C45 129.6(6) . . . no
N42 N41 C45 108.1(7) . . . no
AG4 N42 N41 120.0(5) . . . yes
AG4 N42 C43 132.5(6) . . . no
N41 N42 C43 107.4(7) . . . no
PT2 N51 N52 121.9(5) . . . yes
PT2 N51 C55 129.8(5) . . . no
N52 N51 C55 108.3(6) . . . no
AG1 N52 N51 121.5(5) . . . yes
AG1 N52 C53 130.7(6) . . . no
N51 N52 C53 107.5(7) . . . no
PT2 N61 N62 121.7(5) . . . yes
PT2 N61 C65 130.3(6) . . . no
N62 N61 C65 108.0(7) . . . no
AG2 N62 N61 120.9(5) . . . yes
AG2 N62 C63 131.7(6) . . . no
N61 N62 C63 107.1(7) . . . no
PT2 N71 N72 121.9(5) . . . yes
PT2 N71 C75 129.1(5) . . . no
N72 N71 C75 108.8(6) . . . no
AG3 N72 N71 120.6(5) . . . yes
AG3 N72 C73 131.6(5) . . . no
N71 N72 C73 107.2(6) . . . no
PT2 N81 N82 120.8(4) . . . yes
PT2 N81 C85 130.5(6) . . . no
N82 N81 C85 108.5(6) . . . no
AG4 N82 N81 122.8(4) . . . yes
AG4 N82 C83 129.5(5) . . . no
N81 N82 C83 107.1(6) . . . no
N12 C13 C14 110.7(7) . . . no
C13 C14 C15 103.1(7) . . . no
N11 C15 C14 110.7(7) . . . no
N22 C23 C24 109.7(9) . . . no
C23 C24 C25 104.3(8) . . . no
N21 C25 C24 110.2(8) . . . no
N32 C33 C34 110.7(7) . . . no
C33 C34 C35 104.4(7) . . . no
N31 C35 C34 109.2(7) . . . no
N42 C43 C44 111.1(8) . . . no
C43 C44 C45 102.8(8) . . . no
N41 C45 C44 110.6(8) . . . no
N52 C53 C54 111.4(8) . . . no
C53 C54 C55 103.2(8) . . . no
N51 C55 C54 109.5(7) . . . no
N62 C63 C64 109.8(8) . . . no
C63 C64 C65 105.5(8) . . . no
N61 C65 C64 109.5(8) . . . no
N72 C73 C74 109.3(7) . . . no
C73 C74 C75 105.8(7) . . . no
N71 C75 C74 108.9(8) . . . no
N82 C83 C84 108.2(7) . . . no
C83 C84 C85 105.8(7) . . . no
N81 C85 C84 110.3(8) . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
PT1 N11 2.012(6) . . yes
PT1 N21 2.004(7) . . yes
PT1 N31 1.996(6) . . yes
PT1 N41 2.029(7) . . yes
PT2 N51 2.014(6) . . yes
PT2 N61 1.992(6) . . yes
PT2 N71 2.014(6) . . yes
PT2 N81 2.006(6) . . yes
AG1 N12 2.092(6) . . yes
AG1 N52 2.108(7) . . yes
AG2 N22 2.088(7) . . yes
AG2 N62 2.096(7) . . yes
AG3 N32 2.108(6) . . yes
AG3 N72 2.110(6) . . yes
AG4 N42 2.108(6) . . yes
AG4 N82 2.090(6) . . yes
N11 N12 1.358(8) . . no
N11 C15 1.31(1) . . no
N12 C13 1.35(1) . . no
N21 N22 1.344(10) . . no
N21 C25 1.328(9) . . no
N22 C23 1.37(1) . . no
N31 N32 1.362(8) . . no
N31 C35 1.336(10) . . no
N32 C33 1.33(1) . . no
N41 N42 1.338(9) . . no
N41 C45 1.329(10) . . no
N42 C43 1.30(1) . . no
N51 N52 1.369(8) . . no
N51 C55 1.32(1) . . no
N52 C53 1.30(1) . . no
N61 N62 1.358(9) . . no
N61 C65 1.354(9) . . no
N62 C63 1.34(1) . . no
N71 N72 1.356(8) . . no
N71 C75 1.328(10) . . no
N72 C73 1.318(10) . . no
N81 N82 1.364(9) . . no
N81 C85 1.324(9) . . no
N82 C83 1.366(9) . . no
C13 C14 1.37(1) . . no
C14 C15 1.40(1) . . no
C23 C24 1.38(1) . . no
C24 C25 1.38(1) . . no
C33 C34 1.37(1) . . no
C34 C35 1.39(1) . . no
C43 C44 1.39(1) . . no
C44 C45 1.35(1) . . no
C53 C54 1.38(1) . . no
C54 C55 1.40(1) . . no
C63 C64 1.38(1) . . no
C64 C65 1.34(1) . . no
C73 C74 1.38(1) . . no
C74 C75 1.34(1) . . no
C83 C84 1.39(1) . . no
C84 C85 1.36(1) . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
AG1 C24 3.593(9) . 2_566 ?
AG3 C64 3.515(9) . 2_555 ?
AG4 C14 3.382(9) . 2_666 ?
C13 C53 3.55(1) . 2_566 ?
C15 C83 3.49(1) . 2_666 ?
C33 C65 3.47(1) . 2_555 ?
C43 C83 3.59(1) . 2_666 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
PT1 N11 N12 AG1 -2.3(7) . . . . yes
PT1 N11 N12 C13 -176.2(5) . . . . no
PT1 N11 C15 C14 176.3(5) . . . . no
PT1 N21 N22 AG2 -10.1(8) . . . . yes
PT1 N21 N22 C23 -178.8(6) . . . . no
PT1 N21 C25 C24 178.4(6) . . . . no
PT1 N31 N32 AG3 2.7(8) . . . . yes
PT1 N31 N32 C33 -179.5(6) . . . . no
PT1 N31 C35 C34 180.0(6) . . . . no
PT1 N41 N42 AG4 10.0(7) . . . . yes
PT1 N41 N42 C43 -173.7(6) . . . . no
PT1 N41 C45 C44 172.3(6) . . . . no
PT2 N51 N52 AG1 -5.9(8) . . . . yes
PT2 N51 N52 C53 179.7(6) . . . . no
PT2 N51 C55 C54 -179.2(6) . . . . no
PT2 N61 N62 AG2 -3.5(9) . . . . yes
PT2 N61 N62 C63 -178.5(6) . . . . no
PT2 N61 C65 C64 176.9(6) . . . . no
PT2 N71 N72 AG3 -2.4(7) . . . . yes
PT2 N71 N72 C73 -174.3(5) . . . . no
PT2 N71 C75 C74 175.0(6) . . . . no
PT2 N81 N82 AG4 -4.4(8) . . . . yes
PT2 N81 N82 C83 -176.8(5) . . . . no
PT2 N81 C85 C84 176.1(6) . . . . no
AG1 N12 N11 C15 175.5(5) . . . . no
AG1 N12 C13 C14 -174.6(6) . . . . no
AG1 N52 N51 C55 175.4(6) . . . . no
AG1 N52 C53 C54 -174.7(7) . . . . no
AG2 N22 N21 C25 167.2(5) . . . . no
AG2 N22 C23 C24 -166.7(7) . . . . no
AG2 N62 N61 C65 175.9(6) . . . . no
AG2 N62 C63 C64 -173.4(7) . . . . no
AG3 N32 N31 C35 -177.3(6) . . . . no
AG3 N32 C33 C34 176.8(7) . . . . no
AG3 N72 N71 C75 173.1(5) . . . . no
AG3 N72 C73 C74 -172.5(6) . . . . no
AG4 N42 N41 C45 -177.6(6) . . . . no
AG4 N42 C43 C44 177.1(6) . . . . no
AG4 N82 N81 C85 172.2(6) . . . . no
AG4 N82 C83 C84 -171.3(6) . . . . no
N11 PT1 N21 N22 127.3(6) . . . . no
N11 PT1 N21 C25 -49.3(7) . . . . no
N11 PT1 N31 N32 -106(21) . . . . no
N11 PT1 N31 C35 73(21) . . . . no
N11 PT1 N41 N42 -67.1(6) . . . . no
N11 PT1 N41 C45 122.3(8) . . . . no
N11 N12 AG1 N52 157(3) . . . . no
N11 N12 C13 C14 -1.3(10) . . . . no
N11 C15 C14 C13 0.5(10) . . . . no
N12 AG1 N52 N51 141(3) . . . . no
N12 AG1 N52 C53 -45(4) . . . . no
N12 N11 PT1 N21 -56.1(5) . . . . no
N12 N11 PT1 N31 168(21) . . . . no
N12 N11 PT1 N41 124.8(5) . . . . no
N12 N11 C15 C14 -1.3(9) . . . . no
N12 C13 C14 C15 0(1) . . . . no
N21 PT1 N11 C15 126.7(7) . . . . no
N21 PT1 N31 N32 117.9(6) . . . . no
N21 PT1 N31 C35 -62.2(7) . . . . no
N21 PT1 N41 N42 -179(14) . . . . no
N21 PT1 N41 C45 10(15) . . . . no
N21 N22 AG2 N62 148(2) . . . . no
N21 N22 C23 C24 1(1) . . . . no
N21 C25 C24 C23 0(1) . . . . no
N22 AG2 N62 N61 154(2) . . . . no
N22 AG2 N62 C63 -31(3) . . . . no
N22 N21 PT1 N31 -53.1(6) . . . . no
N22 N21 PT1 N41 -120(15) . . . . no
N22 N21 C25 C24 1.3(10) . . . . no
N22 C23 C24 C25 0(1) . . . . no
N31 PT1 N11 C15 -9(22) . . . . no
N31 PT1 N21 C25 130.3(7) . . . . no
N31 PT1 N41 N42 113.3(6) . . . . no
N31 PT1 N41 C45 -57.3(8) . . . . no
N31 N32 AG3 N72 141(4) . . . . no
N31 N32 C33 C34 0(1) . . . . no
N31 C35 C34 C33 0(1) . . . . no
N32 AG3 N72 N71 150(4) . . . . no
N32 AG3 N72 C73 -40(5) . . . . no
N32 N31 PT1 N41 -62.9(6) . . . . no
N32 N31 C35 C34 0(1) . . . . no
N32 C33 C34 C35 0(1) . . . . no
N41 PT1 N11 C15 -52.5(7) . . . . no
N41 PT1 N21 C25 62(15) . . . . no
N41 PT1 N31 C35 117.0(8) . . . . no
N41 N42 AG4 N82 145(3) . . . . no
N41 N42 C43 C44 1(1) . . . . no
N41 C45 C44 C43 0(1) . . . . no
N42 AG4 N82 N81 142(3) . . . . no
N42 AG4 N82 C83 -47(3) . . . . no
N42 N41 C45 C44 0(1) . . . . no
N42 C43 C44 C45 -1(1) . . . . no
N51 PT2 N61 N62 -57.9(6) . . . . no
N51 PT2 N61 C65 122.9(7) . . . . no
N51 PT2 N71 N72 -162(10) . . . . no
N51 PT2 N71 C75 22(11) . . . . no
N51 PT2 N81 N82 124.9(5) . . . . no
N51 PT2 N81 C85 -50.8(7) . . . . no
N51 N52 C53 C54 0(1) . . . . no
N51 C55 C54 C53 0(1) . . . . no
N52 AG1 N12 C13 -30(4) . . . . no
N52 N51 PT2 N61 127.0(6) . . . . no
N52 N51 PT2 N71 -129(11) . . . . no
N52 N51 PT2 N81 -53.7(6) . . . . no
N52 N51 C55 C54 0(1) . . . . no
N52 C53 C54 C55 0(1) . . . . no
N61 PT2 N51 C55 -54.6(8) . . . . no
N61 PT2 N71 N72 -58.9(6) . . . . no
N61 PT2 N71 C75 126.6(7) . . . . no
N61 PT2 N81 N82 -163(16) . . . . no
N61 PT2 N81 C85 20(17) . . . . no
N61 N62 C63 C64 0(1) . . . . no
N61 C65 C64 C63 2(1) . . . . no
N62 AG2 N22 C23 -45(3) . . . . no
N62 N61 PT2 N71 123.3(6) . . . . no
N62 N61 PT2 N81 -129(16) . . . . no
N62 N61 C65 C64 -2(1) . . . . no
N62 C63 C64 C65 -2(1) . . . . no
N71 PT2 N51 C55 49(11) . . . . no
N71 PT2 N61 C65 -56.0(7) . . . . no
N71 PT2 N81 N82 -56.3(5) . . . . no
N71 PT2 N81 C85 128.0(7) . . . . no
N71 N72 C73 C74 -1.9(9) . . . . no
N71 C75 C74 C73 -1.1(10) . . . . no
N72 AG3 N32 C33 -35(5) . . . . no
N72 N71 PT2 N81 121.8(5) . . . . no
N72 N71 C75 C74 0.0(9) . . . . no
N72 C73 C74 C75 1(1) . . . . no
N81 PT2 N51 C55 124.6(8) . . . . no
N81 PT2 N61 C65 51(17) . . . . no
N81 PT2 N71 C75 -52.6(7) . . . . no
N81 N82 C83 C84 0.3(9) . . . . no
N81 C85 C84 C83 0(1) . . . . no
N82 AG4 N42 C43 -30(3) . . . . no
N82 N81 C85 C84 0(1) . . . . no
N82 C83 C84 C85 0(1) . . . . no
C13 N12 N11 C15 1.6(9) . . . . no
C23 N22 N21 C25 -1.6(9) . . . . no
C33 N32 N31 C35 0.5(9) . . . . no
C43 N42 N41 C45 -1.3(9) . . . . no
C53 N52 N51 C55 1.0(9) . . . . no
C63 N62 N61 C65 0.9(10) . . . . no
C73 N72 N71 C75 1.2(8) . . . . no
C83 N82 N81 C85 -0.2(9) . . . . no
C83 N82 N81 C85 -0.2(9) . . . . no
