#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:53:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179941 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/36/7023617.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_7023617
loop_
_publ_author_name
'Galstyan, Anzhela'
'Sanz Miguel, Pablo J.'
'Weise, Katrin'
'Lippert, Bernhard'
_publ_section_title
;
 Discrete and polymeric heteronuclear constructs derived from triangular
 2,2'-bipyrazine complexes of cis-a2Pt(II) (with a = NH3 or a2 = en).
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16151
_journal_page_last               16161
_journal_paper_doi               10.1039/c3dt51589c
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C24 H36 Ag N18 Pt3, 3(Si F6), B F4, 7(H2 O)'
_chemical_formula_sum            'C96 H200 Ag4 B4 F88 N72 O28 Pt12 Si12'
_chemical_formula_weight         7636.16
_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_date             2013-08-09T16:10:13-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 105.888(4)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   16.0402(7)
_cell_length_b                   18.9585(8)
_cell_length_c                   20.3367(9)
_cell_measurement_reflns_used    13070
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.1214
_cell_measurement_theta_min      2.3365
_cell_volume                     5948.1(5)
_computing_cell_refinement
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
        (compiled Oct 24 2008,09:44:38)
;
_computing_data_collection
;
        CrysAlis CCD, Oxford Diffraction Ltd.,
        Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
        (compiled Oct 24 2008,09:44:38)
;
_computing_data_reduction
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
        (compiled Oct 24 2008,09:44:38)
;
_computing_molecular_graphics    'POV-Ray for Windows (version 3.6)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.844
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_unetI/netI     0.0918
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            37215
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         29.22
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    7.54
_exptl_absorpt_correction_T_max  0.323
_exptl_absorpt_correction_T_min  0.314
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.132
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             3608
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         5.069
_refine_diff_density_min         -4.962
_refine_diff_density_rms         0.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     736
_refine_ls_number_reflns         13612
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.1198
_refine_ls_R_factor_gt           0.0732
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1953
_refine_ls_wR_factor_ref         0.209
_reflns_number_gt                7688
_reflns_number_total             13612
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51589c.txt
_cod_data_source_block           1
_cod_original_cell_volume        5948.1(4)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7023617
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.24812(3) 0.34928(3) 0.46533(3) 0.04152(16) Uani 1 1 d . . .
Pt2 Pt 0.26759(6) 0.46716(4) 0.10047(3) 0.0906(3) Uani 1 1 d . . .
Pt3 Pt 0.05689(3) 0.71264(3) 0.31758(3) 0.05091(19) Uani 1 1 d . . .
Ag1 Ag 0.63211(7) 0.33043(7) 0.35331(5) 0.0549(3) Uani 1 1 d . . .
N1 N 0.1395(7) 0.3316(7) 0.4980(7) 0.064(4) Uani 1 1 d . . .
H11 H 0.1162 0.289 0.4823 0.095 Uiso 1 1 calc R . .
H12 H 0.0999 0.3662 0.4817 0.095 Uiso 1 1 calc R . .
H13 H 0.1542 0.3318 0.5445 0.095 Uiso 1 1 calc R . .
N2 N 0.2254(8) 0.2613(7) 0.4099(7) 0.070(4) Uani 1 1 d . . .
H21 H 0.2453 0.2665 0.3723 0.104 Uiso 1 1 calc R . .
H22 H 0.1674 0.2527 0.3965 0.104 Uiso 1 1 calc R . .
H23 H 0.2532 0.2245 0.4354 0.104 Uiso 1 1 calc R . .
N3 N 0.2377(12) 0.3673(8) 0.0720(9) 0.126(8) Uani 1 1 d . . .
H31 H 0.2649 0.3546 0.04 0.189 Uiso 1 1 calc R . .
H32 H 0.1794 0.3633 0.054 0.189 Uiso 1 1 calc R . .
H33 H 0.2552 0.3385 0.109 0.189 Uiso 1 1 calc R . .
N4 N 0.1652(14) 0.5047(9) 0.0246(10) 0.160(11) Uani 1 1 d . . .
H41 H 0.1822 0.5435 0.0052 0.239 Uiso 1 1 calc R . .
H42 H 0.1211 0.5166 0.0426 0.239 Uiso 1 1 calc R . .
H43 H 0.1468 0.4708 -0.0078 0.239 Uiso 1 1 calc R . .
N5 N -0.0413(10) 0.7216(11) 0.2305(8) 0.122(8) Uani 1 1 d . . .
H51 H -0.0238 0.7486 0.1998 0.184 Uiso 1 1 calc R . .
H52 H -0.0879 0.7422 0.2402 0.184 Uiso 1 1 calc R . .
H53 H -0.0564 0.678 0.2124 0.184 Uiso 1 1 calc R . .
N6 N -0.0278(8) 0.6829(8) 0.3712(6) 0.070(4) Uani 1 1 d . . .
H61 H -0.0037 0.6911 0.4165 0.105 Uiso 1 1 calc R . .
H62 H -0.0399 0.6361 0.3644 0.105 Uiso 1 1 calc R . .
H63 H -0.0777 0.7082 0.3565 0.105 Uiso 1 1 calc R . .
N1A N 0.5117(7) 0.3724(8) 0.4016(5) 0.064(4) Uani 1 1 d . . .
C2A C 0.4352(7) 0.3822(7) 0.3551(6) 0.041(3) Uani 1 1 d . . .
C3A C 0.3592(7) 0.3774(6) 0.3738(6) 0.035(3) Uani 1 1 d . . .
H3A H 0.3059 0.3832 0.3395 0.042 Uiso 1 1 calc R . .
N4A N 0.3570(6) 0.3650(6) 0.4373(5) 0.037(2) Uani 1 1 d . . .
C5A C 0.4329(8) 0.3586(9) 0.4863(7) 0.059(4) Uani 1 1 d . . .
H5A H 0.4336 0.3499 0.5324 0.071 Uiso 1 1 calc R . .
C6A C 0.5091(10) 0.3649(13) 0.4682(7) 0.095(7) Uani 1 1 d . . .
H6A H 0.5622 0.3639 0.5032 0.114 Uiso 1 1 calc R . .
N1B N 0.5097(7) 0.3732(6) 0.2693(5) 0.045(3) Uani 1 1 d . . .
C2B C 0.4382(8) 0.3924(6) 0.2847(6) 0.040(3) Uani 1 1 d . . .
C3B C 0.3684(8) 0.4227(7) 0.2347(6) 0.046(3) Uani 1 1 d . . .
H3B H 0.3189 0.4383 0.2476 0.055 Uiso 1 1 calc R . .
N4B N 0.3701(8) 0.4297(6) 0.1723(5) 0.055(3) Uani 1 1 d . . .
C5B C 0.4418(11) 0.4099(9) 0.1564(7) 0.069(5) Uani 1 1 d . . .
H5B H 0.4448 0.4136 0.1105 0.083 Uiso 1 1 calc R . .
C6B C 0.5121(10) 0.3842(10) 0.2065(7) 0.069(5) Uani 1 1 d . . .
H6B H 0.5641 0.3741 0.1946 0.083 Uiso 1 1 calc R . .
N1C N 0.3668(9) 0.7009(7) 0.1629(6) 0.062(4) Uani 1 1 d . . .
C2C C 0.2921(10) 0.6780(8) 0.1738(7) 0.047(3) Uani 1 1 d . . .
C3C C 0.2647(10) 0.6087(7) 0.1570(6) 0.050(3) Uani 1 1 d . . .
H3C H 0.2129 0.5926 0.166 0.06 Uiso 1 1 calc R . .
N4C N 0.3097(11) 0.5645(7) 0.1283(6) 0.072(4) Uani 1 1 d . . .
C5C C 0.3807(15) 0.5877(12) 0.1168(9) 0.089(7) Uani 1 1 d . . .
H5C H 0.4136 0.5573 0.0963 0.107 Uiso 1 1 calc R . .
C6C C 0.4103(14) 0.6592(10) 0.1347(11) 0.086(6) Uani 1 1 d . . .
H6C H 0.4621 0.6753 0.1257 0.103 Uiso 1 1 calc R . .
N1D N 0.2573(9) 0.7945(6) 0.2001(7) 0.061(3) Uani 1 1 d . . .
C2D C 0.2453(8) 0.7273(7) 0.2068(7) 0.042(3) Uani 1 1 d . . .
C3D C 0.1871(9) 0.7058(8) 0.2420(6) 0.046(3) Uani 1 1 d . . .
H3D H 0.18 0.6565 0.2473 0.056 Uiso 1 1 calc R . .
N4D N 0.1424(7) 0.7476(6) 0.2679(5) 0.044(3) Uani 1 1 d . . .
C5D C 0.1532(13) 0.8145(8) 0.2592(9) 0.072(5) Uani 1 1 d . . .
H5D H 0.1198 0.8476 0.2762 0.087 Uiso 1 1 calc R . .
C6D C 0.2088(13) 0.8377(9) 0.2276(11) 0.086(6) Uani 1 1 d . . .
H6D H 0.2154 0.8872 0.2238 0.103 Uiso 1 1 calc R . .
N1E N 0.2799(7) 0.6882(6) 0.5251(5) 0.050(3) Uani 1 1 d . . .
C2E C 0.2365(8) 0.6320(7) 0.4951(7) 0.043(3) Uani 1 1 d . . .
C3E C 0.1713(8) 0.6402(7) 0.4337(6) 0.038(3) Uani 1 1 d . . .
H3E H 0.1397 0.5998 0.413 0.046 Uiso 1 1 calc R . .
N4E N 0.1524(7) 0.7016(6) 0.4037(5) 0.040(2) Uani 1 1 d . . .
C5E C 0.1963(9) 0.7571(8) 0.4342(7) 0.049(3) Uani 1 1 d . . .
H5E H 0.1834 0.8026 0.4143 0.059 Uiso 1 1 calc R . .
C6E C 0.2609(9) 0.7495(8) 0.4950(8) 0.060(4) Uani 1 1 d . . .
H6E H 0.2924 0.79 0.5154 0.072 Uiso 1 1 calc R . .
N1F N 0.2945(7) 0.5637(7) 0.5946(5) 0.050(3) Uani 1 1 d . . .
C2F C 0.2596(7) 0.5626(7) 0.5289(6) 0.034(3) Uani 1 1 d . . .
C3F C 0.2469(8) 0.5014(8) 0.4900(7) 0.046(3) Uani 1 1 d . . .
H3F H 0.2242 0.5038 0.4417 0.055 Uiso 1 1 calc R . .
N4F N 0.2668(6) 0.4388(6) 0.5211(5) 0.040(2) Uani 1 1 d . . .
C5F C 0.2986(10) 0.4384(9) 0.5872(8) 0.061(4) Uani 1 1 d . . .
H5F H 0.3137 0.3948 0.6104 0.074 Uiso 1 1 calc R . .
C6F C 0.3101(12) 0.4969(10) 0.6218(8) 0.072(5) Uani 1 1 d . . .
H6F H 0.3311 0.4933 0.6701 0.086 Uiso 1 1 calc R . .
Si1 Si -0.2708(3) 0.7244(3) 0.2785(3) 0.0714(14) Uani 1 1 d . . .
F11 F -0.3354(8) 0.7723(6) 0.3070(7) 0.113(4) Uani 1 1 d . . .
F12 F -0.3233(10) 0.7433(8) 0.1971(7) 0.137(5) Uani 1 1 d . . .
F13 F -0.2024(8) 0.6783(8) 0.2487(6) 0.117(4) Uani 1 1 d . . .
F14 F -0.3310(9) 0.6531(7) 0.2750(9) 0.136(5) Uani 1 1 d . . .
F15 F -0.2175(8) 0.7035(10) 0.3587(6) 0.154(7) Uani 1 1 d . . .
F16 F -0.2048(15) 0.7913(11) 0.2812(9) 0.215(11) Uani 1 1 d . . .
Si2 Si 0.0204(7) 0.8257(6) 0.5358(6) 0.0760(12) Uani 0.5 1 d P A 1
F21 F 0.1137(12) 0.8573(10) 0.5233(10) 0.0760(12) Uani 0.5 1 d P A 1
F22 F -0.0785(12) 0.8005(11) 0.5432(10) 0.0760(12) Uani 0.5 1 d P A 1
F23 F 0.0053(13) 0.9072(12) 0.5554(10) 0.0760(12) Uani 0.5 1 d P A 1
F24 F 0.0429(11) 0.7417(11) 0.5074(10) 0.0760(12) Uani 0.5 1 d P A 1
F25 F 0.0617(11) 0.8029(11) 0.6118(10) 0.0760(12) Uani 0.5 1 d P A 1
F26 F -0.0273(12) 0.8556(10) 0.4552(10) 0.0760(12) Uani 0.5 1 d P A 1
Si3 Si -0.0223(7) 0.8610(6) 0.5753(6) 0.0760(12) Uani 0.5 1 d P B 2
F31 F -0.0324(12) 0.9394(11) 0.5466(10) 0.0760(12) Uani 0.5 1 d P B 2
F32 F 0.0769(13) 0.8530(10) 0.5590(11) 0.0760(12) Uani 0.5 1 d P B 2
F33 F -0.0727(12) 0.8341(11) 0.4984(10) 0.0760(12) Uani 0.5 1 d P B 2
F34 F 0.0248(11) 0.8899(10) 0.6578(10) 0.0760(12) Uani 0.5 1 d P B 2
F35 F -0.0169(12) 0.7766(10) 0.6032(10) 0.0760(12) Uani 0.5 1 d P B 2
F36 F -0.1221(12) 0.8644(10) 0.5836(10) 0.0760(12) Uani 0.5 1 d P B 2
Si4 Si -0.0221(10) 0.4905(8) 0.4573(9) 0.247(4) Uani 1 1 d D C -1
F41 F 0.0058(17) 0.5773(10) 0.4771(16) 0.247(4) Uani 1 1 d D C -1
F42 F 0.0712(14) 0.4591(14) 0.4989(15) 0.247(4) Uani 1 1 d D C -1
F43 F -0.0579(13) 0.4109(12) 0.4132(14) 0.247(4) Uani 1 1 d D C -1
F44 F 0.0339(16) 0.4948(13) 0.3996(14) 0.247(4) Uani 1 1 d D C -1
F45 F -0.1163(13) 0.5181(13) 0.4106(13) 0.247(4) Uani 1 1 d D C -1
F46 F -0.0824(17) 0.4500(13) 0.5003(15) 0.247(4) Uani 1 1 d D C -1
B5 B 0.3483(12) 0.5727(10) 0.3510(8) 0.117(3) Uani 0.5 1 d PD D 1
F51 F 0.3275(17) 0.6415(10) 0.3736(14) 0.117(3) Uani 0.5 1 d PD D 1
F52 F 0.4076(13) 0.5361(13) 0.4076(9) 0.117(3) Uani 0.5 1 d PD D 1
F53 F 0.3897(15) 0.5820(12) 0.2962(10) 0.117(3) Uani 0.5 1 d PD D 1
F54 F 0.2696(12) 0.5317(11) 0.3266(11) 0.117(3) Uani 0.5 1 d PD D 1
B6 B 0.3689(12) 0.5778(10) 0.3614(9) 0.117(3) Uani 0.5 1 d PD E 2
F61 F 0.3393(17) 0.6449(11) 0.3814(14) 0.117(3) Uani 0.5 1 d PD E 2
F62 F 0.3600(15) 0.5234(12) 0.4092(10) 0.117(3) Uani 0.5 1 d PD E 2
F63 F 0.4602(11) 0.5839(12) 0.3632(11) 0.117(3) Uani 0.5 1 d PD E 2
F64 F 0.3175(14) 0.5600(12) 0.2930(8) 0.117(3) Uani 0.5 1 d PD E 2
O1W O -0.0556(13) 0.8576(12) 0.1693(10) 0.127(8) Uani 0.75 1 d P . .
O2W O -0.4583(13) 0.7021(14) 0.3616(10) 0.132(9) Uani 0.75 1 d P . .
O3W O 0.0624(15) 0.9041(12) 0.3601(13) 0.140(9) Uani 0.75 1 d P . .
O4W O -0.1945(18) 0.5272(12) 0.2703(14) 0.086(7) Uani 0.5 1 d P . .
O5W O 0.2894(18) 0.5924(15) -0.0392(14) 0.099(8) Uani 0.5 1 d PU . .
O6W O 0.3638(13) 0.1739(13) 0.5007(15) 0.172(13) Uani 0.75 1 d P . .
O7W O 0.5248(15) 0.5585(13) 0.2533(14) 0.098(9) Uani 0.5 1 d P . .
O8W O 0.3291(17) 0.6521(13) -0.1239(13) 0.085(7) Uani 0.5 1 d PU . .
O9W O 0.105(2) 0.9737(18) 0.685(3) 0.069(13) Uani 0.25 1 d P . .
O10W O 0.1672(17) 0.407(2) 0.266(2) 0.168(17) Uani 0.5 1 d P . .
O11W O 0.388(3) 0.745(3) -0.147(2) 0.077(14) Uani 0.25 1 d P . .
O12W O 0.480(3) 0.713(3) -0.037(2) 0.080(13) Uani 0.25 1 d PU . .
O13W O 0.608(4) 0.612(3) 0.124(3) 0.224(19) Uani 0.5 1 d PU . .
O14W O 0.424(4) 0.572(3) -0.049(3) 0.099(15) Uani 0.25 1 d PU . .
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 0 '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'
O O 0.0106 0.006 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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
N2 Pt1 N4A 90.1(5) . .
N2 Pt1 N4F 178.1(5) . .
N4A Pt1 N4F 91.6(4) . .
N2 Pt1 N1 90.4(6) . .
N4A Pt1 N1 177.6(4) . .
N4F Pt1 N1 87.9(5) . .
N4C Pt2 N3 174.1(8) . .
N4C Pt2 N4B 88.5(5) . .
N3 Pt2 N4B 87.7(5) . .
N4C Pt2 N4 91.8(6) . .
N3 Pt2 N4 91.8(6) . .
N4B Pt2 N4 178.0(8) . .
N4E Pt3 N4D 90.5(4) . .
N4E Pt3 N5 178.6(6) . .
N4D Pt3 N5 90.4(5) . .
N4E Pt3 N6 88.1(5) . .
N4D Pt3 N6 176.5(5) . .
N5 Pt3 N6 91.0(6) . .
N1B Ag1 N1D 109.8(4) . 2_645
N1B Ag1 N1F 103.9(4) . 3_666
N1D Ag1 N1F 95.8(4) 2_645 3_666
N1B Ag1 N1C 106.2(4) . 2_645
N1D Ag1 N1C 68.2(4) 2_645 2_645
N1F Ag1 N1C 149.3(4) 3_666 2_645
N1B Ag1 N1E 152.9(4) . 3_666
N1D Ag1 N1E 96.8(4) 2_645 3_666
N1F Ag1 N1E 67.1(4) 3_666 3_666
N1C Ag1 N1E 88.2(4) 2_645 3_666
N1B Ag1 N1A 66.5(3) . .
N1D Ag1 N1A 176.1(4) 2_645 .
N1F Ag1 N1A 84.3(4) 3_666 .
N1C Ag1 N1A 113.5(5) 2_645 .
N1E Ag1 N1A 86.9(3) 3_666 .
Pt1 N1 H11 109.5 . .
Pt1 N1 H12 109.5 . .
H11 N1 H12 109.5 . .
Pt1 N1 H13 109.5 . .
H11 N1 H13 109.5 . .
H12 N1 H13 109.5 . .
Pt1 N2 H21 109.5 . .
Pt1 N2 H22 109.5 . .
H21 N2 H22 109.5 . .
Pt1 N2 H23 109.5 . .
H21 N2 H23 109.5 . .
H22 N2 H23 109.5 . .
Pt2 N3 H31 109.5 . .
Pt2 N3 H32 109.5 . .
H31 N3 H32 109.5 . .
Pt2 N3 H33 109.5 . .
H31 N3 H33 109.5 . .
H32 N3 H33 109.5 . .
Pt2 N4 H41 109.5 . .
Pt2 N4 H42 109.5 . .
H41 N4 H42 109.5 . .
Pt2 N4 H43 109.5 . .
H41 N4 H43 109.5 . .
H42 N4 H43 109.5 . .
Pt3 N5 H51 109.5 . .
Pt3 N5 H52 109.5 . .
H51 N5 H52 109.5 . .
Pt3 N5 H53 109.5 . .
H51 N5 H53 109.5 . .
H52 N5 H53 109.5 . .
Pt3 N6 H61 109.5 . .
Pt3 N6 H62 109.5 . .
H61 N6 H62 109.5 . .
Pt3 N6 H63 109.5 . .
H61 N6 H63 109.5 . .
H62 N6 H63 109.5 . .
C2A N1A C6A 116.0(12) . .
C2A N1A Ag1 114.8(9) . .
C6A N1A Ag1 125.7(10) . .
N1A C2A C3A 120.4(12) . .
N1A C2A C2B 116.1(11) . .
C3A C2A C2B 123.3(10) . .
N4A C3A C2A 122.9(10) . .
N4A C3A H3A 118.5 . .
C2A C3A H3A 118.5 . .
C3A N4A C5A 118.5(10) . .
C3A N4A Pt1 124.3(7) . .
C5A N4A Pt1 117.2(8) . .
N4A C5A C6A 118.8(12) . .
N4A C5A H5A 120.6 . .
C6A C5A H5A 120.6 . .
N1A C6A C5A 122.9(12) . .
N1A C6A H6A 118.6 . .
C5A C6A H6A 118.6 . .
C6B N1B C2B 116.6(12) . .
C6B N1B Ag1 121.4(10) . .
C2B N1B Ag1 121.7(8) . .
N1B C2B C3B 120.7(12) . .
N1B C2B C2A 117.5(10) . .
C3B C2B C2A 121.9(11) . .
N4B C3B C2B 121.8(12) . .
N4B C3B H3B 119.1 . .
C2B C3B H3B 119.1 . .
C3B N4B C5B 117.6(12) . .
C3B N4B Pt2 121.5(10) . .
C5B N4B Pt2 120.9(9) . .
N4B C5B C6B 120.3(14) . .
N4B C5B H5B 119.8 . .
C6B C5B H5B 119.8 . .
N1B C6B C5B 122.7(15) . .
N1B C6B H6B 118.7 . .
C5B C6B H6B 118.7 . .
C6C N1C C2C 119.3(16) . .
C6C N1C Ag1 121.7(12) . 2_655
C2C N1C Ag1 112.3(9) . 2_655
N1C C2C C3C 119.8(13) . .
N1C C2C C2D 117.2(13) . .
C3C C2C C2D 122.9(13) . .
N4C C3C C2C 121.6(15) . .
N4C C3C H3C 119.2 . .
C2C C3C H3C 119.2 . .
C5C N4C C3C 118.0(16) . .
C5C N4C Pt2 120.5(13) . .
C3C N4C Pt2 121.4(14) . .
N4C C5C C6C 120.9(17) . .
N4C C5C H5C 119.5 . .
C6C C5C H5C 119.5 . .
N1C C6C C5C 120.4(19) . .
N1C C6C H6C 119.8 . .
C5C C6C H6C 119.8 . .
C2D N1D C6D 115.6(13) . .
C2D N1D Ag1 118.1(9) . 2_655
C6D N1D Ag1 126.2(11) . 2_655
N1D C2D C3D 118.8(13) . .
N1D C2D C2C 117.7(12) . .
C3D C2D C2C 123.4(12) . .
N4D C3D C2D 124.5(13) . .
N4D C3D H3D 117.8 . .
C2D C3D H3D 117.8 . .
C3D N4D C5D 116.1(12) . .
C3D N4D Pt3 122.5(10) . .
C5D N4D Pt3 121.4(10) . .
N4D C5D C6D 121.9(15) . .
N4D C5D H5D 119.1 . .
C6D C5D H5D 119.1 . .
C5D C6D N1D 123.1(16) . .
C5D C6D H6D 118.4 . .
N1D C6D H6D 118.4 . .
C6E N1E C2E 118.2(11) . .
C6E N1E Ag1 125.5(9) . 3_666
C2E N1E Ag1 114.9(9) . 3_666
N1E C2E C3E 119.3(12) . .
N1E C2E C2F 117.8(11) . .
C3E C2E C2F 122.9(12) . .
N4E C3E C2E 122.4(12) . .
N4E C3E H3E 118.8 . .
C2E C3E H3E 118.8 . .
C3E N4E C5E 117.6(11) . .
C3E N4E Pt3 121.7(9) . .
C5E N4E Pt3 120.6(9) . .
N4E C5E C6E 120.5(13) . .
N4E C5E H5E 119.8 . .
C6E C5E H5E 119.8 . .
N1E C6E C5E 122.1(14) . .
N1E C6E H6E 119 . .
C5E C6E H6E 119 . .
C2F N1F C6F 112.2(13) . .
C2F N1F Ag1 119.0(9) . 3_666
C6F N1F Ag1 125.0(10) . 3_666
N1F C2F C3F 123.7(12) . .
N1F C2F C2E 116.4(12) . .
C3F C2F C2E 119.8(11) . .
N4F C3F C2F 119.4(11) . .
N4F C3F H3F 120.3 . .
C2F C3F H3F 120.3 . .
C5F N4F C3F 117.9(13) . .
C5F N4F Pt1 122.1(10) . .
C3F N4F Pt1 120.0(9) . .
C6F C5F N4F 120.9(15) . .
C6F C5F H5F 119.6 . .
N4F C5F H5F 119.6 . .
C5F C6F N1F 125.7(15) . .
C5F C6F H6F 117.2 . .
N1F C6F H6F 117.2 . .
F11 Si1 F13 177.6(8) . .
F11 Si1 F16 91.4(10) . .
F13 Si1 F16 86.2(10) . .
F11 Si1 F14 92.9(8) . .
F13 Si1 F14 89.5(8) . .
F16 Si1 F14 175.6(11) . .
F11 Si1 F15 89.4(7) . .
F13 Si1 F15 91.1(7) . .
F16 Si1 F15 89.8(10) . .
F14 Si1 F15 89.2(9) . .
F11 Si1 F12 92.0(7) . .
F13 Si1 F12 87.5(7) . .
F16 Si1 F12 90.7(9) . .
F14 Si1 F12 90.1(8) . .
F15 Si1 F12 178.4(9) . .
F25 Si2 F23 94.0(12) . .
F25 Si2 F21 95.4(11) . .
F23 Si2 F21 84.2(11) . .
F25 Si2 F22 89.3(11) . .
F23 Si2 F22 92.2(11) . .
F21 Si2 F22 174.3(13) . .
F25 Si2 F26 175.9(14) . .
F23 Si2 F26 82.1(11) . .
F21 Si2 F26 85.5(10) . .
F22 Si2 F26 89.7(10) . .
F25 Si2 F24 90.3(12) . .
F23 Si2 F24 173.2(12) . .
F21 Si2 F24 90.2(10) . .
F22 Si2 F24 93.1(10) . .
F26 Si2 F24 93.7(11) . .
F31 Si3 F33 88.1(12) . .
F31 Si3 F36 89.8(11) . .
F33 Si3 F36 82.6(11) . .
F31 Si3 F35 177.0(12) . .
F33 Si3 F35 89.6(11) . .
F36 Si3 F35 88.0(11) . .
F31 Si3 F32 91.0(11) . .
F33 Si3 F32 91.7(11) . .
F36 Si3 F32 174.2(12) . .
F35 Si3 F32 90.9(11) . .
F31 Si3 F34 91.9(11) . .
F33 Si3 F34 176.3(12) . .
F36 Si3 F34 93.7(11) . .
F35 Si3 F34 90.4(11) . .
F32 Si3 F34 92.0(10) . .
F42 Si4 F45 175.6(16) . .
F42 Si4 F46 98.3(16) . .
F45 Si4 F46 82.9(15) . .
F42 Si4 F44 77.6(15) . .
F45 Si4 F44 99.5(16) . .
F46 Si4 F44 154.1(16) . .
F42 Si4 F41 94.9(15) . .
F45 Si4 F41 88.2(15) . .
F46 Si4 F41 118.1(14) . .
F44 Si4 F41 87.8(14) . .
F42 Si4 F43 94.4(15) . .
F45 Si4 F43 81.8(14) . .
F46 Si4 F43 73.6(13) . .
F44 Si4 F43 81.2(13) . .
F41 Si4 F43 163.7(18) . .
F54 B5 F51 109.7(9) . .
F54 B5 F52 109.5(8) . .
F51 B5 F52 109.5(8) . .
F54 B5 F53 109.9(8) . .
F51 B5 F53 109.1(8) . .
F52 B5 F53 109.1(8) . .
F62 B6 F64 110.1(9) . .
F62 B6 F61 109.6(9) . .
F64 B6 F61 109.1(8) . .
F62 B6 F63 108.8(8) . .
F64 B6 F63 110.2(9) . .
F61 B6 F63 109.1(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N2 1.990(13) .
Pt1 N4A 2.003(9) .
Pt1 N4F 2.017(11) .
Pt1 N1 2.056(10) .
Pt2 N4C 1.993(16) .
Pt2 N3 2.000(16) .
Pt2 N4B 2.006(10) .
Pt2 N4 2.049(13) .
Pt3 N4E 1.997(10) .
Pt3 N4D 2.024(10) .
Pt3 N5 2.030(13) .
Pt3 N6 2.041(11) .
Ag1 N1B 2.365(10) .
Ag1 N1D 2.418(12) 2_645
Ag1 N1F 2.419(13) 3_666
Ag1 N1C 2.478(13) 2_645
Ag1 N1E 2.514(10) 3_666
Ag1 N1A 2.523(12) .
N1 H11 0.91 .
N1 H12 0.91 .
N1 H13 0.91 .
N2 H21 0.91 .
N2 H22 0.91 .
N2 H23 0.91 .
N3 H31 0.91 .
N3 H32 0.91 .
N3 H33 0.91 .
N4 H41 0.91 .
N4 H42 0.91 .
N4 H43 0.91 .
N5 H51 0.91 .
N5 H52 0.91 .
N5 H53 0.91 .
N6 H61 0.91 .
N6 H62 0.91 .
N6 H63 0.91 .
N1A C2A 1.341(15) .
N1A C6A 1.373(19) .
C2A C3A 1.374(16) .
C2A C2B 1.459(18) .
C3A N4A 1.322(15) .
C3A H3A 0.95 .
N4A C5A 1.351(14) .
C5A C6A 1.37(2) .
C5A H5A 0.95 .
C6A H6A 0.95 .
N1B C6B 1.305(18) .
N1B C2B 1.321(16) .
C2B C3B 1.412(16) .
C3B N4B 1.284(16) .
C3B H3B 0.95 .
N4B C5B 1.332(19) .
C5B C6B 1.38(2) .
C5B H5B 0.95 .
C6B H6B 0.95 .
N1C C6C 1.29(2) .
N1C C2C 1.349(18) .
N1C Ag1 2.478(13) 2_655
C2C C3C 1.397(19) .
C2C C2D 1.471(19) .
C3C N4C 1.340(19) .
C3C H3C 0.95 .
N4C C5C 1.30(3) .
C5C C6C 1.45(3) .
C5C H5C 0.95 .
C6C H6C 0.95 .
N1D C2D 1.302(16) .
N1D C6D 1.351(19) .
N1D Ag1 2.418(12) 2_655
C2D C3D 1.384(18) .
C3D N4D 1.275(17) .
C3D H3D 0.95 .
N4D C5D 1.300(19) .
C5D C6D 1.31(2) .
C5D H5D 0.95 .
C6D H6D 0.95 .
N1E C6E 1.310(18) .
N1E C2E 1.327(17) .
N1E Ag1 2.514(10) 3_666
C2E C3E 1.402(17) .
C2E C2F 1.483(17) .
C3E N4E 1.311(15) .
C3E H3E 0.95 .
N4E C5E 1.323(17) .
C5E C6E 1.387(18) .
C5E H5E 0.95 .
C6E H6E 0.95 .
N1F C2F 1.299(15) .
N1F C6F 1.378(19) .
N1F Ag1 2.419(13) 3_666
C2F C3F 1.388(19) .
C3F N4F 1.342(16) .
C3F H3F 0.95 .
N4F C5F 1.301(17) .
C5F C6F 1.30(2) .
C5F H5F 0.95 .
C6F H6F 0.95 .
Si1 F11 1.601(13) .
Si1 F13 1.641(13) .
Si1 F16 1.643(15) .
Si1 F14 1.651(13) .
Si1 F15 1.667(12) .
Si1 F12 1.678(13) .
Si2 F25 1.57(2) .
Si2 F23 1.63(2) .
Si2 F21 1.69(2) .
Si2 F22 1.70(2) .
Si2 F26 1.70(2) .
Si2 F24 1.76(2) .
Si3 F31 1.59(2) .
Si3 F33 1.63(2) .
Si3 F36 1.66(2) .
Si3 F35 1.69(2) .
Si3 F32 1.72(2) .
Si3 F34 1.73(2) .
Si4 F42 1.618(17) .
Si4 F45 1.634(17) .
Si4 F46 1.658(17) .
Si4 F44 1.664(17) .
Si4 F41 1.725(17) .
Si4 F43 1.770(17) .
B5 F54 1.449(9) .
B5 F51 1.452(9) .
B5 F52 1.454(9) .
B5 F53 1.454(9) .
B6 F62 1.450(9) .
B6 F64 1.450(9) .
B6 F61 1.454(9) .
B6 F63 1.459(9) .
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
N1B Ag1 N1A C2A 14.1(10) .
N1F Ag1 N1A C2A 122.0(11) 3_666
N1C Ag1 N1A C2A -84.1(11) 2_645
N1E Ag1 N1A C2A -170.8(11) 3_666
N1B Ag1 N1A C6A 172.4(17) .
N1F Ag1 N1A C6A -79.7(16) 3_666
N1C Ag1 N1A C6A 74.3(16) 2_645
N1E Ag1 N1A C6A -12.4(16) 3_666
C6A N1A C2A C3A -6(2) .
Ag1 N1A C2A C3A 154.2(10) .
C6A N1A C2A C2B 178.2(16) .
Ag1 N1A C2A C2B -21.3(16) .
N1A C2A C3A N4A 2(2) .
C2B C2A C3A N4A 176.9(12) .
C2A C3A N4A C5A 1.7(19) .
C2A C3A N4A Pt1 -174.4(9) .
N2 Pt1 N4A C3A 64.5(11) .
N4F Pt1 N4A C3A -114.6(10) .
N2 Pt1 N4A C5A -111.8(11) .
N4F Pt1 N4A C5A 69.1(11) .
C3A N4A C5A C6A 0(2) .
Pt1 N4A C5A C6A 176.2(15) .
C2A N1A C6A C5A 8(3) .
Ag1 N1A C6A C5A -150.1(16) .
N4A C5A C6A N1A -5(3) .
N1D Ag1 N1B C6B -9.5(13) 2_645
N1F Ag1 N1B C6B 92.1(13) 3_666
N1C Ag1 N1B C6B -81.6(13) 2_645
N1E Ag1 N1B C6B 158.7(12) 3_666
N1A Ag1 N1B C6B 169.4(14) .
N1D Ag1 N1B C2B 176.0(10) 2_645
N1F Ag1 N1B C2B -82.4(10) 3_666
N1C Ag1 N1B C2B 103.9(10) 2_645
N1E Ag1 N1B C2B -15.8(16) 3_666
N1A Ag1 N1B C2B -5.1(10) .
C6B N1B C2B C3B 0(2) .
Ag1 N1B C2B C3B 175.2(9) .
C6B N1B C2B C2A -178.5(13) .
Ag1 N1B C2B C2A -3.7(16) .
N1A C2A C2B N1B 17.4(18) .
C3A C2A C2B N1B -157.9(12) .
N1A C2A C2B C3B -161.5(13) .
C3A C2A C2B C3B 23.1(19) .
N1B C2B C3B N4B 3(2) .
C2A C2B C3B N4B -177.9(13) .
C2B C3B N4B C5B -3(2) .
C2B C3B N4B Pt2 176.1(10) .
N4C Pt2 N4B C3B 85.0(12) .
N3 Pt2 N4B C3B -99.6(13) .
N4C Pt2 N4B C5B -96.3(13) .
N3 Pt2 N4B C5B 79.2(14) .
C3B N4B C5B C6B -1(2) .
Pt2 N4B C5B C6B 180.0(13) .
C2B N1B C6B C5B -4(2) .
Ag1 N1B C6B C5B -179.2(13) .
N4B C5B C6B N1B 5(3) .
C6C N1C C2C C3C 2(2) .
Ag1 N1C C2C C3C 154.2(10) 2_655
C6C N1C C2C C2D 179.2(15) .
Ag1 N1C C2C C2D -29.0(15) 2_655
N1C C2C C3C N4C -1.8(19) .
C2D C2C C3C N4C -178.4(12) .
C2C C3C N4C C5C 0(2) .
C2C C3C N4C Pt2 -177.2(9) .
N4B Pt2 N4C C5C 68.2(13) .
N4 Pt2 N4C C5C -109.8(15) .
N4B Pt2 N4C C3C -114.2(11) .
N4 Pt2 N4C C3C 67.8(12) .
C3C N4C C5C C6C 0(2) .
Pt2 N4C C5C C6C 177.9(13) .
C2C N1C C6C C5C -2(3) .
Ag1 N1C C6C C5C -150.8(14) 2_655
N4C C5C C6C N1C 0(3) .
C6D N1D C2D C3D -1(2) .
Ag1 N1D C2D C3D 175.0(9) 2_655
C6D N1D C2D C2C 176.0(16) .
Ag1 N1D C2D C2C -7.6(17) 2_655
N1C C2C C2D N1D 25.8(19) .
C3C C2C C2D N1D -157.6(14) .
N1C C2C C2D C3D -157.0(13) .
C3C C2C C2D C3D 20(2) .
N1D C2D C3D N4D 1(2) .
C2C C2D C3D N4D -176.1(13) .
C2D C3D N4D C5D 1(2) .
C2D C3D N4D Pt3 179.0(10) .
N4E Pt3 N4D C3D 83.8(11) .
N5 Pt3 N4D C3D -95.3(12) .
N4E Pt3 N4D C5D -98.0(13) .
N5 Pt3 N4D C5D 83.0(14) .
C3D N4D C5D C6D -2(3) .
Pt3 N4D C5D C6D 179.5(17) .
N4D C5D C6D N1D 2(3) .
C2D N1D C6D C5D 0(3) .
Ag1 N1D C6D C5D -176.1(16) 2_655
C6E N1E C2E C3E -1.4(19) .
Ag1 N1E C2E C3E 166.1(9) 3_666
C6E N1E C2E C2F 178.8(13) .
Ag1 N1E C2E C2F -13.7(14) 3_666
N1E C2E C3E N4E 1.4(19) .
C2F C2E C3E N4E -178.8(11) .
C2E C3E N4E C5E -1.3(18) .
C2E C3E N4E Pt3 -178.1(9) .
N4D Pt3 N4E C3E -119.3(10) .
N6 Pt3 N4E C3E 64.0(10) .
N4D Pt3 N4E C5E 64.0(10) .
N6 Pt3 N4E C5E -112.7(11) .
C3E N4E C5E C6E 1(2) .
Pt3 N4E C5E C6E 178.2(11) .
C2E N1E C6E C5E 1(2) .
Ag1 N1E C6E C5E -164.5(11) 3_666
N4E C5E C6E N1E -1(2) .
C6F N1F C2F C3F -5.5(17) .
Ag1 N1F C2F C3F 153.7(10) 3_666
C6F N1F C2F C2E 177.3(12) .
Ag1 N1F C2F C2E -23.6(13) 3_666
N1E C2E C2F N1F 25.1(16) .
C3E C2E C2F N1F -154.7(12) .
N1E C2E C2F C3F -152.2(12) .
C3E C2E C2F C3F 28.0(17) .
N1F C2F C3F N4F 3.8(18) .
C2E C2F C3F N4F -179.1(11) .
C2F C3F N4F C5F -0.9(17) .
C2F C3F N4F Pt1 179.7(8) .
N4A Pt1 N4F C5F -100.5(11) .
N1 Pt1 N4F C5F 77.1(11) .
N4A Pt1 N4F C3F 78.9(9) .
N1 Pt1 N4F C3F -103.4(9) .
C3F N4F C5F C6F 0(2) .
Pt1 N4F C5F C6F 179.9(13) .
N4F C5F C6F N1F -3(3) .
C2F N1F C6F C5F 5(2) .
Ag1 N1F C6F C5F -152.6(14) 3_666
