#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:39:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178718 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/29/4082931.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_4082931
loop_
_publ_author_name
'Pittracher, Michael'
'Frisch, Ulla'
'Kopacka, Holger'
'Wurst, Klaus'
'Müller, Thomas'
'Oehninger, Luciano'
'Ott, Ingo'
'Wuttke, Evelyn'
'Scheerer, Stefan'
'Winter, Rainer F.'
'Bildstein, Benno'
_publ_section_title
;
 π-Complexes of Tropolone and Its N-Derivatives: Ambidentate
 [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium
 Sandwich Complexes
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1630
_journal_paper_doi               10.1021/om401200t
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C37 H48 Cu F12 O6 P2 Ru2'
_chemical_formula_weight         1144.37
_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                100.460(2)
_cell_angle_beta                 99.595(3)
_cell_angle_gamma                107.645(2)
_cell_formula_units_Z            2
_cell_length_a                   11.0826(4)
_cell_length_b                   12.8205(5)
_cell_length_c                   16.7272(7)
_cell_measurement_reflns_used    22119
_cell_measurement_temperature    233(2)
_cell_measurement_theta_max      24.0
_cell_measurement_theta_min      1.0
_cell_volume                     2163.99(15)
_computing_data_collection       COLLECT
_computing_data_reduction        'DENZO and SCALEPACK'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      233(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi- and omega-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11038
_diffrn_reflns_theta_full        23.92
_diffrn_reflns_theta_max         23.92
_diffrn_reflns_theta_min         1.27
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.345
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1146
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.064
_refine_diff_density_min         -0.677
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment
;
 constr., refined at O5, C8-C12 and C28-C32 (bond restraints)'
;
_refine_ls_matrix_type           full
_refine_ls_number_parameters     702
_refine_ls_number_reflns         6481
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0440
_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)+(0.0342P)²+6.7752P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1016
_reflns_number_gt                5226
_reflns_number_total             6481
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om401200t_si_002.cif
_cod_data_source_block           12
_cod_depositor_comments          'Adding full bibliography for 4082931.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4082931
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
Ru1 Ru 0.08323(4) 0.70006(3) 0.72436(3) 0.02797(13) Uani 1 1 d . . .
Ru2 Ru 0.27859(4) 0.88558(3) 0.27818(3) 0.02775(13) Uani 1 1 d . . .
Cu1 Cu 0.28918(6) 0.72505(5) 0.50380(4) 0.03233(18) Uani 1 1 d . . .
O1 O 0.1570(4) 0.6094(3) 0.5306(2) 0.0370(9) Uani 1 1 d . . .
O2 O 0.3348(4) 0.7922(3) 0.6238(2) 0.0371(9) Uani 1 1 d . . .
O3 O 0.2279(3) 0.6667(3) 0.3830(2) 0.0344(9) Uani 1 1 d . . .
O4 O 0.4037(3) 0.8518(3) 0.4755(2) 0.0339(9) Uani 1 1 d . . .
O5 O 0.4441(5) 0.6323(5) 0.5255(4) 0.0636(13) Uani 1 1 d D . .
H5A H 0.427(10) 0.584(7) 0.554(6) 0.14(5) Uiso 1 1 d D . .
H5B H 0.473(13) 0.617(12) 0.483(5) 0.20(6) Uiso 1 1 d D . .
C1 C -0.0074(6) 0.8013(6) 0.6639(4) 0.0456(16) Uani 1 1 d . . .
C2 C 0.0554(6) 0.8627(5) 0.7482(4) 0.0471(16) Uani 1 1 d . . .
C3 C -0.0037(7) 0.7997(6) 0.8005(4) 0.0490(17) Uani 1 1 d . . .
C4 C -0.1036(6) 0.7014(5) 0.7504(5) 0.0489(16) Uani 1 1 d . . .
C5 C -0.1076(6) 0.7018(5) 0.6670(4) 0.0462(16) Uani 1 1 d . . .
C6 C 0.1743(5) 0.6182(4) 0.6102(3) 0.0301(12) Uani 1 1 d . . .
C7 C 0.2765(5) 0.7222(4) 0.6629(3) 0.0312(12) Uani 1 1 d . . .
C8 C 0.3027(5) 0.7555(5) 0.7514(3) 0.0341(13) Uani 1 1 d D . .
H8 H 0.350(4) 0.831(2) 0.776(3) 0.026(13) Uiso 1 1 d D . .
C9 C 0.2579(6) 0.6978(5) 0.8108(4) 0.0388(14) Uani 1 1 d D . .
H9 H 0.290(4) 0.742(3) 0.8651(16) 0.023(13) Uiso 1 1 d D . .
C10 C 0.1589(6) 0.5940(5) 0.7972(4) 0.0371(14) Uani 1 1 d D . .
H10 H 0.138(5) 0.571(4) 0.844(2) 0.026(13) Uiso 1 1 d D . .
C11 C 0.0791(6) 0.5246(5) 0.7197(4) 0.0388(14) Uani 1 1 d D . .
H11 H 0.003(3) 0.467(3) 0.722(3) 0.030 Uiso 1 1 d D . .
C12 C 0.0822(5) 0.5405(5) 0.6393(4) 0.0342(13) Uani 1 1 d D . .
H12 H 0.015(4) 0.489(4) 0.597(3) 0.056(19) Uiso 1 1 d D . .
C21 C 0.1202(6) 0.9177(5) 0.3271(4) 0.0413(15) Uani 1 1 d . . .
C22 C 0.2224(6) 1.0224(5) 0.3377(4) 0.0444(16) Uani 1 1 d . . .
C23 C 0.2377(6) 1.0359(5) 0.2573(5) 0.0503(17) Uani 1 1 d . . .
C24 C 0.1447(6) 0.9394(6) 0.1979(4) 0.0477(16) Uani 1 1 d . . .
C25 C 0.0733(6) 0.8667(5) 0.2401(4) 0.0465(16) Uani 1 1 d . . .
C26 C 0.2987(5) 0.7305(4) 0.3442(3) 0.0293(12) Uani 1 1 d . . .
C27 C 0.3979(5) 0.8350(4) 0.3967(3) 0.0278(12) Uani 1 1 d . . .
C28 C 0.4736(5) 0.9238(5) 0.3665(4) 0.0338(13) Uani 1 1 d D . .
H28 H 0.515(4) 0.988(3) 0.408(2) 0.029(14) Uiso 1 1 d D . .
C29 C 0.4898(6) 0.9296(5) 0.2862(4) 0.0383(14) Uani 1 1 d D . .
H29 H 0.546(4) 0.997(2) 0.282(3) 0.023(13) Uiso 1 1 d D . .
C30 C 0.4251(6) 0.8524(5) 0.2094(4) 0.0376(14) Uani 1 1 d D . .
H30 H 0.444(5) 0.882(4) 0.165(2) 0.042(16) Uiso 1 1 d D . .
C31 C 0.3206(6) 0.7499(5) 0.1956(4) 0.0373(14) Uani 1 1 d D . .
H31 H 0.287(4) 0.718(4) 0.1392(14) 0.026(13) Uiso 1 1 d D . .
C32 C 0.2630(5) 0.7024(5) 0.2550(3) 0.0322(13) Uani 1 1 d D . .
H32 H 0.185(3) 0.645(4) 0.235(2) 0.055(19) Uiso 1 1 d D . .
C01 C 0.0221(10) 0.8359(9) 0.5859(6) 0.107(4) Uani 1 1 d . . .
H01A H -0.0209 0.8888 0.5739 0.160 Uiso 1 1 calc R . .
H01B H -0.0092 0.7697 0.5392 0.160 Uiso 1 1 calc R . .
H01C H 0.1155 0.8715 0.5943 0.160 Uiso 1 1 calc R . .
C02 C 0.1624(8) 0.9774(6) 0.7760(7) 0.106(4) Uani 1 1 d . . .
H02A H 0.1238 1.0361 0.7801 0.158 Uiso 1 1 calc R . .
H02B H 0.2158 0.9849 0.7356 0.158 Uiso 1 1 calc R . .
H02C H 0.2161 0.9846 0.8302 0.158 Uiso 1 1 calc R . .
C03 C 0.0296(10) 0.8331(9) 0.8960(4) 0.108(4) Uani 1 1 d . . .
H03A H 0.1191 0.8839 0.9166 0.162 Uiso 1 1 calc R . .
H03B H 0.0191 0.7659 0.9170 0.162 Uiso 1 1 calc R . .
H03C H -0.0282 0.8705 0.9150 0.162 Uiso 1 1 calc R . .
C04 C -0.1960(9) 0.6126(8) 0.7822(7) 0.107(4) Uani 1 1 d . . .
H04A H -0.2620 0.6406 0.7995 0.160 Uiso 1 1 calc R . .
H04B H -0.1473 0.5966 0.8294 0.160 Uiso 1 1 calc R . .
H04C H -0.2375 0.5439 0.7378 0.160 Uiso 1 1 calc R . .
C05 C -0.2038(8) 0.6140(7) 0.5928(6) 0.106(4) Uani 1 1 d . . .
H05A H -0.2167 0.5395 0.6024 0.159 Uiso 1 1 calc R . .
H05B H -0.1705 0.6190 0.5430 0.159 Uiso 1 1 calc R . .
H05C H -0.2863 0.6270 0.5851 0.159 Uiso 1 1 calc R . .
C201 C 0.0682(8) 0.8710(8) 0.3954(5) 0.087(3) Uani 1 1 d . . .
H20A H -0.0142 0.8821 0.3972 0.131 Uiso 1 1 calc R . .
H20B H 0.1300 0.9099 0.4487 0.131 Uiso 1 1 calc R . .
H20C H 0.0551 0.7910 0.3845 0.131 Uiso 1 1 calc R . .
C202 C 0.2958(8) 1.1047(7) 0.4203(5) 0.095(3) Uani 1 1 d . . .
H20D H 0.3834 1.1455 0.4168 0.142 Uiso 1 1 calc R . .
H20E H 0.3001 1.0640 0.4636 0.142 Uiso 1 1 calc R . .
H20F H 0.2512 1.1577 0.4337 0.142 Uiso 1 1 calc R . .
C203 C 0.3309(8) 1.1369(7) 0.2397(7) 0.106(4) Uani 1 1 d . . .
H20G H 0.2903 1.1937 0.2361 0.160 Uiso 1 1 calc R . .
H20H H 0.3530 1.1142 0.1871 0.160 Uiso 1 1 calc R . .
H20I H 0.4094 1.1679 0.2844 0.160 Uiso 1 1 calc R . .
C204 C 0.1237(9) 0.9194(9) 0.1040(4) 0.097(3) Uani 1 1 d . . .
H20J H 0.0933 0.8389 0.0788 0.145 Uiso 1 1 calc R . .
H20K H 0.2052 0.9556 0.0901 0.145 Uiso 1 1 calc R . .
H20L H 0.0592 0.9508 0.0828 0.145 Uiso 1 1 calc R . .
C205 C -0.0397(7) 0.7582(6) 0.2010(6) 0.092(3) Uani 1 1 d . . .
H20M H -0.1189 0.7750 0.1861 0.138 Uiso 1 1 calc R . .
H20N H -0.0495 0.7113 0.2407 0.138 Uiso 1 1 calc R . .
H20O H -0.0234 0.7182 0.1512 0.138 Uiso 1 1 calc R . .
P1 P 0.5000 1.0000 1.0000 0.0477(6) Uani 1 2 d S . .
P2 P 0.0000 0.5000 1.0000 0.0517(7) Uani 1 2 d S . .
P3 P 0.6304(2) 0.6225(2) 0.33477(14) 0.0696(6) Uani 1 1 d . . .
O6 O 0.2403(12) 1.2096(11) 0.9922(10) 0.224(6) Uani 1 1 d . . .
C13 C 0.4357(18) 1.3471(16) 1.0803(9) 0.210(8) Uani 1 1 d . . .
H13A H 0.4177 1.4154 1.1002 0.315 Uiso 1 1 calc R . .
H13B H 0.5236 1.3669 1.0719 0.315 Uiso 1 1 calc R . .
H13C H 0.4275 1.3022 1.1213 0.315 Uiso 1 1 calc R . .
C14 C 0.3429(13) 1.2818(12) 1.0011(14) 0.157(7) Uani 1 1 d . . .
C15 C 0.3942(16) 1.2953(15) 0.9253(9) 0.184(7) Uani 1 1 d . . .
H15A H 0.3561 1.2248 0.8825 0.276 Uiso 1 1 calc R . .
H15B H 0.4882 1.3155 0.9398 0.276 Uiso 1 1 calc R . .
H15C H 0.3718 1.3544 0.9044 0.276 Uiso 1 1 calc R . .
F1 F 0.383(2) 1.031(2) 0.973(2) 0.220(10) Uani 0.60 1 d P A 1
F2 F 0.502(2) 1.0468(16) 1.0940(9) 0.134(8) Uani 0.60 1 d P A 1
F3 F 0.579(2) 1.1193(15) 0.9961(11) 0.126(8) Uani 0.60 1 d P A 1
F4 F 0.076(3) 0.6239(15) 0.9991(13) 0.127(11) Uani 0.65 1 d P B 1
F5 F -0.120(2) 0.530(2) 1.0053(14) 0.160(11) Uani 0.65 1 d P B 1
F6 F 0.0425(5) 0.5335(4) 1.0988(2) 0.0932(16) Uani 1 1 d . B .
F7 F 0.658(3) 0.7264(19) 0.2948(12) 0.184(11) Uani 0.60 1 d P C 1
F8 F 0.599(4) 0.539(3) 0.3876(19) 0.219(15) Uani 0.60 1 d P C 1
F9 F 0.609(2) 0.6947(18) 0.4132(10) 0.156(8) Uani 0.60 1 d P C 1
F10 F 0.655(3) 0.539(3) 0.2670(14) 0.27(2) Uani 0.60 1 d P C 1
F11 F 0.4954(13) 0.6002(18) 0.2831(15) 0.139(8) Uani 0.60 1 d P C 1
F12 F 0.7822(11) 0.6542(12) 0.3790(11) 0.127(5) Uani 0.60 1 d P C 1
F1A F 0.436(4) 1.076(2) 1.038(3) 0.157(11) Uani 0.40 1 d P A 2
F2A F 0.573(2) 1.013(2) 1.0897(11) 0.086(6) Uani 0.40 1 d P A 2
F3A F 0.620(2) 1.102(2) 0.9972(19) 0.109(12) Uani 0.40 1 d P A 2
F4A F 0.124(4) 0.594(3) 0.9977(15) 0.101(14) Uani 0.35 1 d P B 2
F5A F -0.082(6) 0.583(4) 1.0001(17) 0.14(2) Uani 0.35 1 d P B 2
F7A F 0.666(3) 0.7406(16) 0.359(4) 0.221(18) Uani 0.40 1 d P C 2
F8A F 0.597(6) 0.501(4) 0.337(4) 0.23(3) Uani 0.40 1 d P C 2
F9A F 0.499(3) 0.600(4) 0.364(3) 0.235(18) Uani 0.40 1 d P C 2
F10A F 0.707(3) 0.615(2) 0.2750(19) 0.161(14) Uani 0.40 1 d P C 2
F11A F 0.531(7) 0.571(6) 0.260(3) 0.36(4) Uani 0.40 1 d P C 2
F12A F 0.730(4) 0.648(6) 0.4051(16) 0.39(4) Uani 0.40 1 d P C 2
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'
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
C1 Ru1 C2 38.4(2) . .
C1 Ru1 C3 63.6(2) . .
C2 Ru1 C3 37.7(2) . .
C1 Ru1 C5 38.5(2) . .
C2 Ru1 C5 63.6(2) . .
C3 Ru1 C5 62.7(2) . .
C1 Ru1 C4 63.5(2) . .
C2 Ru1 C4 63.1(2) . .
C3 Ru1 C4 37.6(2) . .
C5 Ru1 C4 37.1(2) . .
C1 Ru1 C11 144.0(2) . .
C2 Ru1 C11 166.3(2) . .
C3 Ru1 C11 128.8(2) . .
C5 Ru1 C11 111.1(2) . .
C4 Ru1 C11 104.7(2) . .
C1 Ru1 C9 146.3(3) . .
C2 Ru1 C9 113.2(2) . .
C3 Ru1 C9 105.9(2) . .
C5 Ru1 C9 165.8(2) . .
C4 Ru1 C9 128.7(2) . .
C11 Ru1 C9 68.5(2) . .
C1 Ru1 C10 172.7(2) . .
C2 Ru1 C10 138.2(2) . .
C3 Ru1 C10 110.0(2) . .
C5 Ru1 C10 136.4(2) . .
C4 Ru1 C10 109.4(2) . .
C11 Ru1 C10 36.8(2) . .
C9 Ru1 C10 36.5(2) . .
C1 Ru1 C8 117.0(2) . .
C2 Ru1 C8 100.8(2) . .
C3 Ru1 C8 118.0(2) . .
C5 Ru1 C8 154.8(2) . .
C4 Ru1 C8 154.8(2) . .
C11 Ru1 C8 88.3(2) . .
C9 Ru1 C8 36.7(2) . .
C10 Ru1 C8 68.5(2) . .
C1 Ru1 C12 115.5(2) . .
C2 Ru1 C12 153.2(2) . .
C3 Ru1 C12 153.8(2) . .
C5 Ru1 C12 99.6(2) . .
C4 Ru1 C12 116.8(2) . .
C11 Ru1 C12 36.3(2) . .
C9 Ru1 C12 88.0(2) . .
C10 Ru1 C12 68.5(2) . .
C8 Ru1 C12 86.5(2) . .
C1 Ru1 C7 100.9(2) . .
C2 Ru1 C7 107.6(2) . .
C3 Ru1 C7 140.8(2) . .
C5 Ru1 C7 127.9(2) . .
C4 Ru1 C7 164.0(2) . .
C11 Ru1 C7 85.73(19) . .
C9 Ru1 C7 66.16(19) . .
C10 Ru1 C7 86.27(19) . .
C8 Ru1 C7 34.32(18) . .
C12 Ru1 C7 64.99(18) . .
C1 Ru1 C6 101.2(2) . .
C2 Ru1 C6 128.0(2) . .
C3 Ru1 C6 164.5(2) . .
C5 Ru1 C6 108.0(2) . .
C4 Ru1 C6 140.5(2) . .
C11 Ru1 C6 65.23(19) . .
C9 Ru1 C6 85.00(19) . .
C10 Ru1 C6 85.37(19) . .
C8 Ru1 C6 64.62(18) . .
C12 Ru1 C6 33.87(18) . .
C7 Ru1 C6 34.17(17) . .
C22 Ru2 C21 38.5(2) . .
C22 Ru2 C23 38.0(2) . .
C21 Ru2 C23 63.9(2) . .
C22 Ru2 C25 63.9(2) . .
C21 Ru2 C25 38.0(2) . .
C23 Ru2 C25 63.7(2) . .
C22 Ru2 C24 63.3(2) . .
C21 Ru2 C24 63.1(2) . .
C23 Ru2 C24 38.0(2) . .
C25 Ru2 C24 37.5(2) . .
C22 Ru2 C29 114.6(2) . .
C21 Ru2 C29 149.5(2) . .
C23 Ru2 C29 104.1(2) . .
C25 Ru2 C29 163.1(2) . .
C24 Ru2 C29 125.8(2) . .
C22 Ru2 C31 169.8(2) . .
C21 Ru2 C31 140.7(2) . .
C23 Ru2 C31 132.6(2) . .
C25 Ru2 C31 109.9(2) . .
C24 Ru2 C31 106.7(2) . .
C29 Ru2 C31 68.7(2) . .
C22 Ru2 C30 141.5(2) . .
C21 Ru2 C30 171.5(2) . .
C23 Ru2 C30 111.4(2) . .
C25 Ru2 C30 134.0(2) . .
C24 Ru2 C30 108.7(2) . .
C29 Ru2 C30 36.6(2) . .
C31 Ru2 C30 36.9(2) . .
C22 Ru2 C32 149.5(2) . .
C21 Ru2 C32 113.1(2) . .
C23 Ru2 C32 158.6(2) . .
C25 Ru2 C32 100.3(2) . .
C24 Ru2 C32 120.8(2) . .
C29 Ru2 C32 88.1(2) . .
C31 Ru2 C32 36.36(19) . .
C30 Ru2 C32 68.5(2) . .
C22 Ru2 C28 99.8(2) . .
C21 Ru2 C28 119.7(2) . .
C23 Ru2 C28 113.8(2) . .
C25 Ru2 C28 157.6(2) . .
C24 Ru2 C28 150.4(2) . .
C29 Ru2 C28 36.3(2) . .
C31 Ru2 C28 88.2(2) . .
C30 Ru2 C28 68.3(2) . .
C32 Ru2 C28 86.5(2) . .
C22 Ru2 C26 123.0(2) . .
C21 Ru2 C26 99.4(2) . .
C23 Ru2 C26 160.9(2) . .
C25 Ru2 C26 109.6(2) . .
C24 Ru2 C26 144.4(2) . .
C29 Ru2 C26 85.61(19) . .
C31 Ru2 C26 66.14(19) . .
C30 Ru2 C26 86.29(19) . .
C32 Ru2 C26 34.51(17) . .
C28 Ru2 C26 64.92(18) . .
C22 Ru2 C27 104.4(2) . .
C21 Ru2 C27 102.01(19) . .
C23 Ru2 C27 136.0(2) . .
C25 Ru2 C27 130.9(2) . .
C24 Ru2 C27 164.99(19) . .
C29 Ru2 C27 66.02(19) . .
C31 Ru2 C27 85.81(19) . .
C30 Ru2 C27 86.22(19) . .
C32 Ru2 C27 65.01(18) . .
C28 Ru2 C27 34.43(18) . .
C26 Ru2 C27 34.06(16) . .
O1 Cu1 O4 171.79(17) . .
O1 Cu1 O3 95.60(15) . .
O4 Cu1 O3 83.77(14) . .
O1 Cu1 O2 83.65(15) . .
O4 Cu1 O2 95.99(15) . .
O3 Cu1 O2 173.09(17) . .
O1 Cu1 O5 92.41(19) . .
O4 Cu1 O5 95.79(18) . .
O3 Cu1 O5 97.84(19) . .
O2 Cu1 O5 89.06(19) . .
C6 O1 Cu1 112.4(3) . .
C7 O2 Cu1 111.2(3) . .
C26 O3 Cu1 111.3(3) . .
C27 O4 Cu1 112.6(3) . .
Cu1 O5 H5A 115(8) . .
Cu1 O5 H5B 113(10) . .
H5A O5 H5B 119(10) . .
C2 C1 C5 107.0(5) . .
C2 C1 C01 126.8(7) . .
C5 C1 C01 126.2(7) . .
C2 C1 Ru1 71.5(3) . .
C5 C1 Ru1 71.7(3) . .
C01 C1 Ru1 123.7(5) . .
C3 C2 C1 107.5(5) . .
C3 C2 C02 126.3(7) . .
C1 C2 C02 126.1(7) . .
C3 C2 Ru1 71.3(3) . .
C1 C2 Ru1 70.0(3) . .
C02 C2 Ru1 126.0(4) . .
C2 C3 C4 108.8(5) . .
C2 C3 C03 126.4(7) . .
C4 C3 C03 124.8(7) . .
C2 C3 Ru1 71.0(3) . .
C4 C3 Ru1 71.7(3) . .
C03 C3 Ru1 125.2(5) . .
C5 C4 C3 108.3(6) . .
C5 C4 C04 125.8(7) . .
C3 C4 C04 125.8(7) . .
C5 C4 Ru1 71.1(4) . .
C3 C4 Ru1 70.8(3) . .
C04 C4 Ru1 126.2(5) . .
C4 C5 C1 108.4(5) . .
C4 C5 C05 125.6(7) . .
C1 C5 C05 126.0(7) . .
C4 C5 Ru1 71.8(4) . .
C1 C5 Ru1 69.7(3) . .
C05 C5 Ru1 125.5(5) . .
O1 C6 C12 118.6(5) . .
O1 C6 C7 115.0(5) . .
C12 C6 C7 125.3(5) . .
O1 C6 Ru1 135.3(4) . .
C12 C6 Ru1 63.4(3) . .
C7 C6 Ru1 72.0(3) . .
O2 C7 C8 118.8(5) . .
O2 C7 C6 115.9(5) . .
C8 C7 C6 124.8(5) . .
O2 C7 Ru1 133.9(4) . .
C8 C7 Ru1 63.8(3) . .
C6 C7 Ru1 73.8(3) . .
C9 C8 C7 131.9(5) . .
C9 C8 Ru1 70.5(3) . .
C7 C8 Ru1 81.8(3) . .
C9 C8 H8 112(3) . .
C7 C8 H8 116(3) . .
Ru1 C8 H8 118(3) . .
C10 C9 C8 128.6(5) . .
C10 C9 Ru1 72.1(3) . .
C8 C9 Ru1 72.9(3) . .
C10 C9 H9 118(3) . .
C8 C9 H9 113(3) . .
Ru1 C9 H9 124(3) . .
C9 C10 C11 126.9(5) . .
C9 C10 Ru1 71.5(3) . .
C11 C10 Ru1 71.2(3) . .
C9 C10 H10 117(3) . .
C11 C10 H10 116(3) . .
Ru1 C10 H10 130(3) . .
C12 C11 C10 128.8(5) . .
C12 C11 Ru1 73.5(3) . .
C10 C11 Ru1 72.0(3) . .
C12 C11 H11 114(3) . .
C10 C11 H11 116(3) . .
Ru1 C11 H11 122(3) . .
C11 C12 C6 131.5(5) . .
C11 C12 Ru1 70.2(3) . .
C6 C12 Ru1 82.8(3) . .
C11 C12 H12 115(4) . .
C6 C12 H12 113(4) . .
Ru1 C12 H12 128(4) . .
C25 C21 C22 107.8(5) . .
C25 C21 C201 125.7(7) . .
C22 C21 C201 126.4(7) . .
C25 C21 Ru2 71.5(3) . .
C22 C21 Ru2 70.5(3) . .
C201 C21 Ru2 125.0(4) . .
C23 C22 C21 108.1(5) . .
C23 C22 C202 126.8(7) . .
C21 C22 C202 125.0(7) . .
C23 C22 Ru2 71.6(3) . .
C21 C22 Ru2 71.0(3) . .
C202 C22 Ru2 124.9(4) . .
C22 C23 C24 107.1(5) . .
C22 C23 C203 125.6(7) . .
C24 C23 C203 127.2(7) . .
C22 C23 Ru2 70.4(3) . .
C24 C23 Ru2 71.2(3) . .
C203 C23 Ru2 126.0(5) . .
C25 C24 C23 109.3(5) . .
C25 C24 C204 125.3(7) . .
C23 C24 C204 125.4(7) . .
C25 C24 Ru2 71.2(4) . .
C23 C24 Ru2 70.9(3) . .
C204 C24 Ru2 125.2(4) . .
C24 C25 C21 107.6(5) . .
C24 C25 C205 126.8(7) . .
C21 C25 C205 125.4(7) . .
C24 C25 Ru2 71.3(4) . .
C21 C25 Ru2 70.5(3) . .
C205 C25 Ru2 127.0(5) . .
O3 C26 C32 118.3(5) . .
O3 C26 C27 116.0(4) . .
C32 C26 C27 125.0(5) . .
O3 C26 Ru2 134.6(4) . .
C32 C26 Ru2 63.7(3) . .
C27 C26 Ru2 73.0(3) . .
O4 C27 C28 118.6(5) . .
O4 C27 C26 115.7(4) . .
C28 C27 C26 125.1(5) . .
O4 C27 Ru2 134.7(4) . .
C28 C27 Ru2 63.9(3) . .
C26 C27 Ru2 72.9(3) . .
C29 C28 C27 131.6(5) . .
C29 C28 Ru2 69.7(3) . .
C27 C28 Ru2 81.6(3) . .
C29 C28 H28 117(3) . .
C27 C28 H28 111(3) . .
Ru2 C28 H28 124(3) . .
C30 C29 C28 129.8(5) . .
C30 C29 Ru2 72.8(3) . .
C28 C29 Ru2 73.9(3) . .
C30 C29 H29 114(3) . .
C28 C29 H29 116(3) . .
Ru2 C29 H29 127(3) . .
C29 C30 C31 126.5(5) . .
C29 C30 Ru2 70.7(3) . .
C31 C30 Ru2 71.4(3) . .
C29 C30 H30 112(4) . .
C31 C30 H30 120(4) . .
Ru2 C30 H30 123(4) . .
C32 C31 C30 128.0(5) . .
C32 C31 Ru2 72.8(3) . .
C30 C31 Ru2 71.7(3) . .
C32 C31 H31 121(3) . .
C30 C31 H31 111(3) . .
Ru2 C31 H31 129(3) . .
C31 C32 C26 132.4(5) . .
C31 C32 Ru2 70.8(3) . .
C26 C32 Ru2 81.8(3) . .
C31 C32 H32 117(2) . .
C26 C32 H32 111(2) . .
Ru2 C32 H32 122(4) . .
C1 C01 H01A 109.5 . .
C1 C01 H01B 109.5 . .
H01A C01 H01B 109.5 . .
C1 C01 H01C 109.5 . .
H01A C01 H01C 109.5 . .
H01B C01 H01C 109.5 . .
C2 C02 H02A 109.5 . .
C2 C02 H02B 109.5 . .
H02A C02 H02B 109.5 . .
C2 C02 H02C 109.5 . .
H02A C02 H02C 109.5 . .
H02B C02 H02C 109.5 . .
C3 C03 H03A 109.5 . .
C3 C03 H03B 109.5 . .
H03A C03 H03B 109.5 . .
C3 C03 H03C 109.5 . .
H03A C03 H03C 109.5 . .
H03B C03 H03C 109.5 . .
C4 C04 H04A 109.5 . .
C4 C04 H04B 109.5 . .
H04A C04 H04B 109.5 . .
C4 C04 H04C 109.5 . .
H04A C04 H04C 109.5 . .
H04B C04 H04C 109.5 . .
C5 C05 H05A 109.5 . .
C5 C05 H05B 109.5 . .
H05A C05 H05B 109.5 . .
C5 C05 H05C 109.5 . .
H05A C05 H05C 109.5 . .
H05B C05 H05C 109.5 . .
C21 C201 H20A 109.5 . .
C21 C201 H20B 109.5 . .
H20A C201 H20B 109.5 . .
C21 C201 H20C 109.5 . .
H20A C201 H20C 109.5 . .
H20B C201 H20C 109.5 . .
C22 C202 H20D 109.5 . .
C22 C202 H20E 109.5 . .
H20D C202 H20E 109.5 . .
C22 C202 H20F 109.5 . .
H20D C202 H20F 109.5 . .
H20E C202 H20F 109.5 . .
C23 C203 H20G 109.5 . .
C23 C203 H20H 109.5 . .
H20G C203 H20H 109.5 . .
C23 C203 H20I 109.5 . .
H20G C203 H20I 109.5 . .
H20H C203 H20I 109.5 . .
C24 C204 H20J 109.5 . .
C24 C204 H20K 109.5 . .
H20J C204 H20K 109.5 . .
C24 C204 H20L 109.5 . .
H20J C204 H20L 109.5 . .
H20K C204 H20L 109.5 . .
C25 C205 H20M 109.5 . .
C25 C205 H20N 109.5 . .
H20M C205 H20N 109.5 . .
C25 C205 H20O 109.5 . .
H20M C205 H20O 109.5 . .
H20N C205 H20O 109.5 . .
F1A P1 F1A 180.00(3) . 2_677
F1A P1 F1 43.3(11) . .
F1A P1 F1 136.7(11) 2_677 .
F1A P1 F1 136.7(11) . 2_677
F1A P1 F1 43.3(11) 2_677 2_677
F1 P1 F1 180.00(2) . 2_677
F1A P1 F3 106.2(14) . 2_677
F1A P1 F3 73.8(14) 2_677 2_677
F1 P1 F3 94.8(12) . 2_677
F1 P1 F3 85.2(12) 2_677 2_677
F1A P1 F3 73.8(14) . .
F1A P1 F3 106.2(14) 2_677 .
F1 P1 F3 85.2(12) . .
F1 P1 F3 94.8(12) 2_677 .
F3 P1 F3 180.000(8) 2_677 .
F1A P1 F2A 86.5(12) . .
F1A P1 F2A 93.5(12) 2_677 .
F1 P1 F2A 127.9(9) . .
F1 P1 F2A 52.1(9) 2_677 .
F3 P1 F2A 85.7(10) 2_677 .
F3 P1 F2A 94.3(10) . .
F1A P1 F2A 93.5(12) . 2_677
F1A P1 F2A 86.5(12) 2_677 2_677
F1 P1 F2A 52.1(9) . 2_677
F1 P1 F2A 127.9(9) 2_677 2_677
F3 P1 F2A 94.3(10) 2_677 2_677
F3 P1 F2A 85.7(10) . 2_677
F2A P1 F2A 180.000(9) . 2_677
F1A P1 F2 130.5(10) . 2_677
F1A P1 F2 49.5(10) 2_677 2_677
F1 P1 F2 89.9(10) . 2_677
F1 P1 F2 90.1(10) 2_677 2_677
F3 P1 F2 89.8(9) 2_677 2_677
F3 P1 F2 90.2(9) . 2_677
F2A P1 F2 142.2(8) . 2_677
F2A P1 F2 37.8(8) 2_677 2_677
F1A P1 F2 49.5(10) . .
F1A P1 F2 130.5(10) 2_677 .
F1 P1 F2 90.1(10) . .
F1 P1 F2 89.9(10) 2_677 .
F3 P1 F2 90.2(9) 2_677 .
F3 P1 F2 89.8(9) . .
F2A P1 F2 37.8(8) . .
F2A P1 F2 142.2(8) 2_677 .
F2 P1 F2 180.000(9) 2_677 .
F1A P1 F3A 87.3(17) . 2_677
F1A P1 F3A 92.7(17) 2_677 2_677
F1 P1 F3A 74.4(15) . 2_677
F1 P1 F3A 105.6(15) 2_677 2_677
F3 P1 F3A 21.2(16) 2_677 2_677
F3 P1 F3A 158.8(16) . 2_677
F2A P1 F3A 93.9(13) . 2_677
F2A P1 F3A 86.1(13) 2_677 2_677
F2 P1 F3A 95.2(12) 2_677 2_677
F2 P1 F3A 84.8(12) . 2_677
F1A P1 F3A 92.7(17) . .
F1A P1 F3A 87.3(17) 2_677 .
F1 P1 F3A 105.6(15) . .
F1 P1 F3A 74.4(15) 2_677 .
F3 P1 F3A 158.8(16) 2_677 .
F3 P1 F3A 21.2(16) . .
F2A P1 F3A 86.1(13) . .
F2A P1 F3A 93.9(13) 2_677 .
F2 P1 F3A 84.8(12) 2_677 .
F2 P1 F3A 95.2(12) . .
F3A P1 F3A 180.000(5) 2_677 .
F5 P2 F5 180.0(18) 2_567 .
F5 P2 F4A 118.1(17) 2_567 2_567
F5 P2 F4A 61.9(17) . 2_567
F5 P2 F4A 61.9(17) 2_567 .
F5 P2 F4A 118.1(17) . .
F4A P2 F4A 180.000(4) 2_567 .
F5 P2 F4 90.3(11) 2_567 2_567
F5 P2 F4 89.7(11) . 2_567
F4A P2 F4 27.8(18) 2_567 2_567
F4A P2 F4 152.2(18) . 2_567
F5 P2 F4 89.7(11) 2_567 .
F5 P2 F4 90.3(11) . .
F4A P2 F4 152.2(18) 2_567 .
F4A P2 F4 27.8(18) . .
F4 P2 F4 180.000(8) 2_567 .
F5 P2 F6 91.0(9) 2_567 .
F5 P2 F6 89.0(9) . .
F4A P2 F6 90.3(9) 2_567 .
F4A P2 F6 89.7(9) . .
F4 P2 F6 90.3(8) 2_567 .
F4 P2 F6 89.7(8) . .
F5 P2 F6 89.0(9) 2_567 2_567
F5 P2 F6 91.0(9) . 2_567
F4A P2 F6 89.7(9) 2_567 2_567
F4A P2 F6 90.3(9) . 2_567
F4 P2 F6 89.7(8) 2_567 2_567
F4 P2 F6 90.3(8) . 2_567
F6 P2 F6 180.000(2) . 2_567
F5 P2 F5A 26(2) 2_567 2_567
F5 P2 F5A 154(2) . 2_567
F4A P2 F5A 92(2) 2_567 2_567
F4A P2 F5A 88.2(19) . 2_567
F4 P2 F5A 64.0(19) 2_567 2_567
F4 P2 F5A 116(2) . 2_567
F6 P2 F5A 88.4(10) . 2_567
F6 P2 F5A 91.6(10) 2_567 2_567
F5 P2 F5A 154(2) 2_567 .
F5 P2 F5A 26(2) . .
F4A P2 F5A 88.2(19) 2_567 .
F4A P2 F5A 92(2) . .
F4 P2 F5A 116(2) 2_567 .
F4 P2 F5A 64.0(19) . .
F6 P2 F5A 91.6(10) . .
F6 P2 F5A 88.4(10) 2_567 .
F5A P2 F5A 180.00(5) 2_567 .
F12A P3 F7A 79(3) . .
F12A P3 F11A 167(4) . .
F7A P3 F11A 114(3) . .
F12A P3 F10A 96.6(18) . .
F7A P3 F10A 99(2) . .
F11A P3 F10A 79(4) . .
F12A P3 F8A 88(4) . .
F7A P3 F8A 162(3) . .
F11A P3 F8A 80(4) . .
F10A P3 F8A 94.4(17) . .
F12A P3 F8 68(3) . .
F7A P3 F8 128(3) . .
F11A P3 F8 103(3) . .
F10A P3 F8 123.0(17) . .
F8A P3 F8 34(2) . .
F12A P3 F11 158.7(17) . .
F7A P3 F11 96.6(15) . .
F11A P3 F11 29(4) . .
F10A P3 F11 104.6(17) . .
F8A P3 F11 91(3) . .
F8 P3 F11 100.1(16) . .
F12A P3 F10 107(2) . .
F7A P3 F10 135(3) . .
F11A P3 F10 62(4) . .
F10A P3 F10 36.7(17) . .
F8A P3 F10 60.3(19) . .
F8 P3 F10 93(2) . .
F11 P3 F10 91.2(11) . .
F12A P3 F9 67(2) . .
F7A P3 F9 52(2) . .
F11A P3 F9 122(4) . .
F10A P3 F9 148.2(15) . .
F8A P3 F9 112(2) . .
F8 P3 F9 78.0(16) . .
F11 P3 F9 93.2(11) . .
F10 P3 F9 170.8(17) . .
F12A P3 F7 108(3) . .
F7A P3 F7 41(2) . .
F11A P3 F7 82(3) . .
F10A P3 F7 67.9(13) . .
F8A P3 F7 157(2) . .
F8 P3 F7 168.2(16) . .
F11 P3 F7 79.9(14) . .
F10 P3 F7 98.5(18) . .
F9 P3 F7 90.2(10) . .
F12A P3 F9A 107(2) . .
F7A P3 F9A 94(2) . .
F11A P3 F9A 76(3) . .
F10A P3 F9A 155(2) . .
F8A P3 F9A 78(2) . .
F8 P3 F9A 61.3(17) . .
F11 P3 F9A 51.9(15) . .
F10 P3 F9A 124(2) . .
F9 P3 F9A 54.1(16) . .
F7 P3 F9A 111.3(18) . .
F12A P3 F12 28.7(14) . .
F7A P3 F12 80.7(14) . .
F11A P3 F12 146(4) . .
F10A P3 F12 68.2(14) . .
F8A P3 F12 93(3) . .
F8 P3 F12 87.8(15) . .
F11 P3 F12 171.6(12) . .
F10 P3 F12 85.2(10) . .
F9 P3 F12 91.4(10) . .
F7 P3 F12 93.0(12) . .
F9A P3 F12 136.0(18) . .
C14 C13 H13A 109.5 . .
C14 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C14 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
O6 C14 C13 127(2) . .
O6 C14 C15 118(2) . .
C13 C14 C15 114.5(13) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
P3 F7A F12A 50.1(19) . .
P3 F12A F7A 51.1(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 2.155(6) .
Ru1 C2 2.175(6) .
Ru1 C3 2.178(6) .
Ru1 C5 2.181(6) .
Ru1 C4 2.190(6) .
Ru1 C11 2.223(6) .
Ru1 C9 2.226(6) .
Ru1 C10 2.233(6) .
Ru1 C8 2.257(6) .
Ru1 C12 2.266(5) .
Ru1 C7 2.489(5) .
Ru1 C6 2.514(5) .
Ru2 C22 2.165(6) .
Ru2 C21 2.171(5) .
Ru2 C23 2.182(6) .
Ru2 C25 2.184(6) .
Ru2 C24 2.186(6) .
Ru2 C29 2.209(6) .
Ru2 C31 2.232(5) .
Ru2 C30 2.237(6) .
Ru2 C32 2.258(5) .
Ru2 C28 2.263(5) .
Ru2 C26 2.492(5) .
Ru2 C27 2.493(5) .
Cu1 O1 1.920(3) .
Cu1 O4 1.925(4) .
Cu1 O3 1.947(3) .
Cu1 O2 1.948(4) .
Cu1 O5 2.383(5) .
O1 C6 1.293(6) .
O2 C7 1.286(6) .
O3 C26 1.295(6) .
O4 C27 1.284(6) .
O5 H5A 0.84(2) .
O5 H5B 0.84(2) .
C1 C2 1.425(9) .
C1 C5 1.431(9) .
C1 C01 1.507(9) .
C2 C3 1.405(9) .
C2 C02 1.515(9) .
C3 C4 1.406(9) .
C3 C03 1.526(9) .
C4 C5 1.390(9) .
C4 C04 1.523(9) .
C5 C05 1.506(9) .
C6 C12 1.413(7) .
C6 C7 1.470(7) .
C7 C8 1.418(7) .
C8 C9 1.410(8) .
C8 H8 0.93(2) .
C9 C10 1.395(8) .
C9 H9 0.92(2) .
C10 C11 1.406(8) .
C10 H10 0.93(2) .
C11 C12 1.400(8) .
C11 H11 0.95(2) .
C12 H12 0.92(2) .
C21 C25 1.419(9) .
C21 C22 1.429(9) .
C21 C201 1.502(9) .
C22 C23 1.416(9) .
C22 C202 1.504(9) .
C23 C24 1.421(9) .
C23 C203 1.503(9) .
C24 C25 1.404(9) .
C24 C204 1.511(9) .
C25 C205 1.507(9) .
C26 C32 1.426(7) .
C26 C27 1.460(7) .
C27 C28 1.425(7) .
C28 C29 1.396(8) .
C28 H28 0.91(2) .
C29 C30 1.395(8) .
C29 H29 0.93(2) .
C30 C31 1.413(8) .
C30 H30 0.92(2) .
C31 C32 1.401(8) .
C31 H31 0.92(2) .
C32 H32 0.914(19) .
C01 H01A 0.9700 .
C01 H01B 0.9700 .
C01 H01C 0.9700 .
C02 H02A 0.9700 .
C02 H02B 0.9700 .
C02 H02C 0.9700 .
C03 H03A 0.9700 .
C03 H03B 0.9700 .
C03 H03C 0.9700 .
C04 H04A 0.9700 .
C04 H04B 0.9700 .
C04 H04C 0.9700 .
C05 H05A 0.9700 .
C05 H05B 0.9700 .
C05 H05C 0.9700 .
C201 H20A 0.9700 .
C201 H20B 0.9700 .
C201 H20C 0.9700 .
C202 H20D 0.9700 .
C202 H20E 0.9700 .
C202 H20F 0.9700 .
C203 H20G 0.9700 .
C203 H20H 0.9700 .
C203 H20I 0.9700 .
C204 H20J 0.9700 .
C204 H20K 0.9700 .
C204 H20L 0.9700 .
C205 H20M 0.9700 .
C205 H20N 0.9700 .
C205 H20O 0.9700 .
P1 F1A 1.481(17) .
P1 F1A 1.481(18) 2_677
P1 F1 1.500(14) .
P1 F1 1.500(14) 2_677
P1 F3 1.534(15) 2_677
P1 F3 1.534(15) .
P1 F2A 1.534(14) .
P1 F2A 1.534(14) 2_677
P1 F2 1.571(10) 2_677
P1 F2 1.571(10) .
P1 F3A 1.57(2) 2_677
P1 F3A 1.57(2) .
P2 F5 1.506(19) 2_567
P2 F5 1.506(19) .
P2 F4A 1.53(2) 2_567
P2 F4A 1.53(2) .
P2 F4 1.560(17) 2_567
P2 F4 1.560(17) .
P2 F6 1.580(4) .
P2 F6 1.580(4) 2_567
P2 F5A 1.59(3) 2_567
P2 F5A 1.59(3) .
P3 F12A 1.38(2) .
P3 F7A 1.404(18) .
P3 F11A 1.42(4) .
P3 F10A 1.424(14) .
P3 F8A 1.49(4) .
P3 F8 1.51(2) .
P3 F11 1.512(12) .
P3 F10 1.527(15) .
P3 F9 1.560(11) .
P3 F7 1.568(15) .
P3 F9A 1.58(2) .
P3 F12 1.614(12) .
O6 C14 1.194(14) .
C13 C14 1.46(2) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C13 H13C 0.9700 .
C14 C15 1.49(2) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 H15C 0.9700 .
F7A F12A 1.77(6) .
