#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:39:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178718 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/29/4082930.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_4082930
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            'C38 H46 Cu F12 N2 O4 P2 Ru2'
_chemical_formula_weight         1150.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.367(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.8503(4)
_cell_length_b                   11.5967(4)
_cell_length_c                   15.6206(4)
_cell_measurement_reflns_used    14987
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.0
_cell_volume                     2167.80(12)
_computing_cell_refinement       'DENZO and SCALEPACK'
_computing_data_collection       COLLECT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0502
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13675
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.70
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.341
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1150
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.852
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    'mixed, refined at cycloheptatrienyl-ring'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         3829
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0363
_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)+(0.0599P)²+0.3698P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.1079
_reflns_number_gt                2428
_reflns_number_total             3829
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om401200t_si_002.cif
_cod_data_source_block           10
_cod_depositor_comments          'Adding full bibliography for 4082930.cif.'
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4082930
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
N1 N 0.3478(9) 0.4968(6) 0.9265(5) 0.178(4) Uani 1 1 d . . .
C14 C 0.3434(6) 0.4169(6) 0.9649(5) 0.098(2) Uani 1 1 d . . .
C15 C 0.3351(6) 0.3188(5) 1.0127(5) 0.0979(19) Uani 1 1 d . . .
H15A H 0.3708 0.3323 1.0775 0.147 Uiso 1 1 calc R . .
H15B H 0.3710 0.2554 0.9950 0.147 Uiso 1 1 calc R . .
H15C H 0.2577 0.3007 0.9987 0.147 Uiso 1 1 calc R . .
Ru1 Ru 0.72509(3) 0.18804(3) 0.87602(2) 0.05002(16) Uani 1 1 d . . .
Cu1 Cu 0.5000 0.0000 1.0000 0.0661(3) Uani 1 2 d S . .
O1 O 0.5371(3) 0.1576(3) 0.9897(2) 0.0674(9) Uani 1 1 d . . .
O2 O 0.5353(3) -0.0213(3) 0.8915(2) 0.0664(9) Uani 1 1 d . . .
C1 C 0.8452(4) 0.1585(4) 1.0140(3) 0.0640(13) Uani 1 1 d . . .
C2 C 0.8475(4) 0.0631(4) 0.9574(3) 0.0612(12) Uani 1 1 d . . .
C3 C 0.8799(4) 0.1024(4) 0.8851(3) 0.0602(12) Uani 1 1 d . . .
C4 C 0.9003(4) 0.2245(4) 0.8985(3) 0.0630(13) Uani 1 1 d . . .
C5 C 0.8781(4) 0.2588(4) 0.9769(3) 0.0676(13) Uani 1 1 d . . .
C6 C 0.5552(4) 0.1779(4) 0.9145(3) 0.0582(12) Uani 1 1 d . . .
C7 C 0.5549(3) 0.0752(5) 0.8593(3) 0.0591(12) Uani 1 1 d . . .
C8 C 0.5882(4) 0.0739(5) 0.7825(3) 0.0654(13) Uani 1 1 d D . .
H8 H 0.598(3) 0.000(2) 0.765(3) 0.045(12) Uiso 1 1 d D . .
C9 C 0.6103(4) 0.1655(6) 0.7318(3) 0.0754(17) Uani 1 1 d D . .
H9 H 0.628(4) 0.140(4) 0.683(2) 0.061(14) Uiso 1 1 d D . .
C10 C 0.6182(5) 0.2852(6) 0.7511(4) 0.0768(16) Uani 1 1 d D . .
H10 H 0.641(4) 0.323(4) 0.709(3) 0.083(17) Uiso 1 1 d D . .
C11 C 0.6102(5) 0.3388(5) 0.8255(4) 0.0710(15) Uani 1 1 d D . .
H11 H 0.631(4) 0.416(2) 0.836(3) 0.091(19) Uiso 1 1 d D . .
C12 C 0.5873(4) 0.2898(4) 0.8996(4) 0.0641(13) Uani 1 1 d D . .
H12 H 0.598(4) 0.340(3) 0.947(2) 0.053(13) Uiso 1 1 d D . .
C01 C 0.8174(6) 0.1546(6) 1.0985(4) 0.103(2) Uani 1 1 d . . .
H01A H 0.8229 0.2307 1.1239 0.155 Uiso 1 1 calc . . .
H01B H 0.8687 0.1043 1.1428 0.155 Uiso 1 1 calc . . .
H01C H 0.7426 0.1263 1.0833 0.155 Uiso 1 1 calc . . .
C02 C 0.8201(5) -0.0601(5) 0.9736(4) 0.0929(18) Uani 1 1 d . . .
H02A H 0.8036 -0.0639 1.0287 0.139 Uiso 1 1 calc . . .
H02B H 0.8830 -0.1087 0.9799 0.139 Uiso 1 1 calc . . .
H02C H 0.7564 -0.0858 0.9223 0.139 Uiso 1 1 calc . . .
C03 C 0.8975(5) 0.0285(6) 0.8117(4) 0.101(2) Uani 1 1 d . . .
H03A H 0.9206 0.0764 0.7716 0.152 Uiso 1 1 calc . . .
H03B H 0.8290 -0.0097 0.7767 0.152 Uiso 1 1 calc . . .
H03C H 0.9543 -0.0279 0.8401 0.152 Uiso 1 1 calc . . .
C04 C 0.9504(5) 0.2998(6) 0.8451(5) 0.114(3) Uani 1 1 d . . .
H04A H 0.9564 0.2567 0.7946 0.171 Uiso 1 1 calc . . .
H04B H 1.0233 0.3248 0.8846 0.171 Uiso 1 1 calc . . .
H04C H 0.9035 0.3658 0.8220 0.171 Uiso 1 1 calc . . .
C05 C 0.8921(5) 0.3769(5) 1.0181(5) 0.109(2) Uani 1 1 d . . .
H05A H 0.9141 0.4295 0.9803 0.164 Uiso 1 1 calc . . .
H05B H 0.9486 0.3750 1.0786 0.164 Uiso 1 1 calc . . .
H05C H 0.8227 0.4019 1.0218 0.164 Uiso 1 1 calc . . .
P1 P 0.22080(12) 0.15441(13) 0.74296(10) 0.0700(4) Uani 1 1 d . . .
F1 F 0.2987(17) 0.083(2) 0.8263(12) 0.167(9) Uani 0.50 1 d P A 1
F2 F 0.1335(17) 0.2265(18) 0.6638(14) 0.156(9) Uani 0.50 1 d P A 1
F3 F 0.2296(18) 0.0620(17) 0.6826(18) 0.217(12) Uani 0.50 1 d P A 1
F4 F 0.188(2) 0.2644(12) 0.7900(15) 0.164(7) Uani 0.50 1 d P A 1
F5 F 0.3244(15) 0.2196(19) 0.7378(11) 0.126(8) Uani 0.50 1 d P A 1
F6 F 0.1166(12) 0.0907(17) 0.7492(14) 0.112(7) Uani 0.50 1 d P A 1
F1A F 0.2882(18) 0.121(2) 0.8435(9) 0.135(8) Uani 0.50 1 d P A 2
F2A F 0.1614(14) 0.1886(17) 0.6422(10) 0.119(7) Uani 0.50 1 d P A 2
F3A F 0.3022(19) 0.083(2) 0.7063(11) 0.190(9) Uani 0.50 1 d P A 2
F4A F 0.162(2) 0.210(2) 0.793(2) 0.245(12) Uani 0.50 1 d P A 2
F5A F 0.3016(18) 0.256(2) 0.7587(17) 0.166(9) Uani 0.50 1 d P A 2
F6A F 0.1383(19) 0.0552(19) 0.7283(16) 0.180(11) Uani 0.50 1 d P A 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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 '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
N1 C14 C15 178.3(10) . .
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 . .
C1 Ru1 C2 38.21(17) . .
C1 Ru1 C3 64.05(18) . .
C2 Ru1 C3 37.87(17) . .
C1 Ru1 C5 38.35(19) . .
C2 Ru1 C5 63.84(18) . .
C3 Ru1 C5 64.16(19) . .
C1 Ru1 C4 63.50(18) . .
C2 Ru1 C4 63.39(17) . .
C3 Ru1 C4 38.49(18) . .
C5 Ru1 C4 37.68(18) . .
C1 Ru1 C9 163.8(2) . .
C2 Ru1 C9 126.0(2) . .
C3 Ru1 C9 105.5(2) . .
C5 Ru1 C9 150.5(2) . .
C4 Ru1 C9 116.84(19) . .
C1 Ru1 C11 127.7(2) . .
C2 Ru1 C11 165.9(2) . .
C3 Ru1 C11 147.9(2) . .
C5 Ru1 C11 105.4(2) . .
C4 Ru1 C11 114.4(2) . .
C9 Ru1 C11 67.9(2) . .
C1 Ru1 C10 158.8(2) . .
C2 Ru1 C10 158.1(2) . .
C3 Ru1 C10 122.8(2) . .
C5 Ru1 C10 123.0(2) . .
C4 Ru1 C10 108.1(2) . .
C9 Ru1 C10 37.1(2) . .
C11 Ru1 C10 35.2(2) . .
C1 Ru1 C8 130.8(2) . .
C2 Ru1 C8 102.4(2) . .
C3 Ru1 C8 104.61(19) . .
C5 Ru1 C8 166.2(2) . .
C4 Ru1 C8 136.85(19) . .
C9 Ru1 C8 36.8(2) . .
C11 Ru1 C8 88.4(2) . .
C10 Ru1 C8 69.2(2) . .
C1 Ru1 C12 103.6(2) . .
C2 Ru1 C12 133.87(19) . .
C3 Ru1 C12 166.96(18) . .
C5 Ru1 C12 103.8(2) . .
C4 Ru1 C12 133.8(2) . .
C9 Ru1 C12 87.5(2) . .
C11 Ru1 C12 36.5(2) . .
C10 Ru1 C12 67.2(2) . .
C8 Ru1 C12 86.56(19) . .
C1 Ru1 C6 97.02(18) . .
C2 Ru1 C6 109.96(17) . .
C3 Ru1 C6 145.97(17) . .
C5 Ru1 C6 119.05(19) . .
C4 Ru1 C6 156.71(18) . .
C9 Ru1 C6 85.50(18) . .
C11 Ru1 C6 66.10(19) . .
C10 Ru1 C6 85.4(2) . .
C8 Ru1 C6 65.20(17) . .
C12 Ru1 C6 34.22(16) . .
C1 Ru1 C7 107.58(17) . .
C2 Ru1 C7 97.62(17) . .
C3 Ru1 C7 121.01(19) . .
C5 Ru1 C7 143.37(18) . .
C4 Ru1 C7 159.17(18) . .
C9 Ru1 C7 66.10(19) . .
C11 Ru1 C7 86.1(2) . .
C10 Ru1 C7 86.33(19) . .
C8 Ru1 C7 34.28(16) . .
C12 Ru1 C7 65.23(18) . .
C6 Ru1 C7 34.57(14) . .
O1 Cu1 O1 180.000(1) 3_657 .
O1 Cu1 O2 84.43(13) 3_657 3_657
O1 Cu1 O2 95.57(13) . 3_657
O1 Cu1 O2 95.57(13) 3_657 .
O1 Cu1 O2 84.43(13) . .
O2 Cu1 O2 180.000(1) 3_657 .
C6 O1 Cu1 112.5(3) . .
C7 O2 Cu1 112.0(3) . .
C2 C1 C5 107.7(4) . .
C2 C1 C01 126.4(5) . .
C5 C1 C01 125.9(5) . .
C2 C1 Ru1 71.0(3) . .
C5 C1 Ru1 71.2(2) . .
C01 C1 Ru1 124.8(4) . .
C3 C2 C1 108.9(4) . .
C3 C2 C02 126.2(5) . .
C1 C2 C02 124.9(5) . .
C3 C2 Ru1 71.3(2) . .
C1 C2 Ru1 70.8(3) . .
C02 C2 Ru1 124.2(3) . .
C2 C3 C4 106.9(4) . .
C2 C3 C03 126.3(5) . .
C4 C3 C03 126.6(5) . .
C2 C3 Ru1 70.9(3) . .
C4 C3 Ru1 71.1(3) . .
C03 C3 Ru1 126.4(3) . .
C5 C4 C3 108.7(4) . .
C5 C4 C04 125.4(5) . .
C3 C4 C04 125.5(5) . .
C5 C4 Ru1 70.9(3) . .
C3 C4 Ru1 70.4(2) . .
C04 C4 Ru1 130.2(4) . .
C4 C5 C1 107.7(5) . .
C4 C5 C05 126.9(5) . .
C1 C5 C05 125.2(5) . .
C4 C5 Ru1 71.4(3) . .
C1 C5 Ru1 70.4(3) . .
C05 C5 Ru1 126.2(4) . .
O1 C6 C12 118.5(4) . .
O1 C6 C7 114.9(4) . .
C12 C6 C7 126.0(5) . .
O1 C6 Ru1 134.0(3) . .
C12 C6 Ru1 65.0(3) . .
C7 C6 Ru1 73.1(2) . .
O2 C7 C8 119.0(5) . .
O2 C7 C6 115.6(4) . .
C8 C7 C6 124.8(5) . .
O2 C7 Ru1 135.0(3) . .
C8 C7 Ru1 64.3(3) . .
C6 C7 Ru1 72.4(3) . .
C7 C8 C9 130.7(5) . .
C7 C8 Ru1 81.4(3) . .
C9 C8 Ru1 69.8(3) . .
C7 C8 H8 113(3) . .
C9 C8 H8 117(3) . .
Ru1 C8 H8 125(3) . .
C8 C9 C10 129.1(5) . .
C8 C9 Ru1 73.4(3) . .
C10 C9 Ru1 72.5(3) . .
C8 C9 H9 112(3) . .
C10 C9 H9 118(3) . .
Ru1 C9 H9 128(3) . .
C11 C10 C9 127.6(5) . .
C11 C10 Ru1 72.4(3) . .
C9 C10 Ru1 70.5(3) . .
C11 C10 H10 122(3) . .
C9 C10 H10 110(3) . .
Ru1 C10 H10 127(3) . .
C10 C11 C12 128.4(6) . .
C10 C11 Ru1 72.4(3) . .
C12 C11 Ru1 72.8(3) . .
C10 C11 H11 119(3) . .
C12 C11 H11 112(3) . .
Ru1 C11 H11 125(4) . .
C6 C12 C11 131.9(5) . .
C6 C12 Ru1 80.8(3) . .
C11 C12 Ru1 70.6(3) . .
C6 C12 H12 115(3) . .
C11 C12 H12 113(3) . .
Ru1 C12 H12 125(3) . .
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 . .
F4A P1 F3 150.3(12) . .
F4A P1 F6A 86.8(12) . .
F3 P1 F6A 64.0(11) . .
F4A P1 F2A 106.2(14) . .
F3 P1 F2A 69.7(13) . .
F6A P1 F2A 89.0(12) . .
F4A P1 F5A 91.6(13) . .
F3 P1 F5A 117.5(11) . .
F6A P1 F5A 178.4(14) . .
F2A P1 F5A 91.2(12) . .
F4A P1 F1A 76.7(16) . .
F3 P1 F1A 109.1(13) . .
F6A P1 F1A 93.8(13) . .
F2A P1 F1A 176.1(11) . .
F5A P1 F1A 86.1(13) . .
F4A P1 F5 116.3(12) . .
F3 P1 F5 93.1(10) . .
F6A P1 F5 156.8(13) . .
F2A P1 F5 86.3(9) . .
F5A P1 F5 24.8(12) . .
F1A P1 F5 90.0(11) . .
F4A P1 F1 95.3(15) . .
F3 P1 F1 88.4(14) . .
F6A P1 F1 85.7(13) . .
F2A P1 F1 157.5(11) . .
F5A P1 F1 94.8(13) . .
F1A P1 F1 20.7(13) . .
F5 P1 F1 90.0(11) . .
F4A P1 F6 62.7(11) . .
F3 P1 F6 87.9(9) . .
F6A P1 F6 24.2(11) . .
F2A P1 F6 94.0(10) . .
F5A P1 F6 154.2(11) . .
F1A P1 F6 89.7(12) . .
F5 P1 F6 179.0(11) . .
F1 P1 F6 90.0(12) . .
F4A P1 F2 79.6(15) . .
F3 P1 F2 94.8(12) . .
F6A P1 F2 91.5(12) . .
F2A P1 F2 26.9(9) . .
F5A P1 F2 88.0(12) . .
F1A P1 F2 155.4(11) . .
F5 P1 F2 94.6(10) . .
F1 P1 F2 174.2(11) . .
F6 P1 F2 85.3(10) . .
F4A P1 F3A 168.9(15) . .
F3 P1 F3A 34.1(9) . .
F6A P1 F3A 93.9(14) . .
F2A P1 F3A 84.9(7) . .
F5A P1 F3A 87.7(10) . .
F1A P1 F3A 92.2(9) . .
F5 P1 F3A 63.1(12) . .
F1 P1 F3A 73.7(10) . .
F6 P1 F3A 117.9(12) . .
F2 P1 F3A 111.5(9) . .
F4A P1 F4 26.7(13) . .
F3 P1 F4 167.4(14) . .
F6A P1 F4 112.6(12) . .
F2A P1 F4 98.6(11) . .
F5A P1 F4 65.9(11) . .
F1A P1 F4 82.9(11) . .
F5 P1 F4 90.7(10) . .
F1 P1 F4 103.6(12) . .
F6 P1 F4 88.4(10) . .
F2 P1 F4 72.9(12) . .
F3A P1 F4 153.3(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C14 1.117(8) .
C14 C15 1.386(8) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
Ru1 C1 2.173(4) .
Ru1 C2 2.176(4) .
Ru1 C3 2.181(4) .
Ru1 C5 2.183(5) .
Ru1 C4 2.189(4) .
Ru1 C9 2.213(5) .
Ru1 C11 2.238(5) .
Ru1 C10 2.238(5) .
Ru1 C8 2.260(5) .
Ru1 C12 2.267(5) .
Ru1 C6 2.469(5) .
Ru1 C7 2.479(5) .
Cu1 O1 1.910(3) 3_657
Cu1 O1 1.910(3) .
Cu1 O2 1.923(3) 3_657
Cu1 O2 1.923(3) .
O1 C6 1.300(5) .
O2 C7 1.290(5) .
C1 C2 1.423(7) .
C1 C5 1.430(7) .
C1 C01 1.488(7) .
C2 C3 1.414(6) .
C2 C02 1.515(7) .
C3 C4 1.441(7) .
C3 C03 1.514(7) .
C4 C5 1.412(7) .
C4 C04 1.506(7) .
C5 C05 1.495(8) .
C6 C12 1.407(6) .
C6 C7 1.470(6) .
C7 C8 1.412(6) .
C8 C9 1.414(8) .
C8 H8 0.926(19) .
C9 C10 1.415(8) .
C9 H9 0.910(19) .
C10 C11 1.355(8) .
C10 H10 0.93(2) .
C11 C12 1.413(8) .
C11 H11 0.93(2) .
C12 H12 0.914(19) .
C01 H01A 0.9600 .
C01 H01B 0.9600 .
C01 H01C 0.9600 .
C02 H02A 0.9600 .
C02 H02B 0.9600 .
C02 H02C 0.9600 .
C03 H03A 0.9600 .
C03 H03B 0.9600 .
C03 H03C 0.9600 .
C04 H04A 0.9600 .
C04 H04B 0.9600 .
C04 H04C 0.9600 .
C05 H05A 0.9600 .
C05 H05B 0.9600 .
C05 H05C 0.9600 .
P1 F4A 1.427(15) .
P1 F3 1.458(14) .
P1 F6A 1.524(17) .
P1 F2A 1.530(14) .
P1 F5A 1.53(2) .
P1 F1A 1.541(14) .
P1 F5 1.558(19) .
P1 F1 1.559(16) .
P1 F6 1.563(15) .
P1 F2 1.574(18) .
P1 F3A 1.592(13) .
P1 F4 1.605(16) .
