# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_UP9718
_database_code_depnum_ccdc_archive 'CCDC 1041125'
_audit_update_record             
;
2014-12-24 deposited with the CCDC.
2015-01-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97

_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C83 H82 F24 N12 O5 P4 Ru2'
_chemical_formula_weight         2109.63

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1       '
_symmetry_Int_Tables_number      2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2159(7)
_cell_length_b                   12.5550(8)
_cell_length_c                   18.1382(12)
_cell_angle_alpha                70.206(3)
_cell_angle_beta                 85.323(3)
_cell_angle_gamma                67.450(2)
_cell_volume                     2216.1(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(1)
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.10

_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1068
_exptl_absorpt_coefficient_mu    0.522
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2007)'
_exptl_absorpt_correction_T_min  0.6876
_exptl_absorpt_correction_T_max  0.7456
_diffrn_ambient_temperature      100(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'CCD Area Detector'
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_reflns_number            73021
_diffrn_reflns_av_R_equivalents  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0107
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.86
_diffrn_reflns_theta_max         27.54
_reflns_number_total             10200
_reflns_number_gt                9570
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0241P)²+2.6125P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10200
_refine_ls_number_parameters     643
_refine_ls_number_restraints     122
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0266
_refine_ls_wR_factor_ref         0.0655
_refine_ls_wR_factor_gt          0.0630
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.506258(11) 0.163868(11) 0.264396(7) 0.01291(4) Uani 1 1 d . . .
N1 N 0.65818(12) 0.13185(12) 0.19098(8) 0.0153(2) Uani 1 1 d . . .
N12 N 0.45450(12) 0.07306(12) 0.20479(8) 0.0149(2) Uani 1 1 d . . .
N13 N 0.57466(12) -0.00632(12) 0.34959(8) 0.0155(2) Uani 1 1 d . . .
N24 N 0.35555(13) 0.17812(12) 0.33876(8) 0.0154(2) Uani 1 1 d . . .
N25 N 0.57819(13) 0.24338(12) 0.32652(8) 0.0155(2) Uani 1 1 d . . .
N33 N 0.41533(12) 0.33223(12) 0.17585(8) 0.0151(2) Uani 1 1 d . . .
C2 C 0.75831(15) 0.16753(15) 0.18526(10) 0.0188(3) Uani 1 1 d . . .
H2 H 0.7632 0.2095 0.2178 0.025 Uiso 1 1 calc R . .
C3 C 0.85450(16) 0.14474(16) 0.13324(10) 0.0219(3) Uani 1 1 d . . .
H3 H 0.9235 0.1690 0.1319 0.029 Uiso 1 1 calc R . .
C4 C 0.84615(17) 0.08520(16) 0.08327(10) 0.0235(3) Uani 1 1 d . . .
H4 H 0.9089 0.0698 0.0473 0.031 Uiso 1 1 calc R . .
C5 C 0.74281(16) 0.04878(16) 0.08769(10) 0.0218(3) Uani 1 1 d . . .
H5 H 0.7349 0.0095 0.0542 0.029 Uiso 1 1 calc R . .
C6 C 0.65119(15) 0.07173(14) 0.14269(9) 0.0169(3) Uani 1 1 d . . .
C7 C 0.54123(15) 0.03182(14) 0.15400(9) 0.0173(3) Uani 1 1 d . . .
C8 C 0.52811(17) -0.04635(17) 0.11907(11) 0.0247(4) Uani 1 1 d . . .
H8 H 0.5881 -0.0732 0.0843 0.033 Uiso 1 1 calc R . .
C9 C 0.42495(18) -0.08374(17) 0.13656(12) 0.0272(4) Uani 1 1 d . . .
H9 H 0.4153 -0.1367 0.1141 0.036 Uiso 1 1 calc R . .
C10 C 0.33660(17) -0.04140(16) 0.18777(10) 0.0226(3) Uani 1 1 d . . .
H10 H 0.2665 -0.0653 0.2003 0.030 Uiso 1 1 calc R . .
C11 C 0.35404(15) 0.03707(15) 0.22011(9) 0.0180(3) Uani 1 1 d . . .
H11 H 0.2936 0.0662 0.2540 0.024 Uiso 1 1 calc R . .
C14 C 0.68458(15) -0.09937(15) 0.34717(10) 0.0195(3) Uani 1 1 d . . .
H14 H 0.7450 -0.0826 0.3117 0.026 Uiso 1 1 calc R . .
C15 C 0.71162(17) -0.21890(16) 0.39519(11) 0.0247(4) Uani 1 1 d . . .
H15 H 0.7882 -0.2811 0.3914 0.033 Uiso 1 1 calc R . .
C16 C 0.62293(18) -0.24480(16) 0.44906(11) 0.0261(4) Uani 1 1 d . . .
H16 H 0.6387 -0.3246 0.4816 0.035 Uiso 1 1 calc R . .
C17 C 0.51085(17) -0.14999(16) 0.45341(10) 0.0222(3) Uani 1 1 d . . .
H17 H 0.4508 -0.1651 0.4898 0.030 Uiso 1 1 calc R . .
C18 C 0.48813(15) -0.03161(14) 0.40305(9) 0.0165(3) Uani 1 1 d . . .
C19 C 0.36860(15) 0.07434(14) 0.40007(9) 0.0161(3) Uani 1 1 d . . .
C20 C 0.27411(16) 0.07009(16) 0.45418(10) 0.0204(3) Uani 1 1 d . . .
H20 H 0.2856 -0.0018 0.4957 0.027 Uiso 1 1 calc R . .
C21 C 0.16281(17) 0.17312(17) 0.44612(10) 0.0235(3) Uani 1 1 d . . .
H21 H 0.0982 0.1713 0.4815 0.031 Uiso 1 1 calc R . .
C22 C 0.15004(17) 0.27882(16) 0.38419(11) 0.0239(3) Uani 1 1 d . . .
H22 H 0.0766 0.3496 0.3775 0.032 Uiso 1 1 calc R . .
C23 C 0.24783(16) 0.27815(15) 0.33221(10) 0.0198(3) Uani 1 1 d . . .
H23 H 0.2386 0.3499 0.2911 0.026 Uiso 1 1 calc R . .
C26 C 0.50882(15) 0.35333(14) 0.33424(9) 0.0173(3) Uani 1 1 d . . .
H26 H 0.4265 0.3972 0.3097 0.023 Uiso 1 1 calc R . .
C27 C 0.55503(16) 0.40441(15) 0.37742(10) 0.0200(3) Uani 1 1 d . . .
C28 C 0.67825(17) 0.33911(15) 0.41461(10) 0.0211(3) Uani 1 1 d . . .
H28 H 0.7113 0.3704 0.4441 0.028 Uiso 1 1 calc R . .
C29 C 0.75013(16) 0.22637(15) 0.40647(10) 0.0198(3) Uani 1 1 d . . .
H29 H 0.8329 0.1810 0.4302 0.026 Uiso 1 1 calc R . .
C30 C 0.69787(15) 0.18182(14) 0.36276(9) 0.0172(3) Uani 1 1 d . . .
H30 H 0.7473 0.1059 0.3580 0.023 Uiso 1 1 calc R . .
C31 C 0.47574(18) 0.52329(17) 0.38143(11) 0.0262(4) Uani 1 1 d . . .
C32 C 0.4114(2) 0.62209(19) 0.38320(13) 0.0366(5) Uani 1 1 d . . .
H32 H 0.3608 0.6998 0.3846 0.049 Uiso 1 1 calc R . .
C34 C 0.47048(15) 0.41520(14) 0.14776(9) 0.0164(3) Uani 1 1 d . . .
H34 H 0.5502 0.3985 0.1700 0.022 Uiso 1 1 calc R . .
C35 C 0.41314(15) 0.52533(14) 0.08664(9) 0.0173(3) Uani 1 1 d . . .
C36 C 0.29400(16) 0.55052(15) 0.05305(9) 0.0191(3) Uani 1 1 d . . .
H36 H 0.2535 0.6231 0.0122 0.025 Uiso 1 1 calc R . .
C37 C 0.23679(16) 0.46539(15) 0.08154(10) 0.0191(3) Uani 1 1 d . . .
H37 H 0.1569 0.4803 0.0603 0.025 Uiso 1 1 calc R . .
C38 C 0.29993(15) 0.35806(15) 0.14190(9) 0.0174(3) Uani 1 1 d . . .
H38 H 0.2613 0.3009 0.1600 0.023 Uiso 1 1 calc R . .
C39 C 0.47884(16) 0.60893(15) 0.05965(10) 0.0201(3) Uani 1 1 d . . .
C40 C 0.53479(18) 0.67633(17) 0.03667(11) 0.0259(4) Uani 1 1 d . . .
H40 H 0.5786 0.7291 0.0187 0.034 Uiso 1 1 calc R . .
P1 P 0.91753(4) 0.07849(4) 0.63543(3) 0.01945(9) Uani 1 1 d . . .
F1 F 0.77189(10) 0.10137(11) 0.61329(8) 0.0342(3) Uani 1 1 d . . .
F2 F 1.06165(11) 0.05864(13) 0.65717(9) 0.0424(3) Uani 1 1 d . . .
F3 F 0.92791(14) -0.04413(12) 0.70349(9) 0.0504(4) Uani 1 1 d . . .
F4 F 0.97134(12) 0.00549(13) 0.57550(8) 0.0439(3) Uani 1 1 d . . .
F5 F 0.90455(13) 0.20274(12) 0.56596(8) 0.0429(3) Uani 1 1 d . . .
F6 F 0.86228(11) 0.15488(12) 0.69372(7) 0.0368(3) Uani 1 1 d . . .
P2 P 0.86742(4) 0.76441(4) -0.00468(3) 0.02104(9) Uani 1 1 d . . .
F7 F 0.83036(18) 0.78269(12) 0.07795(8) 0.0564(4) Uani 1 1 d . . .
F8 F 0.89749(19) 0.75132(17) -0.08864(9) 0.0644(5) Uani 1 1 d . . .
F9 F 0.71659(13) 0.81513(15) -0.02793(10) 0.0695(6) Uani 1 1 d . . .
F10 F 0.86397(11) 0.90155(10) -0.04003(7) 0.0306(2) Uani 1 1 d . . .
F11 F 1.01548(12) 0.71759(12) 0.01791(11) 0.0554(4) Uani 1 1 d . . .
F12 F 0.86992(12) 0.62856(11) 0.03176(8) 0.0373(3) Uani 1 1 d . . .
C41 C 0.8714(2) 0.33261(18) 0.77964(12) 0.0307(4) Uani 1 1 d . . .
C42 C 1.0085(2) 0.2875(3) 0.75661(19) 0.0539(7) Uani 1 1 d . . .
H42a H 1.0273 0.3552 0.7214 0.081 Uiso 1 1 calc R . .
H42b H 1.0201 0.2290 0.7310 0.081 Uiso 1 1 calc R . .
H42c H 1.0658 0.2495 0.8027 0.081 Uiso 1 1 calc R . .
C43 C 0.8319(3) 0.2412(2) 0.84166(13) 0.0412(5) Uani 1 1 d . . .
H43a H 0.8614 0.2331 0.8922 0.062 Uiso 1 1 calc R . .
H43b H 0.8695 0.1636 0.8335 0.062 Uiso 1 1 calc R . .
H43c H 0.7394 0.2679 0.8392 0.062 Uiso 1 1 calc R . .
O1 O 0.79828(19) 0.43755(14) 0.75071(11) 0.0501(4) Uani 1 1 d . . .
C44 C 0.7925(4) 0.4704(4) 0.2172(3) 0.0285(8) Uani 0.60 1 d PDU A 1
C45 C 0.9341(4) 0.4331(4) 0.2064(3) 0.0467(10) Uani 0.60 1 d PDU A 1
H45a H 0.9675 0.3548 0.1992 0.070 Uiso 0.60 1 calc PR A 1
H45b H 0.9768 0.4278 0.2521 0.070 Uiso 0.60 1 calc PR A 1
H45c H 0.9493 0.4926 0.1612 0.070 Uiso 0.60 1 calc PR A 1
C46 C 0.7225(6) 0.5914(5) 0.2295(4) 0.0436(12) Uani 0.60 1 d PDU A 1
H46a H 0.6326 0.6048 0.2359 0.065 Uiso 0.60 1 calc PR A 1
H46b H 0.7310 0.6558 0.1848 0.065 Uiso 0.60 1 calc PR A 1
H46c H 0.7591 0.5910 0.2757 0.065 Uiso 0.60 1 calc PR A 1
O2 O 0.7350(3) 0.4074(3) 0.21545(17) 0.0437(6) Uani 0.60 1 d PDU A 1
C47 C 0.7960(5) 0.5225(4) 0.2705(3) 0.0266(9) Uani 0.40 1 d PDU B 2
C48 C 0.6794(7) 0.6370(7) 0.2342(5) 0.0403(16) Uani 0.40 1 d PDU B 2
H48a H 0.6533 0.6840 0.2689 0.060 Uiso 0.40 1 calc PR B 2
H48b H 0.6099 0.6152 0.2253 0.060 Uiso 0.40 1 calc PR B 2
H48c H 0.7006 0.6847 0.1851 0.060 Uiso 0.40 1 calc PR B 2
C49 C 0.8510(10) 0.4355(8) 0.2255(5) 0.052(2) Uani 0.40 1 d PDU B 2
H49a H 0.9247 0.3670 0.2547 0.077 Uiso 0.40 1 calc PR B 2
H49b H 0.8769 0.4766 0.1757 0.077 Uiso 0.40 1 calc PR B 2
H49c H 0.7866 0.4072 0.2171 0.077 Uiso 0.40 1 calc PR B 2
O3 O 0.8449(3) 0.5035(3) 0.33352(18) 0.0263(7) Uani 0.40 1 d PDU B 2
C50 C 0.9372(4) 0.4879(4) 0.4842(3) 0.0275(9) Uani 0.50 1 d PDU C -1
C51 C 0.8817(5) 0.4529(4) 0.5634(3) 0.0425(11) Uani 0.50 1 d PDU C -1
H51a H 0.8093 0.4324 0.5583 0.064 Uiso 0.50 1 calc PR C -1
H51b H 0.8537 0.5205 0.5827 0.064 Uiso 0.50 1 calc PR C -1
H51c H 0.9467 0.3836 0.5994 0.064 Uiso 0.50 1 calc PR C -1
C52 C 1.0506(5) 0.5301(5) 0.4789(3) 0.0392(11) Uani 0.50 1 d PU C -1
H52a H 1.0786 0.5469 0.4262 0.059 Uiso 0.50 1 calc PR C -1
H52b H 1.1208 0.4668 0.5143 0.059 Uiso 0.50 1 calc PR C -1
H52c H 1.0229 0.6029 0.4928 0.059 Uiso 0.50 1 calc PR C -1
O4 O 0.8932(3) 0.4866(3) 0.42707(17) 0.0347(6) Uani 0.50 1 d PDU C -1


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N13 2.0595(13) . ?
Ru1 N12 2.0617(13) . ?
Ru1 N24 2.0660(13) . ?
Ru1 N1 2.0750(13) . ?
Ru1 N33 2.0981(13) . ?
Ru1 N25 2.1083(13) . ?
N1 C2 1.345(2) . ?
N1 C6 1.359(2) . ?
N12 C11 1.344(2) . ?
N12 C7 1.362(2) . ?
N13 C14 1.345(2) . ?
N13 C18 1.363(2) . ?
N24 C23 1.345(2) . ?
N24 C19 1.362(2) . ?
N25 C26 1.349(2) . ?
N25 C30 1.355(2) . ?
N33 C34 1.346(2) . ?
N33 C38 1.354(2) . ?
C2 C3 1.384(2) . ?
C3 C4 1.384(3) . ?
C4 C5 1.388(2) . ?
C5 C6 1.391(2) . ?
C6 C7 1.476(2) . ?
C7 C8 1.390(2) . ?
C8 C9 1.384(2) . ?
C9 C10 1.381(3) . ?
C10 C11 1.382(2) . ?
C14 C15 1.383(2) . ?
C15 C16 1.387(3) . ?
C16 C17 1.380(2) . ?
C17 C18 1.392(2) . ?
C18 C19 1.471(2) . ?
C19 C20 1.388(2) . ?
C20 C21 1.384(2) . ?
C21 C22 1.384(3) . ?
C22 C23 1.386(2) . ?
C26 C27 1.398(2) . ?
C27 C28 1.395(2) . ?
C27 C31 1.438(2) . ?
C28 C29 1.386(2) . ?
C29 C30 1.383(2) . ?
C31 C32 1.182(3) . ?
C34 C35 1.397(2) . ?
C35 C36 1.391(2) . ?
C35 C39 1.439(2) . ?
C36 C37 1.385(2) . ?
C37 C38 1.383(2) . ?
C39 C40 1.187(3) . ?
P1 F3 1.5831(13) . ?
P1 F4 1.5904(12) . ?
P1 F6 1.5956(11) . ?
P1 F2 1.5998(12) . ?
P1 F5 1.6021(13) . ?
P1 F1 1.6064(11) . ?
P2 F11 1.5717(13) . ?
P2 F8 1.5821(14) . ?
P2 F7 1.5907(13) . ?
P2 F12 1.5967(12) . ?
P2 F9 1.5980(13) . ?
P2 F10 1.6070(12) . ?
C41 O1 1.207(3) . ?
C41 C43 1.488(3) . ?
C41 C42 1.498(3) . ?
C44 O2 1.205(4) . ?
C44 C45 1.490(5) . ?
C44 C46 1.504(6) . ?
C47 O3 1.217(5) . ?
C47 C49 1.499(7) . ?
C47 C48 1.506(6) . ?
C50 O4 1.192(5) . ?
C50 C51 1.509(5) . ?
C50 C52 1.538(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N13 Ru1 N12 83.17(5) . . ?
N13 Ru1 N24 78.73(5) . . ?
N12 Ru1 N24 96.51(5) . . ?
N13 Ru1 N1 97.01(5) . . ?
N12 Ru1 N1 78.84(5) . . ?
N24 Ru1 N1 174.11(5) . . ?
N13 Ru1 N33 172.47(5) . . ?
N12 Ru1 N33 91.25(5) . . ?
N24 Ru1 N33 96.99(5) . . ?
N1 Ru1 N33 86.80(5) . . ?
N13 Ru1 N25 93.45(5) . . ?
N12 Ru1 N25 174.24(5) . . ?
N24 Ru1 N25 87.36(5) . . ?
N1 Ru1 N25 97.01(5) . . ?
N33 Ru1 N25 92.52(5) . . ?
C2 N1 C6 118.06(13) . . ?
C2 N1 Ru1 126.69(11) . . ?
C6 N1 Ru1 115.21(10) . . ?
C11 N12 C7 118.18(14) . . ?
C11 N12 Ru1 125.44(11) . . ?
C7 N12 Ru1 115.65(10) . . ?
C14 N13 C18 118.04(14) . . ?
C14 N13 Ru1 125.13(11) . . ?
C18 N13 Ru1 115.42(10) . . ?
C23 N24 C19 117.88(13) . . ?
C23 N24 Ru1 126.67(11) . . ?
C19 N24 Ru1 115.45(10) . . ?
C26 N25 C30 117.15(14) . . ?
C26 N25 Ru1 123.00(11) . . ?
C30 N25 Ru1 119.83(10) . . ?
C34 N33 C38 117.45(14) . . ?
C34 N33 Ru1 122.42(11) . . ?
C38 N33 Ru1 120.04(10) . . ?
N1 C2 C3 123.04(15) . . ?
C2 C3 C4 118.81(15) . . ?
C3 C4 C5 119.01(15) . . ?
C4 C5 C6 119.28(16) . . ?
N1 C6 C5 121.77(15) . . ?
N1 C6 C7 115.09(14) . . ?
C5 C6 C7 123.14(15) . . ?
N12 C7 C8 121.53(15) . . ?
N12 C7 C6 114.77(14) . . ?
C8 C7 C6 123.64(15) . . ?
C9 C8 C7 119.35(16) . . ?
C10 C9 C8 119.12(16) . . ?
C9 C10 C11 118.91(16) . . ?
N12 C11 C10 122.89(15) . . ?
N13 C14 C15 122.82(15) . . ?
C14 C15 C16 119.12(16) . . ?
C17 C16 C15 118.79(16) . . ?
C16 C17 C18 119.60(16) . . ?
N13 C18 C17 121.61(15) . . ?
N13 C18 C19 114.62(14) . . ?
C17 C18 C19 123.71(14) . . ?
N24 C19 C20 121.75(15) . . ?
N24 C19 C18 114.87(13) . . ?
C20 C19 C18 123.38(15) . . ?
C21 C20 C19 119.82(16) . . ?
C22 C21 C20 118.42(15) . . ?
C21 C22 C23 119.33(16) . . ?
N24 C23 C22 122.79(16) . . ?
N25 C26 C27 123.01(15) . . ?
C28 C27 C26 118.87(15) . . ?
C28 C27 C31 121.66(16) . . ?
C26 C27 C31 119.46(15) . . ?
C29 C28 C27 118.30(15) . . ?
C30 C29 C28 119.51(15) . . ?
N25 C30 C29 123.16(15) . . ?
C32 C31 C27 178.6(2) . . ?
N33 C34 C35 122.86(15) . . ?
C36 C35 C34 118.75(15) . . ?
C36 C35 C39 121.81(15) . . ?
C34 C35 C39 119.44(15) . . ?
C37 C36 C35 118.71(15) . . ?
C38 C37 C36 119.18(15) . . ?
N33 C38 C37 123.05(15) . . ?
C40 C39 C35 178.65(18) . . ?
F3 P1 F4 90.54(8) . . ?
F3 P1 F6 90.85(8) . . ?
F4 P1 F6 178.55(8) . . ?
F3 P1 F2 91.13(8) . . ?
F4 P1 F2 90.12(7) . . ?
F6 P1 F2 90.26(7) . . ?
F3 P1 F5 178.94(8) . . ?
F4 P1 F5 89.28(8) . . ?
F6 P1 F5 89.32(7) . . ?
F2 P1 F5 89.91(8) . . ?
F3 P1 F1 89.77(8) . . ?
F4 P1 F1 90.64(7) . . ?
F6 P1 F1 88.97(6) . . ?
F2 P1 F1 178.82(7) . . ?
F5 P1 F1 89.19(7) . . ?
F11 P2 F8 91.44(10) . . ?
F11 P2 F7 91.11(10) . . ?
F8 P2 F7 177.15(11) . . ?
F11 P2 F12 91.15(7) . . ?
F8 P2 F12 91.85(8) . . ?
F7 P2 F12 89.35(7) . . ?
F11 P2 F9 178.68(9) . . ?
F8 P2 F9 88.88(11) . . ?
F7 P2 F9 88.54(10) . . ?
F12 P2 F9 90.12(8) . . ?
F11 P2 F10 88.99(7) . . ?
F8 P2 F10 89.09(7) . . ?
F7 P2 F10 89.69(7) . . ?
F12 P2 F10 179.04(7) . . ?
F9 P2 F10 89.74(7) . . ?
O1 C41 C43 122.0(2) . . ?
O1 C41 C42 121.9(2) . . ?
C43 C41 C42 116.0(2) . . ?
O2 C44 C45 121.9(4) . . ?
O2 C44 C46 120.7(4) . . ?
C45 C44 C46 117.4(4) . . ?
O3 C47 C49 121.7(5) . . ?
O3 C47 C48 120.6(5) . . ?
C49 C47 C48 117.7(5) . . ?
O4 C50 C51 121.7(4) . . ?
O4 C50 C52 120.6(5) . . ?
C51 C50 C52 117.7(5) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.54
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.120
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.061
