# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2014

####################################################################### 
# 
# 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/. 
# 
# Audit and citation data items have may been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_iaj602c2
_database_code_depnum_ccdc_archive 'CCDC 1004247'
_audit_update_record             
;
2014-05-20 deposited with the CCDC.
2014-11-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H54 F18 N15 P3 Ru3 S9'
_chemical_formula_weight         1723.60

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 0.0000 '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 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   27.5079(16)
_cell_length_b                   16.0629(9)
_cell_length_c                   14.4082(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.033(4)
_cell_angle_gamma                90.00
_cell_volume                     6053.6(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9998
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      26.58

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.23
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3432
_exptl_absorpt_coefficient_mu    1.229
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6944
_exptl_absorpt_correction_T_max  0.7652
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            62696
_diffrn_reflns_av_R_equivalents  0.0963
_diffrn_reflns_av_sigmaI/netI    0.0589
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.49
_diffrn_reflns_theta_max         27.50
_reflns_number_total             7169
_reflns_number_gt                6071
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.1079P)²+17.9002P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   ?
_refine_ls_number_reflns         7169
_refine_ls_number_parameters     791
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0719
_refine_ls_R_factor_gt           0.0565
_refine_ls_wR_factor_ref         0.1629
_refine_ls_wR_factor_gt          0.1470
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.001
_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 0.65985(3) 0.67034(6) 0.18400(6) 0.02211(19) Uani 1 1 d . . .
Ru2 Ru 0.61655(3) 0.32436(6) 0.19762(6) 0.02215(19) Uani 1 1 d . . .
Ru3 Ru 0.81386(3) 0.42634(6) 0.19122(6) 0.02170(19) Uani 1 1 d . . .
S1 S 0.64593(11) 0.21529(17) 0.3023(2) 0.0286(6) Uani 1 1 d . . .
S2 S 0.53476(10) 0.27679(17) 0.1716(2) 0.0281(6) Uani 1 1 d . . .
S3 S 0.60825(10) 0.39880(17) 0.3277(2) 0.0263(6) Uani 1 1 d . . .
S4 S 0.61302(11) 0.71671(17) 0.2806(2) 0.0282(6) Uani 1 1 d . . .
S5 S 0.73154(10) 0.68020(17) 0.3178(2) 0.0258(5) Uani 1 1 d . . .
S6 S 0.67228(10) 0.80595(16) 0.1488(2) 0.0268(6) Uani 1 1 d . . .
S7 S 0.81462(10) 0.34686(17) 0.3250(2) 0.0257(5) Uani 1 1 d . . .
S8 S 0.86894(10) 0.33193(17) 0.1602(2) 0.0261(5) Uani 1 1 d . . .
S9 S 0.88299(10) 0.49719(18) 0.2906(2) 0.0274(6) Uani 1 1 d . . .
N1 N 0.7595(3) 0.5214(5) 0.2046(6) 0.0217(18) Uani 1 1 d . . .
H1 H 0.7499 0.5296 0.2568 0.026 Uiso 1 1 calc R . .
N2 N 0.7043(3) 0.6261(5) 0.0941(6) 0.0188(17) Uani 1 1 d . . .
N3 N 0.7167(4) 0.6486(6) -0.0639(7) 0.027(2) Uani 1 1 d . . .
N4 N 0.7896(4) 0.5630(6) -0.0809(7) 0.0259(19) Uani 1 1 d . . .
N5 N 0.8087(3) 0.4982(6) 0.0624(7) 0.0241(18) Uani 1 1 d . . .
N6 N 0.6938(3) 0.3604(6) 0.2065(6) 0.0235(18) Uani 1 1 d . . .
H6 H 0.7148 0.3854 0.2576 0.028 Uiso 1 1 calc R . .
N7 N 0.7476(3) 0.3611(6) 0.0995(6) 0.0219(18) Uani 1 1 d . . .
N8 N 0.7141(4) 0.2923(6) -0.0592(7) 0.030(2) Uani 1 1 d . . .
N9 N 0.6313(3) 0.2222(6) -0.0736(7) 0.0261(19) Uani 1 1 d . . .
N10 N 0.6248(3) 0.2607(5) 0.0715(7) 0.0259(19) Uani 1 1 d . . .
N11 N 0.6431(3) 0.5412(6) 0.2023(6) 0.0227(18) Uani 1 1 d . . .
H11 H 0.6572 0.5127 0.2560 0.027 Uiso 1 1 calc R . .
N12 N 0.5918(3) 0.4288(6) 0.1003(6) 0.0239(18) Uani 1 1 d . . .
N13 N 0.5376(4) 0.4677(6) -0.0648(6) 0.0265(19) Uani 1 1 d . . .
N14 N 0.5400(4) 0.6198(6) -0.0901(7) 0.030(2) Uani 1 1 d . . .
N15 N 0.5952(3) 0.6534(5) 0.0580(7) 0.0258(19) Uani 1 1 d . . .
C1 C 0.5876(5) 0.1559(7) 0.3057(9) 0.036(3) Uani 1 1 d . . .
H1C H 0.5957 0.0958 0.3145 0.044 Uiso 1 1 calc R . .
H1D H 0.5768 0.1750 0.3616 0.044 Uiso 1 1 calc R . .
C2 C 0.5451(5) 0.1690(7) 0.2130(9) 0.034(3) Uani 1 1 d . . .
H2A H 0.5131 0.1476 0.2218 0.041 Uiso 1 1 calc R . .
H2B H 0.5522 0.1354 0.1610 0.041 Uiso 1 1 calc R . .
C3 C 0.5108(4) 0.3261(8) 0.2634(9) 0.031(2) Uani 1 1 d . . .
H3A H 0.4738 0.3372 0.2348 0.038 Uiso 1 1 calc R . .
H3B H 0.5155 0.2877 0.3192 0.038 Uiso 1 1 calc R . .
C4 C 0.5386(4) 0.4071(7) 0.2993(9) 0.033(3) Uani 1 1 d . . .
H4A H 0.5306 0.4252 0.3587 0.039 Uiso 1 1 calc R . .
H4B H 0.5257 0.4504 0.2488 0.039 Uiso 1 1 calc R . .
C5 C 0.6237(5) 0.3268(8) 0.4325(8) 0.034(3) Uani 1 1 d . . .
H5A H 0.6368 0.3586 0.4940 0.041 Uiso 1 1 calc R . .
H5B H 0.5924 0.2969 0.4337 0.041 Uiso 1 1 calc R . .
C6 C 0.6636(5) 0.2648(8) 0.4243(8) 0.033(3) Uani 1 1 d . . .
H6C H 0.6677 0.2212 0.4747 0.040 Uiso 1 1 calc R . .
H6D H 0.6969 0.2935 0.4368 0.040 Uiso 1 1 calc R . .
C7 C 0.6560(5) 0.6981(7) 0.4056(8) 0.031(2) Uani 1 1 d . . .
H7A H 0.6433 0.7295 0.4525 0.038 Uiso 1 1 calc R . .
H7B H 0.6555 0.6381 0.4212 0.038 Uiso 1 1 calc R . .
C8 C 0.7095(5) 0.7241(7) 0.4166(9) 0.030(2) Uani 1 1 d . . .
H8A H 0.7323 0.7049 0.4805 0.036 Uiso 1 1 calc R . .
H8B H 0.7113 0.7856 0.4151 0.036 Uiso 1 1 calc R . .
C9 C 0.7659(4) 0.7689(7) 0.2867(8) 0.026(2) Uani 1 1 d . . .
H9A H 0.7923 0.7883 0.3466 0.031 Uiso 1 1 calc R . .
H9B H 0.7836 0.7501 0.2402 0.031 Uiso 1 1 calc R . .
C10 C 0.7310(4) 0.8417(7) 0.2417(9) 0.030(2) Uani 1 1 d . . .
H10A H 0.7495 0.8807 0.2114 0.036 Uiso 1 1 calc R . .
H10B H 0.7218 0.8720 0.2937 0.036 Uiso 1 1 calc R . .
C11 C 0.6232(4) 0.8633(7) 0.1835(10) 0.033(3) Uani 1 1 d . . .
H11C H 0.6328 0.9229 0.1916 0.039 Uiso 1 1 calc R . .
H11D H 0.5904 0.8590 0.1302 0.039 Uiso 1 1 calc R . .
C12 C 0.6157(4) 0.8311(8) 0.2780(9) 0.032(2) Uani 1 1 d . . .
H12A H 0.5836 0.8542 0.2847 0.038 Uiso 1 1 calc R . .
H12B H 0.6443 0.8508 0.3342 0.038 Uiso 1 1 calc R . .
C13 C 0.8339(4) 0.2443(7) 0.2924(8) 0.028(2) Uani 1 1 d . . .
H13A H 0.8435 0.2086 0.3513 0.034 Uiso 1 1 calc R . .
H13B H 0.8042 0.2181 0.2437 0.034 Uiso 1 1 calc R . .
C14 C 0.8789(4) 0.2477(7) 0.2503(9) 0.032(3) Uani 1 1 d . . .
H14A H 0.8817 0.1939 0.2189 0.039 Uiso 1 1 calc R . .
H14B H 0.9111 0.2573 0.3036 0.039 Uiso 1 1 calc R . .
C15 C 0.9302(4) 0.3865(9) 0.1987(9) 0.036(3) Uani 1 1 d . . .
H15A H 0.9578 0.3447 0.2080 0.043 Uiso 1 1 calc R . .
H15B H 0.9318 0.4235 0.1447 0.043 Uiso 1 1 calc R . .
C16 C 0.9415(5) 0.4375(9) 0.2895(11) 0.043(3) Uani 1 1 d . . .
H16A H 0.9697 0.4767 0.2927 0.052 Uiso 1 1 calc R . .
H16B H 0.9524 0.4006 0.3473 0.052 Uiso 1 1 calc R . .
C17 C 0.8831(5) 0.4715(8) 0.4124(9) 0.037(3) Uani 1 1 d . . .
H17A H 0.9167 0.4862 0.4592 0.045 Uiso 1 1 calc R . .
H17B H 0.8567 0.5051 0.4288 0.045 Uiso 1 1 calc R . .
C18 C 0.8725(5) 0.3792(8) 0.4234(9) 0.034(3) Uani 1 1 d . . .
H18A H 0.8675 0.3694 0.4877 0.041 Uiso 1 1 calc R . .
H18B H 0.9021 0.3457 0.4202 0.041 Uiso 1 1 calc R . .
C19 C 0.7426(4) 0.5660(6) 0.1204(7) 0.021(2) Uani 1 1 d . . .
C20 C 0.6944(4) 0.6608(7) 0.0032(8) 0.027(2) Uani 1 1 d . . .
H20 H 0.6671 0.6997 -0.0139 0.032 Uiso 1 1 calc R . .
C21 C 0.7551(4) 0.5918(6) -0.0338(8) 0.023(2) Uani 1 1 d . . .
C22 C 0.8211(4) 0.5078(7) -0.0178(8) 0.028(2) Uani 1 1 d . . .
H22 H 0.8488 0.4798 -0.0306 0.033 Uiso 1 1 calc R . .
C23 C 0.7685(4) 0.5532(6) 0.0542(9) 0.026(2) Uani 1 1 d . . .
C24 C 0.7485(4) 0.3347(7) 0.0099(8) 0.026(2) Uani 1 1 d . . .
H24 H 0.7787 0.3490 -0.0054 0.032 Uiso 1 1 calc R . .
C25 C 0.6742(4) 0.2695(7) -0.0273(8) 0.026(2) Uani 1 1 d . . .
C26 C 0.6036(4) 0.2205(7) -0.0119(8) 0.028(2) Uani 1 1 d . . .
H26 H 0.5716 0.1928 -0.0265 0.034 Uiso 1 1 calc R . .
C27 C 0.6693(4) 0.2919(6) 0.0584(8) 0.023(2) Uani 1 1 d . . .
C28 C 0.7061(4) 0.3412(7) 0.1288(8) 0.026(2) Uani 1 1 d . . .
C29 C 0.6091(4) 0.5095(6) 0.1232(8) 0.022(2) Uani 1 1 d . . .
C30 C 0.5584(4) 0.4150(6) 0.0089(8) 0.026(2) Uani 1 1 d . . .
H30 H 0.5483 0.3586 -0.0044 0.031 Uiso 1 1 calc R . .
C31 C 0.5535(4) 0.5457(7) -0.0366(8) 0.027(2) Uani 1 1 d . . .
C32 C 0.5664(4) 0.6817(7) -0.0291(8) 0.027(2) Uani 1 1 d . . .
H32 H 0.5644 0.7388 -0.0470 0.032 Uiso 1 1 calc R . .
C33 C 0.5854(4) 0.5685(7) 0.0497(9) 0.027(2) Uani 1 1 d . . .
C34 C 0.5092(5) 0.6271(8) -0.1904(8) 0.033(3) Uani 1 1 d . . .
H34A H 0.4992 0.6854 -0.2050 0.050 Uiso 1 1 calc R . .
H34B H 0.4785 0.5926 -0.2020 0.050 Uiso 1 1 calc R . .
H34C H 0.5289 0.6084 -0.2327 0.050 Uiso 1 1 calc R . .
C35 C 0.6182(5) 0.1878(8) -0.1716(9) 0.035(3) Uani 1 1 d . . .
H35A H 0.5855 0.1583 -0.1866 0.052 Uiso 1 1 calc R . .
H35B H 0.6449 0.1490 -0.1756 0.052 Uiso 1 1 calc R . .
H35C H 0.6153 0.2330 -0.2187 0.052 Uiso 1 1 calc R . .
C36 C 0.7898(6) 0.5874(8) -0.1779(9) 0.040(3) Uani 1 1 d . . .
H36A H 0.8220 0.5701 -0.1876 0.060 Uiso 1 1 calc R . .
H36B H 0.7863 0.6480 -0.1845 0.060 Uiso 1 1 calc R . .
H36C H 0.7611 0.5606 -0.2269 0.060 Uiso 1 1 calc R . .
P1 P 0.1308(2) 0.9687(4) 0.7676(5) 0.0357(14) Uani 0.50 1 d P . .
P2 P 0.74027(14) 0.0020(2) 0.4671(2) 0.0387(8) Uani 1 1 d . . .
P3 P 0.5000 0.9829(3) 0.0000 0.0330(9) Uani 1 2 d S . .
P4 P 0.5000 0.1504(3) 0.5000 0.0355(10) Uani 1 2 d S . .
P5 P 1.0000 0.2041(3) 0.5000 0.0623(18) Uani 1 2 d SD . .
F1 F 0.1890(5) 0.9663(11) 0.8297(14) 0.052(4) Uani 0.50 1 d P A .
F2 F 0.1407(8) 1.0395(11) 0.6978(13) 0.060(5) Uani 0.50 1 d P A .
F3 F 0.0699(11) 0.975(2) 0.727(2) 0.037(5) Uiso 0.25 1 d PU A 1
F3' F 0.0713(10) 0.9715(19) 0.689(2) 0.032(5) Uiso 0.25 1 d PU A 2
F4 F 0.1215(12) 0.898(2) 0.846(2) 0.034(5) Uiso 0.25 1 d PU A 1
F4' F 0.1156(12) 0.893(2) 0.813(2) 0.035(6) Uiso 0.25 1 d PU A 2
F5 F 0.1215(10) 1.0326(17) 0.851(2) 0.024(5) Uiso 0.25 1 d PU A 1
F5' F 0.1217(11) 1.0475(19) 0.819(2) 0.031(5) Uiso 0.25 1 d PU A 2
F6 F 0.1382(7) 0.8983(13) 0.6927(12) 0.060(5) Uani 0.50 1 d P A .
F7 F 0.7026(3) 0.0671(5) 0.4944(6) 0.0466(19) Uani 1 1 d . . .
F8 F 0.6993(3) -0.0063(5) 0.3602(5) 0.0458(19) Uani 1 1 d . . .
F9 F 0.7121(5) -0.0733(6) 0.5030(7) 0.070(3) Uani 1 1 d . . .
F10 F 0.7768(3) -0.0630(6) 0.4367(7) 0.063(3) Uani 1 1 d . . .
F11 F 0.7807(4) 0.0113(7) 0.5735(7) 0.082(4) Uani 1 1 d . . .
F12 F 0.7673(4) 0.0768(6) 0.4289(8) 0.069(3) Uani 1 1 d . . .
F13 F 0.5000 0.8836(8) 0.0000 0.066(4) Uani 1 2 d S . .
F14 F 0.5177(3) 0.9821(5) 0.1166(5) 0.0447(18) Uani 1 1 d . . .
F15 F 0.5589(3) 0.9853(7) 0.0053(7) 0.063(3) Uani 1 1 d . . .
F16 F 0.5000 1.0845(7) 0.0000 0.066(4) Uani 1 2 d S . .
F17 F 0.4400(3) 0.1504(6) 0.4854(6) 0.051(2) Uani 1 1 d . . .
F18 F 0.5000 0.0505(7) 0.5000 0.056(3) Uani 1 2 d S . .
F19 F 0.4880(3) 0.1509(6) 0.3832(6) 0.058(2) Uani 1 1 d . . .
F20 F 1.0163(10) 0.1469(15) 0.5967(13) 0.068(5) Uiso 0.460(19) 1 d PDU B 1
F20' F 0.9960(9) 0.1272(10) 0.5692(14) 0.066(5) Uiso 0.540(19) 1 d PDU B 2
F21 F 0.9384(4) 0.2047(7) 0.4768(8) 0.076(3) Uani 1 1 d . B .
F22 F 0.5000 0.2492(7) 0.5000 0.066(4) Uani 1 2 d S . .
F23 F 0.9901(8) 0.2959(8) 0.4524(16) 0.066(5) Uiso 0.460(19) 1 d PDU . 1
F23' F 0.9979(7) 0.2594(12) 0.4053(11) 0.068(5) Uiso 0.540(19) 1 d PDU B 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 N15 2.129(9) . ?
Ru1 N11 2.158(9) . ?
Ru1 N2 2.158(8) . ?
Ru1 S6 2.286(3) . ?
Ru1 S4 2.294(3) . ?
Ru1 S5 2.297(3) . ?
Ru2 N12 2.157(9) . ?
Ru2 N10 2.157(10) . ?
Ru2 N6 2.166(9) . ?
Ru2 S1 2.290(3) . ?
Ru2 S3 2.294(3) . ?
Ru2 S2 2.294(3) . ?
Ru3 N5 2.153(9) . ?
Ru3 N7 2.163(9) . ?
Ru3 N1 2.188(8) . ?
Ru3 S8 2.284(3) . ?
Ru3 S9 2.297(3) . ?
Ru3 S7 2.306(3) . ?
S1 C6 1.852(12) . ?
S1 C1 1.882(12) . ?
S2 C2 1.825(12) . ?
S2 C3 1.830(12) . ?
S3 C4 1.837(11) . ?
S3 C5 1.843(12) . ?
S4 C12 1.840(13) . ?
S4 C7 1.846(12) . ?
S5 C9 1.841(12) . ?
S5 C8 1.852(12) . ?
S6 C11 1.828(12) . ?
S6 C10 1.842(11) . ?
S7 C13 1.835(11) . ?
S7 C18 1.849(11) . ?
S8 C15 1.828(12) . ?
S8 C14 1.835(12) . ?
S9 C17 1.802(13) . ?
S9 C16 1.877(13) . ?
N1 C19 1.362(14) . ?
N1 H1 0.8800 . ?
N2 C20 1.371(14) . ?
N2 C19 1.391(12) . ?
N3 C20 1.309(15) . ?
N3 C21 1.361(14) . ?
N4 C22 1.369(14) . ?
N4 C21 1.406(14) . ?
N4 C36 1.452(15) . ?
N5 C22 1.312(15) . ?
N5 C23 1.391(13) . ?
N6 C28 1.304(15) . ?
N6 H6 0.8800 . ?
N7 C24 1.366(14) . ?
N7 C28 1.372(14) . ?
N8 C24 1.331(15) . ?
N8 C25 1.364(15) . ?
N9 C26 1.337(15) . ?
N9 C25 1.389(14) . ?
N9 C35 1.453(14) . ?
N10 C26 1.330(14) . ?
N10 C27 1.388(14) . ?
N11 C29 1.331(14) . ?
N11 H11 0.8800 . ?
N12 C30 1.370(14) . ?
N12 C29 1.385(13) . ?
N13 C30 1.340(14) . ?
N13 C31 1.349(15) . ?
N14 C32 1.376(14) . ?
N14 C31 1.404(14) . ?
N14 C34 1.436(15) . ?
N15 C32 1.338(14) . ?
N15 C33 1.388(14) . ?
C1 C2 1.493(18) . ?
C1 H1C 0.9900 . ?
C1 H1D 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.516(16) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.514(16) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6C 0.9900 . ?
C6 H6D 0.9900 . ?
C7 C8 1.490(17) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.524(16) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.529(17) . ?
C11 H11C 0.9900 . ?
C11 H11D 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.540(16) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.493(19) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.528(17) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C23 1.372(16) . ?
C20 H20 0.9500 . ?
C21 C23 1.356(15) . ?
C22 H22 0.9500 . ?
C24 H24 0.9500 . ?
C25 C27 1.334(16) . ?
C26 H26 0.9500 . ?
C27 C28 1.430(14) . ?
C29 C33 1.422(15) . ?
C30 H30 0.9500 . ?
C31 C33 1.332(16) . ?
C32 H32 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
P1 F4' 1.49(3) . ?
P1 F5' 1.52(3) . ?
P1 F1 1.575(16) . ?
P1 F2 1.596(18) . ?
P1 F3 1.60(3) . ?
P1 F6 1.619(19) . ?
P1 F5 1.66(3) . ?
P1 F3' 1.67(3) . ?
P1 F4 1.68(3) . ?
P2 F12 1.597(10) . ?
P2 F11 1.599(10) . ?
P2 F10 1.601(9) . ?
P2 F7 1.605(8) . ?
P2 F9 1.606(10) . ?
P2 F8 1.608(8) . ?
P3 F13 1.595(13) . ?
P3 F14 1.598(8) 2_655 ?
P3 F14 1.598(8) . ?
P3 F15 1.598(9) . ?
P3 F15 1.598(9) 2_655 ?
P3 F16 1.631(12) . ?
P4 F22 1.587(13) . ?
P4 F17 1.598(8) . ?
P4 F17 1.598(8) 2_656 ?
P4 F18 1.604(12) . ?
P4 F19 1.611(8) . ?
P4 F19 1.611(8) 2_656 ?
P5 F23 1.612(10) . ?
P5 F23 1.612(10) 2_756 ?
P5 F20 1.612(10) . ?
P5 F20 1.612(10) 2_756 ?
P5 F20' 1.614(9) . ?
P5 F20' 1.614(9) 2_756 ?
P5 F23' 1.615(9) 2_756 ?
P5 F23' 1.615(10) . ?
P5 F21 1.623(11) . ?
P5 F21 1.624(11) 2_756 ?
F23 F23 1.31(4) 2_756 ?

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
N15 Ru1 N11 80.1(3) . . ?
N15 Ru1 N2 85.8(3) . . ?
N11 Ru1 N2 86.5(3) . . ?
N15 Ru1 S6 94.3(2) . . ?
N11 Ru1 S6 174.2(2) . . ?
N2 Ru1 S6 91.7(2) . . ?
N15 Ru1 S4 94.6(3) . . ?
N11 Ru1 S4 93.3(2) . . ?
N2 Ru1 S4 179.5(2) . . ?
S6 Ru1 S4 88.61(10) . . ?
N15 Ru1 S5 176.2(3) . . ?
N11 Ru1 S5 97.1(2) . . ?
N2 Ru1 S5 91.6(2) . . ?
S6 Ru1 S5 88.39(10) . . ?
S4 Ru1 S5 88.05(10) . . ?
N12 Ru2 N10 85.1(3) . . ?
N12 Ru2 N6 86.4(3) . . ?
N10 Ru2 N6 79.6(3) . . ?
N12 Ru2 S1 177.8(2) . . ?
N10 Ru2 S1 94.9(2) . . ?
N6 Ru2 S1 91.5(2) . . ?
N12 Ru2 S3 92.0(3) . . ?
N10 Ru2 S3 176.9(2) . . ?
N6 Ru2 S3 99.0(2) . . ?
S1 Ru2 S3 87.96(10) . . ?
N12 Ru2 S2 93.3(2) . . ?
N10 Ru2 S2 93.3(2) . . ?
N6 Ru2 S2 172.9(3) . . ?
S1 Ru2 S2 88.92(10) . . ?
S3 Ru2 S2 88.07(10) . . ?
N5 Ru3 N7 85.1(3) . . ?
N5 Ru3 N1 80.6(3) . . ?
N7 Ru3 N1 85.5(3) . . ?
N5 Ru3 S8 93.3(3) . . ?
N7 Ru3 S8 92.5(2) . . ?
N1 Ru3 S8 173.8(2) . . ?
N5 Ru3 S9 95.3(2) . . ?
N7 Ru3 S9 178.6(2) . . ?
N1 Ru3 S9 93.2(2) . . ?
S8 Ru3 S9 88.83(10) . . ?
N5 Ru3 S7 176.7(2) . . ?
N7 Ru3 S7 91.7(2) . . ?
N1 Ru3 S7 98.2(2) . . ?
S8 Ru3 S7 87.77(10) . . ?
S9 Ru3 S7 87.81(10) . . ?
C6 S1 C1 99.7(6) . . ?
C6 S1 Ru2 103.4(4) . . ?
C1 S1 Ru2 106.0(4) . . ?
C2 S2 C3 103.3(6) . . ?
C2 S2 Ru2 102.5(4) . . ?
C3 S2 Ru2 107.0(4) . . ?
C4 S3 C5 100.8(6) . . ?
C4 S3 Ru2 102.5(4) . . ?
C5 S3 Ru2 106.6(4) . . ?
C12 S4 C7 99.4(5) . . ?
C12 S4 Ru1 106.1(4) . . ?
C7 S4 Ru1 103.3(4) . . ?
C9 S5 C8 102.0(5) . . ?
C9 S5 Ru1 102.8(4) . . ?
C8 S5 Ru1 105.7(4) . . ?
C11 S6 C10 101.6(5) . . ?
C11 S6 Ru1 104.2(4) . . ?
C10 S6 Ru1 107.1(4) . . ?
C13 S7 C18 101.6(6) . . ?
C13 S7 Ru3 102.2(4) . . ?
C18 S7 Ru3 105.6(4) . . ?
C15 S8 C14 102.6(6) . . ?
C15 S8 Ru3 103.2(4) . . ?
C14 S8 Ru3 108.3(4) . . ?
C17 S9 C16 98.5(6) . . ?
C17 S9 Ru3 104.2(4) . . ?
C16 S9 Ru3 106.7(4) . . ?
C19 N1 Ru3 110.0(6) . . ?
C19 N1 H1 125.0 . . ?
Ru3 N1 H1 125.0 . . ?
C20 N2 C19 116.8(9) . . ?
C20 N2 Ru1 117.3(7) . . ?
C19 N2 Ru1 125.9(7) . . ?
C20 N3 C21 111.1(9) . . ?
C22 N4 C21 106.0(9) . . ?
C22 N4 C36 128.6(10) . . ?
C21 N4 C36 125.4(9) . . ?
C22 N5 C23 105.5(9) . . ?
C22 N5 Ru3 149.0(8) . . ?
C23 N5 Ru3 104.7(7) . . ?
C28 N6 Ru2 113.4(7) . . ?
C28 N6 H6 123.3 . . ?
Ru2 N6 H6 123.3 . . ?
C24 N7 C28 118.6(9) . . ?
C24 N7 Ru3 118.0(7) . . ?
C28 N7 Ru3 123.3(7) . . ?
C24 N8 C25 110.2(9) . . ?
C26 N9 C25 105.4(9) . . ?
C26 N9 C35 128.1(10) . . ?
C25 N9 C35 126.4(10) . . ?
C26 N10 C27 102.1(9) . . ?
C26 N10 Ru2 149.5(8) . . ?
C27 N10 Ru2 105.7(7) . . ?
C29 N11 Ru1 112.6(7) . . ?
C29 N11 H11 123.7 . . ?
Ru1 N11 H11 123.7 . . ?
C30 N12 C29 117.3(9) . . ?
C30 N12 Ru2 118.8(7) . . ?
C29 N12 Ru2 123.8(7) . . ?
C30 N13 C31 109.2(9) . . ?
C32 N14 C31 105.2(9) . . ?
C32 N14 C34 127.9(10) . . ?
C31 N14 C34 126.6(10) . . ?
C32 N15 C33 102.1(9) . . ?
C32 N15 Ru1 148.4(7) . . ?
C33 N15 Ru1 106.7(7) . . ?
C2 C1 S1 110.1(8) . . ?
C2 C1 H1C 109.6 . . ?
S1 C1 H1C 109.6 . . ?
C2 C1 H1D 109.6 . . ?
S1 C1 H1D 109.6 . . ?
H1C C1 H1D 108.2 . . ?
C1 C2 S2 115.2(8) . . ?
C1 C2 H2A 108.5 . . ?
S2 C2 H2A 108.5 . . ?
C1 C2 H2B 108.5 . . ?
S2 C2 H2B 108.5 . . ?
H2A C2 H2B 107.5 . . ?
C4 C3 S2 111.2(8) . . ?
C4 C3 H3A 109.4 . . ?
S2 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
S2 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C3 C4 S3 113.3(8) . . ?
C3 C4 H4A 108.9 . . ?
S3 C4 H4A 108.9 . . ?
C3 C4 H4B 108.9 . . ?
S3 C4 H4B 108.9 . . ?
H4A C4 H4B 107.7 . . ?
C6 C5 S3 109.8(8) . . ?
C6 C5 H5A 109.7 . . ?
S3 C5 H5A 109.7 . . ?
C6 C5 H5B 109.7 . . ?
S3 C5 H5B 109.7 . . ?
H5A C5 H5B 108.2 . . ?
C5 C6 S1 111.9(8) . . ?
C5 C6 H6C 109.2 . . ?
S1 C6 H6C 109.2 . . ?
C5 C6 H6D 109.2 . . ?
S1 C6 H6D 109.2 . . ?
H6C C6 H6D 107.9 . . ?
C8 C7 S4 111.8(8) . . ?
C8 C7 H7A 109.3 . . ?
S4 C7 H7A 109.3 . . ?
C8 C7 H7B 109.3 . . ?
S4 C7 H7B 109.3 . . ?
H7A C7 H7B 107.9 . . ?
C7 C8 S5 111.1(8) . . ?
C7 C8 H8A 109.4 . . ?
S5 C8 H8A 109.4 . . ?
C7 C8 H8B 109.4 . . ?
S5 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 S5 113.2(7) . . ?
C10 C9 H9A 108.9 . . ?
S5 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
S5 C9 H9B 108.9 . . ?
H9A C9 H9B 107.8 . . ?
C9 C10 S6 111.4(7) . . ?
C9 C10 H10A 109.3 . . ?
S6 C10 H10A 109.3 . . ?
C9 C10 H10B 109.3 . . ?
S6 C10 H10B 109.3 . . ?
H10A C10 H10B 108.0 . . ?
C12 C11 S6 112.8(8) . . ?
C12 C11 H11C 109.0 . . ?
S6 C11 H11C 109.0 . . ?
C12 C11 H11D 109.0 . . ?
S6 C11 H11D 109.0 . . ?
H11C C11 H11D 107.8 . . ?
C11 C12 S4 111.9(8) . . ?
C11 C12 H12A 109.2 . . ?
S4 C12 H12A 109.2 . . ?
C11 C12 H12B 109.2 . . ?
S4 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C14 C13 S7 113.6(8) . . ?
C14 C13 H13A 108.8 . . ?
S7 C13 H13A 108.8 . . ?
C14 C13 H13B 108.8 . . ?
S7 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
C13 C14 S8 110.0(8) . . ?
C13 C14 H14A 109.7 . . ?
S8 C14 H14A 109.7 . . ?
C13 C14 H14B 109.7 . . ?
S8 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C16 C15 S8 116.7(9) . . ?
C16 C15 H15A 108.1 . . ?
S8 C15 H15A 108.1 . . ?
C16 C15 H15B 108.1 . . ?
S8 C15 H15B 108.1 . . ?
H15A C15 H15B 107.3 . . ?
C15 C16 S9 110.0(9) . . ?
C15 C16 H16A 109.7 . . ?
S9 C16 H16A 109.7 . . ?
C15 C16 H16B 109.7 . . ?
S9 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
C18 C17 S9 112.4(9) . . ?
C18 C17 H17A 109.1 . . ?
S9 C17 H17A 109.1 . . ?
C18 C17 H17B 109.1 . . ?
S9 C17 H17B 109.1 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 S7 109.8(9) . . ?
C17 C18 H18A 109.7 . . ?
S7 C18 H18A 109.7 . . ?
C17 C18 H18B 109.7 . . ?
S7 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
N1 C19 C23 115.7(9) . . ?
N1 C19 N2 128.9(9) . . ?
C23 C19 N2 115.3(9) . . ?
N3 C20 N2 130.2(10) . . ?
N3 C20 H20 114.9 . . ?
N2 C20 H20 114.9 . . ?
C23 C21 N3 124.3(10) . . ?
C23 C21 N4 105.8(9) . . ?
N3 C21 N4 129.9(10) . . ?
N5 C22 N4 112.2(10) . . ?
N5 C22 H22 123.9 . . ?
N4 C22 H22 123.9 . . ?
C21 C23 C19 122.1(10) . . ?
C21 C23 N5 110.4(10) . . ?
C19 C23 N5 127.3(10) . . ?
N8 C24 N7 130.5(10) . . ?
N8 C24 H24 114.8 . . ?
N7 C24 H24 114.8 . . ?
C27 C25 N8 124.3(10) . . ?
C27 C25 N9 106.1(10) . . ?
N8 C25 N9 129.6(10) . . ?
N10 C26 N9 114.3(10) . . ?
N10 C26 H26 122.9 . . ?
N9 C26 H26 122.9 . . ?
C25 C27 N10 112.1(10) . . ?
C25 C27 C28 123.6(11) . . ?
N10 C27 C28 124.4(10) . . ?
N6 C28 N7 132.2(10) . . ?
N6 C28 C27 115.1(10) . . ?
N7 C28 C27 112.6(10) . . ?
N11 C29 N12 131.4(10) . . ?
N11 C29 C33 114.9(9) . . ?
N12 C29 C33 113.7(9) . . ?
N13 C30 N12 130.9(10) . . ?
N13 C30 H30 114.6 . . ?
N12 C30 H30 114.6 . . ?
C33 C31 N13 126.5(10) . . ?
C33 C31 N14 105.4(10) . . ?
N13 C31 N14 128.1(10) . . ?
N15 C32 N14 113.4(9) . . ?
N15 C32 H32 123.3 . . ?
N14 C32 H32 123.3 . . ?
C31 C33 N15 113.9(10) . . ?
C31 C33 C29 122.0(10) . . ?
N15 C33 C29 124.0(10) . . ?
N14 C34 H34A 109.5 . . ?
N14 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N14 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N9 C35 H35A 109.5 . . ?
N9 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
N9 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N4 C36 H36A 109.5 . . ?
N4 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N4 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
F4' P1 F5' 110.6(17) . . ?
F4' P1 F1 95.9(14) . . ?
F5' P1 F1 92.1(13) . . ?
F4' P1 F2 167.8(16) . . ?
F5' P1 F2 78.3(14) . . ?
F1 P1 F2 91.9(10) . . ?
F4' P1 F3 79.0(18) . . ?
F5' P1 F3 79.0(17) . . ?
F1 P1 F3 167.3(15) . . ?
F2 P1 F3 95.1(14) . . ?
F4' P1 F6 80.6(15) . . ?
F5' P1 F6 167.3(15) . . ?
F1 P1 F6 92.6(10) . . ?
F2 P1 F6 89.8(10) . . ?
F3 P1 F6 98.0(14) . . ?
F4' P1 F5 93.2(16) . . ?
F5' P1 F5 18.5(13) . . ?
F1 P1 F5 87.8(12) . . ?
F2 P1 F5 96.4(13) . . ?
F3 P1 F5 80.9(15) . . ?
F6 P1 F5 173.8(13) . . ?
F4' P1 F3' 88.2(16) . . ?
F5' P1 F3' 91.7(16) . . ?
F1 P1 F3' 173.0(13) . . ?
F2 P1 F3' 83.1(13) . . ?
F3 P1 F3' 19.6(12) . . ?
F6 P1 F3' 82.5(13) . . ?
F5 P1 F3' 97.7(14) . . ?
F4' P1 F4 15.0(17) . . ?
F5' P1 F4 99.3(17) . . ?
F1 P1 F4 86.6(13) . . ?
F2 P1 F4 177.2(15) . . ?
F3 P1 F4 85.9(16) . . ?
F6 P1 F4 92.7(14) . . ?
F5 P1 F4 81.1(15) . . ?
F3' P1 F4 98.5(15) . . ?
F12 P2 F11 90.1(7) . . ?
F12 P2 F10 89.9(6) . . ?
F11 P2 F10 90.8(5) . . ?
F12 P2 F7 90.0(5) . . ?
F11 P2 F7 90.9(5) . . ?
F10 P2 F7 178.3(5) . . ?
F12 P2 F9 178.6(6) . . ?
F11 P2 F9 91.3(7) . . ?
F10 P2 F9 90.1(6) . . ?
F7 P2 F9 90.0(5) . . ?
F12 P2 F8 89.7(5) . . ?
F11 P2 F8 179.4(5) . . ?
F10 P2 F8 89.8(5) . . ?
F7 P2 F8 88.6(4) . . ?
F9 P2 F8 88.9(5) . . ?
F13 P3 F14 89.5(3) . 2_655 ?
F13 P3 F14 89.5(3) . . ?
F14 P3 F14 179.1(7) 2_655 . ?
F13 P3 F15 91.4(5) . . ?
F14 P3 F15 91.4(4) 2_655 . ?
F14 P3 F15 88.6(4) . . ?
F13 P3 F15 91.4(5) . 2_655 ?
F14 P3 F15 88.6(4) 2_655 2_655 ?
F14 P3 F15 91.4(4) . 2_655 ?
F15 P3 F15 177.3(9) . 2_655 ?
F13 P3 F16 180.000(3) . . ?
F14 P3 F16 90.5(3) 2_655 . ?
F14 P3 F16 90.5(3) . . ?
F15 P3 F16 88.6(5) . . ?
F15 P3 F16 88.6(5) 2_655 . ?
F22 P4 F17 89.9(4) . . ?
F22 P4 F17 89.9(4) . 2_656 ?
F17 P4 F17 179.9(7) . 2_656 ?
F22 P4 F18 180.000(2) . . ?
F17 P4 F18 90.1(4) . . ?
F17 P4 F18 90.1(4) 2_656 . ?
F22 P4 F19 89.7(4) . . ?
F17 P4 F19 89.6(4) . . ?
F17 P4 F19 90.4(4) 2_656 . ?
F18 P4 F19 90.3(4) . . ?
F22 P4 F19 89.7(4) . 2_656 ?
F17 P4 F19 90.4(4) . 2_656 ?
F17 P4 F19 89.6(4) 2_656 2_656 ?
F18 P4 F19 90.3(4) . 2_656 ?
F19 P4 F19 179.4(8) . 2_656 ?
F23 P5 F23 47.9(16) . 2_756 ?
F23 P5 F20 148.6(13) . . ?
F23 P5 F20 100.9(12) 2_756 . ?
F23 P5 F20 100.9(12) . 2_756 ?
F23 P5 F20 148.6(13) 2_756 2_756 ?
F20 P5 F20 110(2) . 2_756 ?
F23 P5 F20' 158.1(11) . . ?
F23 P5 F20' 118.2(11) 2_756 . ?
F20 P5 F20' 23.5(10) . . ?
F20 P5 F20' 92.4(13) 2_756 . ?
F23 P5 F20' 118.2(11) . 2_756 ?
F23 P5 F20' 158.1(11) 2_756 2_756 ?
F20 P5 F20' 92.5(13) . 2_756 ?
F20 P5 F20' 23.5(10) 2_756 2_756 ?
F20' P5 F20' 80.0(16) . 2_756 ?
F23 P5 F23' 79.3(13) . 2_756 ?
F23 P5 F23' 35.0(9) 2_756 2_756 ?
F20 P5 F23' 69.9(11) . 2_756 ?
F20 P5 F23' 166.3(11) 2_756 2_756 ?
F20' P5 F23' 83.7(11) . 2_756 ?
F20' P5 F23' 162.3(12) 2_756 2_756 ?
F23 P5 F23' 35.0(9) . . ?
F23 P5 F23' 79.3(13) 2_756 . ?
F20 P5 F23' 166.3(11) . . ?
F20 P5 F23' 69.9(11) 2_756 . ?
F20' P5 F23' 162.3(12) . . ?
F20' P5 F23' 83.7(11) 2_756 . ?
F23' P5 F23' 113.3(16) 2_756 . ?
F23 P5 F21 83.0(9) . . ?
F23 P5 F21 96.4(9) 2_756 . ?
F20 P5 F21 100.0(10) . . ?
F20 P5 F21 80.3(10) 2_756 . ?
F20' P5 F21 82.2(9) . . ?
F20' P5 F21 98.3(9) 2_756 . ?
F23' P5 F21 86.1(8) 2_756 . ?
F23' P5 F21 93.5(8) . . ?
F23 P5 F21 96.4(9) . 2_756 ?
F23 P5 F21 83.0(9) 2_756 2_756 ?
F20 P5 F21 80.3(10) . 2_756 ?
F20 P5 F21 100.0(10) 2_756 2_756 ?
F20' P5 F21 98.3(9) . 2_756 ?
F20' P5 F21 82.2(9) 2_756 2_756 ?
F23' P5 F21 93.5(8) 2_756 2_756 ?
F23' P5 F21 86.1(8) . 2_756 ?
F21 P5 F21 179.4(9) . 2_756 ?
F23 F23 P5 66.0(8) 2_756 . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.891
_refine_diff_density_min         -1.964
_refine_diff_density_rms         0.245
