# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1005127'
_audit_update_record             
;
2014-05-24 deposited with the CCDC.	2019-09-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H60 F12 Mn N8 O6 P2'
_chemical_formula_weight         1454.14

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'
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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

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

_cell_length_a                   10.897(3)
_cell_length_b                   10.372(3)
_cell_length_c                   29.943(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.400(4)
_cell_angle_gamma                90.00
_cell_volume                     3363.1(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1494
_exptl_absorpt_coefficient_mu    0.336
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9297
_exptl_absorpt_correction_T_max  0.9389
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24371
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_sigmaI/netI    0.0752
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         1.96
_diffrn_reflns_theta_max         25.50
_reflns_number_total             6249
_reflns_number_gt                2978
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1695P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6249
_refine_ls_number_parameters     489
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1662
_refine_ls_R_factor_gt           0.0863
_refine_ls_wR_factor_ref         0.2902
_refine_ls_wR_factor_gt          0.2481
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.005

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
C1 C -0.1394(7) 0.4277(7) 0.6900(2) 0.089(2) Uani 1 1 d . . .
H1 H -0.2135 0.4389 0.6718 0.106 Uiso 1 1 calc R . .
C2 C -0.0619(7) 0.3376(8) 0.6782(2) 0.098(2) Uani 1 1 d . . .
H2 H -0.0806 0.2898 0.6521 0.118 Uiso 1 1 calc R . .
C3 C 0.0442(7) 0.3172(8) 0.7051(2) 0.107(3) Uani 1 1 d . . .
H3 H 0.1006 0.2560 0.6975 0.128 Uiso 1 1 calc R . .
C4 C 0.0678(6) 0.3881(7) 0.7440(2) 0.093(2) Uani 1 1 d . . .
H4 H 0.1379 0.3714 0.7638 0.111 Uiso 1 1 calc R . .
C5 C -0.0126(5) 0.4836(5) 0.75339(17) 0.0599(14) Uani 1 1 d . . .
C6 C 0.0093(5) 0.5708(5) 0.79292(17) 0.0587(14) Uani 1 1 d . . .
C7 C 0.1186(4) 0.5732(5) 0.82110(17) 0.0579(13) Uani 1 1 d . . .
H7 H 0.1822 0.5164 0.8166 0.070 Uiso 1 1 calc R . .
C8 C 0.1326(5) 0.6607(5) 0.85613(17) 0.0571(13) Uani 1 1 d . . .
C9 C 0.0333(4) 0.7374(5) 0.86342(16) 0.0549(13) Uani 1 1 d . . .
H9 H 0.0395 0.7942 0.8876 0.066 Uiso 1 1 calc R . .
C10 C -0.0751(5) 0.7302(5) 0.83495(16) 0.0556(13) Uani 1 1 d . . .
C11 C -0.1875(4) 0.8051(5) 0.83986(17) 0.0551(13) Uani 1 1 d . . .
C12 C -0.1998(5) 0.8835(6) 0.87669(19) 0.0682(16) Uani 1 1 d . . .
H12 H -0.1356 0.8914 0.8998 0.082 Uiso 1 1 calc R . .
C13 C -0.3098(6) 0.9496(7) 0.8783(2) 0.0867(19) Uani 1 1 d . . .
H13 H -0.3204 1.0032 0.9025 0.104 Uiso 1 1 calc R . .
C14 C -0.4015(5) 0.9353(7) 0.8443(2) 0.086(2) Uani 1 1 d . . .
H14 H -0.4761 0.9783 0.8452 0.104 Uiso 1 1 calc R . .
C15 C -0.3844(5) 0.8581(6) 0.8091(2) 0.0790(18) Uani 1 1 d . . .
H15 H -0.4488 0.8497 0.7862 0.095 Uiso 1 1 calc R . .
C16 C 0.2532(5) 0.6682(5) 0.88549(18) 0.0579(14) Uani 1 1 d . . .
C17 C 0.3621(5) 0.6385(5) 0.86799(18) 0.0621(14) Uani 1 1 d . . .
H17 H 0.3590 0.6189 0.8376 0.074 Uiso 1 1 calc R . .
C18 C 0.4747(5) 0.6366(5) 0.89380(18) 0.0641(15) Uani 1 1 d . . .
H18 H 0.5458 0.6158 0.8809 0.077 Uiso 1 1 calc R . .
C19 C 0.4817(5) 0.6662(5) 0.93952(17) 0.0566(13) Uani 1 1 d . A .
C20 C 0.3740(5) 0.7042(5) 0.95679(17) 0.0586(14) Uani 1 1 d . . .
H20 H 0.3776 0.7287 0.9868 0.070 Uiso 1 1 calc R . .
C21 C 0.2618(5) 0.7064(5) 0.93034(17) 0.0587(13) Uani 1 1 d . . .
H21 H 0.1913 0.7335 0.9426 0.070 Uiso 1 1 calc R . .
C22 C 0.6918(5) 0.5736(6) 0.95412(18) 0.0633(15) Uani 1 1 d . A .
C23 C 0.6692(5) 0.4505(6) 0.93899(18) 0.0646(14) Uani 1 1 d . . .
H23 H 0.5898 0.4167 0.9371 0.078 Uiso 1 1 calc R . .
C24 C 0.7674(7) 0.3752(7) 0.9263(2) 0.089(2) Uani 1 1 d . A .
H24 H 0.7528 0.2913 0.9161 0.107 Uiso 1 1 calc R . .
C25 C 0.8863(6) 0.4264(8) 0.9290(2) 0.085(2) Uani 1 1 d . . .
C26 C 0.9041(6) 0.5483(9) 0.9459(2) 0.092(2) Uani 1 1 d . A .
H26 H 0.9838 0.5815 0.9496 0.111 Uiso 1 1 calc R . .
C27 C 0.8100(5) 0.6233(7) 0.9578(2) 0.0824(19) Uani 1 1 d . . .
H27 H 0.8254 0.7069 0.9681 0.099 Uiso 1 1 calc R A .
C29 C 0.6189(4) 0.7219(5) 1.00804(19) 0.0609(14) Uani 1 1 d . A .
C30 C 0.6592(5) 0.6561(6) 1.0471(2) 0.0655(15) Uani 1 1 d . . .
H30 H 0.6617 0.5665 1.0470 0.079 Uiso 1 1 calc R . .
C31 C 0.6956(5) 0.7222(7) 1.08593(19) 0.0749(17) Uani 1 1 d . A .
H31 H 0.7230 0.6760 1.1118 0.090 Uiso 1 1 calc R . .
C32 C 0.6929(6) 0.8539(7) 1.0879(2) 0.0809(18) Uani 1 1 d . . .
C33 C 0.6465(6) 0.9168(7) 1.0495(3) 0.088(2) Uani 1 1 d . A .
H33 H 0.6392 1.0061 1.0502 0.106 Uiso 1 1 calc R . .
C34 C 0.6101(6) 0.8533(6) 1.0097(2) 0.0819(19) Uani 1 1 d . . .
H34 H 0.5799 0.8995 0.9842 0.098 Uiso 1 1 calc R A .
F1 F -0.0452(6) -0.0023(9) 0.04695(19) 0.206(3) Uani 1 1 d . . .
F2 F 0.0157(9) 0.1392(6) 0.0069(3) 0.271(5) Uani 1 1 d . . .
F3 F 0.1312(5) -0.0198(6) 0.02357(18) 0.159(2) Uani 1 1 d . . .
F4 F 0.7500 -0.0191(9) 0.2500 0.271(7) Uani 1 2 d S . .
F5 F 0.8634(5) 0.1166(7) 0.2234(2) 0.183(3) Uani 1 1 d . . .
F6 F 0.6794(6) 0.1271(9) 0.2048(2) 0.211(3) Uani 1 1 d . . .
F7 F 0.7500 0.2639(11) 0.2500 0.318(9) Uani 1 2 d S . .
Mn1 Mn -0.2500 0.65296(12) 0.7500 0.0597(4) Uani 1 2 d S . .
N1 N -0.1175(4) 0.5036(4) 0.72644(14) 0.0664(13) Uani 1 1 d . . .
N2 N -0.0860(4) 0.6453(4) 0.79951(13) 0.0567(11) Uani 1 1 d . . .
N3 N -0.2788(4) 0.7928(4) 0.80557(14) 0.0619(12) Uani 1 1 d . . .
N4 N 0.5933(4) 0.6539(4) 0.96688(16) 0.0677(13) Uani 1 1 d . . .
C28 C 0.980(7) 0.329(7) 0.914(3) 0.104(16) Uani 0.49(2) 1 d P A 1
H28A H 1.0624 0.3544 0.9265 0.124 Uiso 0.49(2) 1 calc PR A 1
H28B H 0.9634 0.2446 0.9266 0.124 Uiso 0.49(2) 1 calc PR A 1
O1 O 0.9737(11) 0.3197(15) 0.8657(5) 0.106(5) Uani 0.49(2) 1 d P A 1
H1C H 0.9554 0.3902 0.8545 0.159 Uiso 0.49(2) 1 calc PR A 1
O2 O 0.720(2) 0.874(2) 1.1654(7) 0.153(9) Uani 0.49(2) 1 d P A 1
H2B H 0.7886 0.8967 1.1867 0.229 Uiso 0.49(2) 1 d PR A 1
C35 C 0.761(8) 0.937(8) 1.124(3) 0.104(17) Uani 0.49(2) 1 d P A 1
H35A H 0.8500 0.9310 1.1241 0.125 Uiso 0.49(2) 1 calc PR A 1
H35B H 0.7358 1.0263 1.1217 0.125 Uiso 0.49(2) 1 calc PR A 1
C28' C 1.006(7) 0.372(7) 0.915(3) 0.108(16) Uani 0.51(2) 1 d P A 2
H28C H 1.0391 0.4278 0.8928 0.130 Uiso 0.51(2) 1 calc PR A 2
H28D H 1.0678 0.3596 0.9401 0.130 Uiso 0.51(2) 1 calc PR A 2
O1' O 0.9606(16) 0.247(2) 0.8942(8) 0.151(9) Uani 0.51(2) 1 d P A 2
H1'1 H 1.0091 0.1812 0.9104 0.227 Uiso 0.51(2) 1 d PR A 2
O2' O 0.8196(17) 0.8347(12) 1.1620(4) 0.120(6) Uani 0.51(2) 1 d P A 2
H2'2 H 0.8764 0.8771 1.1749 0.180 Uiso 0.51(2) 1 calc PR A 2
C35' C 0.733(6) 0.924(8) 1.132(3) 0.100(14) Uani 0.51(2) 1 d P A 2
H35C H 0.6620 0.9468 1.1466 0.120 Uiso 0.51(2) 1 calc PR A 2
H35D H 0.7767 1.0028 1.1255 0.120 Uiso 0.51(2) 1 calc PR A 2
O3 O 0.665(2) 0.1259(12) 0.7242(5) 0.52(3) Uani 1 1 d . . .
H3D H 0.5967 0.1650 0.7261 0.627 Uiso 1 1 d R . .
H3C H 0.6820 0.1287 0.6973 0.784 Uiso 1 1 d R . .
P1 P 0.0000 0.0000 0.0000 0.0891(9) Uani 1 2 d S . .
P2 P 0.7500 0.1210(3) 0.2500 0.0885(9) Uani 1 2 d S . .


_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
C1 C2 1.333(9) . ?
C1 N1 1.345(7) . ?
C2 C3 1.350(9) . ?
C3 C4 1.376(9) . ?
C4 C5 1.372(8) . ?
C5 N1 1.340(6) . ?
C5 C6 1.488(7) . ?
C6 N2 1.326(6) . ?
C6 C7 1.381(7) . ?
C7 C8 1.383(7) . ?
C8 C9 1.380(7) . ?
C8 C16 1.500(7) . ?
C9 C10 1.379(6) . ?
C10 N2 1.374(6) . ?
C10 C11 1.472(7) . ?
C11 N3 1.354(6) . ?
C11 C12 1.389(7) . ?
C12 C13 1.387(8) . ?
C13 C14 1.352(8) . ?
C14 C15 1.353(8) . ?
C15 N3 1.349(7) . ?
C16 C17 1.384(7) . ?
C16 C21 1.393(7) . ?
C17 C18 1.375(7) . ?
C18 C19 1.397(7) . ?
C19 C20 1.391(7) . ?
C19 N4 1.395(6) . ?
C20 C21 1.381(6) . ?
C22 C23 1.368(8) . ?
C22 C27 1.380(8) . ?
C22 N4 1.443(7) . ?
C23 C24 1.410(8) . ?
C24 C25 1.395(10) . ?
C25 C26 1.367(10) . ?
C25 C28' 1.52(9) . ?
C25 C28 1.53(9) . ?
C26 C27 1.364(9) . ?
C29 C34 1.368(8) . ?
C29 C30 1.383(7) . ?
C29 N4 1.420(7) . ?
C30 C31 1.370(8) . ?
C31 C32 1.368(9) . ?
C32 C33 1.369(9) . ?
C32 C35' 1.52(10) . ?
C32 C35 1.52(10) . ?
C33 C34 1.381(9) . ?
F1 P1 1.541(5) . ?
F2 P1 1.466(6) . ?
F3 P1 1.536(5) . ?
F4 P2 1.452(10) . ?
F5 P2 1.543(5) . ?
F6 P2 1.483(5) . ?
F7 P2 1.483(11) . ?
Mn1 N2 2.193(4) 2_456 ?
Mn1 N2 2.193(4) . ?
Mn1 N3 2.256(4) . ?
Mn1 N3 2.256(4) 2_456 ?
Mn1 N1 2.282(5) 2_456 ?
Mn1 N1 2.282(5) . ?
C28 O1 1.45(8) . ?
O2 C35 1.50(9) . ?
C28' O1' 1.50(8) . ?
O2' C35' 1.54(8) . ?
P1 F2 1.466(6) 3 ?
P1 F3 1.536(5) 3 ?
P1 F1 1.541(5) 3 ?
P2 F6 1.483(5) 2_655 ?
P2 F5 1.543(5) 2_655 ?

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
C2 C1 N1 124.4(6) . . ?
C1 C2 C3 118.5(7) . . ?
C2 C3 C4 119.2(7) . . ?
C5 C4 C3 119.7(6) . . ?
N1 C5 C4 120.6(5) . . ?
N1 C5 C6 115.8(5) . . ?
C4 C5 C6 123.6(5) . . ?
N2 C6 C7 122.4(5) . . ?
N2 C6 C5 114.4(4) . . ?
C7 C6 C5 123.2(5) . . ?
C6 C7 C8 119.3(5) . . ?
C9 C8 C7 118.5(4) . . ?
C9 C8 C16 121.9(5) . . ?
C7 C8 C16 119.6(5) . . ?
C10 C9 C8 120.2(5) . . ?
N2 C10 C9 120.4(5) . . ?
N2 C10 C11 114.5(4) . . ?
C9 C10 C11 125.1(5) . . ?
N3 C11 C12 122.0(5) . . ?
N3 C11 C10 115.1(5) . . ?
C12 C11 C10 122.9(5) . . ?
C13 C12 C11 118.5(5) . . ?
C14 C13 C12 119.3(6) . . ?
C13 C14 C15 119.8(6) . . ?
N3 C15 C14 123.4(6) . . ?
C17 C16 C21 117.4(4) . . ?
C17 C16 C8 119.9(5) . . ?
C21 C16 C8 122.7(5) . . ?
C18 C17 C16 122.6(5) . . ?
C17 C18 C19 119.7(5) . . ?
C20 C19 N4 121.6(5) . . ?
C20 C19 C18 118.1(5) . . ?
N4 C19 C18 120.3(5) . . ?
C21 C20 C19 121.4(5) . . ?
C20 C21 C16 120.5(5) . . ?
C23 C22 C27 120.4(6) . . ?
C23 C22 N4 121.0(5) . . ?
C27 C22 N4 118.6(6) . . ?
C22 C23 C24 119.5(6) . . ?
C25 C24 C23 120.1(7) . . ?
C26 C25 C24 117.8(6) . . ?
C26 C25 C28' 111(3) . . ?
C24 C25 C28' 131(3) . . ?
C26 C25 C28 130(2) . . ?
C24 C25 C28 112(2) . . ?
C28' C25 C28 20(4) . . ?
C27 C26 C25 122.9(7) . . ?
C26 C27 C22 119.2(7) . . ?
C34 C29 C30 118.6(6) . . ?
C34 C29 N4 121.2(5) . . ?
C30 C29 N4 120.1(5) . . ?
C31 C30 C29 120.4(6) . . ?
C32 C31 C30 122.1(6) . . ?
C31 C32 C33 116.5(6) . . ?
C31 C32 C35' 121(3) . . ?
C33 C32 C35' 123(3) . . ?
C31 C32 C35 126(3) . . ?
C33 C32 C35 116(4) . . ?
C35' C32 C35 16(5) . . ?
C32 C33 C34 122.8(6) . . ?
C29 C34 C33 119.5(6) . . ?
N2 Mn1 N2 175.8(2) 2_456 . ?
N2 Mn1 N3 110.61(15) 2_456 . ?
N2 Mn1 N3 72.23(15) . . ?
N2 Mn1 N3 72.23(15) 2_456 2_456 ?
N2 Mn1 N3 110.61(15) . 2_456 ?
N3 Mn1 N3 99.9(2) . 2_456 ?
N2 Mn1 N1 71.83(16) 2_456 2_456 ?
N2 Mn1 N1 105.21(16) . 2_456 ?
N3 Mn1 N1 93.65(17) . 2_456 ?
N3 Mn1 N1 144.04(15) 2_456 2_456 ?
N2 Mn1 N1 105.21(16) 2_456 . ?
N2 Mn1 N1 71.83(16) . . ?
N3 Mn1 N1 144.04(15) . . ?
N3 Mn1 N1 93.65(17) 2_456 . ?
N1 Mn1 N1 94.5(2) 2_456 . ?
C5 N1 C1 117.4(5) . . ?
C5 N1 Mn1 116.5(3) . . ?
C1 N1 Mn1 125.9(4) . . ?
C6 N2 C10 119.1(4) . . ?
C6 N2 Mn1 120.9(3) . . ?
C10 N2 Mn1 119.5(3) . . ?
C15 N3 C11 117.0(5) . . ?
C15 N3 Mn1 124.8(4) . . ?
C11 N3 Mn1 117.9(3) . . ?
C19 N4 C29 122.6(4) . . ?
C19 N4 C22 121.5(4) . . ?
C29 N4 C22 115.9(4) . . ?
O1 C28 C25 112(5) . . ?
O2 C35 C32 100(5) . . ?
O1' C28' C25 100(4) . . ?
C32 C35' O2' 109(5) . . ?
F2 P1 F2 180.0(8) 3 . ?
F2 P1 F3 88.8(4) 3 3 ?
F2 P1 F3 91.2(4) . 3 ?
F2 P1 F3 91.2(4) 3 . ?
F2 P1 F3 88.8(4) . . ?
F3 P1 F3 180.0(4) 3 . ?
F2 P1 F1 86.0(6) 3 3 ?
F2 P1 F1 94.0(6) . 3 ?
F3 P1 F1 87.4(3) 3 3 ?
F3 P1 F1 92.6(3) . 3 ?
F2 P1 F1 94.0(6) 3 . ?
F2 P1 F1 86.0(6) . . ?
F3 P1 F1 92.6(3) 3 . ?
F3 P1 F1 87.4(3) . . ?
F1 P1 F1 180.0(8) 3 . ?
F4 P2 F6 92.5(4) . 2_655 ?
F4 P2 F6 92.5(4) . . ?
F6 P2 F6 175.1(7) 2_655 . ?
F4 P2 F7 180.000(2) . . ?
F6 P2 F7 87.5(4) 2_655 . ?
F6 P2 F7 87.5(4) . . ?
F4 P2 F5 88.3(3) . . ?
F6 P2 F5 96.2(4) 2_655 . ?
F6 P2 F5 83.9(4) . . ?
F7 P2 F5 91.7(3) . . ?
F4 P2 F5 88.3(3) . 2_655 ?
F6 P2 F5 83.9(4) 2_655 2_655 ?
F6 P2 F5 96.2(4) . 2_655 ?
F7 P2 F5 91.7(3) . 2_655 ?
F5 P2 F5 176.7(6) . 2_655 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 2.2(13) . . . . ?
C1 C2 C3 C4 1.1(13) . . . . ?
C2 C3 C4 C5 -4.1(13) . . . . ?
C3 C4 C5 N1 3.9(11) . . . . ?
C3 C4 C5 C6 -175.8(7) . . . . ?
N1 C5 C6 N2 8.8(7) . . . . ?
C4 C5 C6 N2 -171.6(6) . . . . ?
N1 C5 C6 C7 -172.4(5) . . . . ?
C4 C5 C6 C7 7.3(9) . . . . ?
N2 C6 C7 C8 -3.6(8) . . . . ?
C5 C6 C7 C8 177.7(5) . . . . ?
C6 C7 C8 C9 4.1(8) . . . . ?
C6 C7 C8 C16 -177.0(5) . . . . ?
C7 C8 C9 C10 -2.9(8) . . . . ?
C16 C8 C9 C10 178.3(5) . . . . ?
C8 C9 C10 N2 1.0(8) . . . . ?
C8 C9 C10 C11 178.7(5) . . . . ?
N2 C10 C11 N3 -8.7(7) . . . . ?
C9 C10 C11 N3 173.5(5) . . . . ?
N2 C10 C11 C12 171.6(5) . . . . ?
C9 C10 C11 C12 -6.2(9) . . . . ?
N3 C11 C12 C13 0.7(9) . . . . ?
C10 C11 C12 C13 -179.6(5) . . . . ?
C11 C12 C13 C14 0.4(10) . . . . ?
C12 C13 C14 C15 -0.7(11) . . . . ?
C13 C14 C15 N3 -0.1(11) . . . . ?
C9 C8 C16 C17 -151.2(5) . . . . ?
C7 C8 C16 C17 29.9(8) . . . . ?
C9 C8 C16 C21 27.7(8) . . . . ?
C7 C8 C16 C21 -151.1(5) . . . . ?
C21 C16 C17 C18 4.7(8) . . . . ?
C8 C16 C17 C18 -176.3(5) . . . . ?
C16 C17 C18 C19 -0.3(8) . . . . ?
C17 C18 C19 C20 -3.8(8) . . . . ?
C17 C18 C19 N4 174.4(5) . . . . ?
N4 C19 C20 C21 -174.7(5) . . . . ?
C18 C19 C20 C21 3.4(8) . . . . ?
C19 C20 C21 C16 1.0(8) . . . . ?
C17 C16 C21 C20 -5.0(8) . . . . ?
C8 C16 C21 C20 176.0(5) . . . . ?
C27 C22 C23 C24 -1.2(8) . . . . ?
N4 C22 C23 C24 179.3(5) . . . . ?
C22 C23 C24 C25 -0.3(9) . . . . ?
C23 C24 C25 C26 2.6(9) . . . . ?
C23 C24 C25 C28' -175(4) . . . . ?
C23 C24 C25 C28 179(3) . . . . ?
C24 C25 C26 C27 -3.7(10) . . . . ?
C28' C25 C26 C27 174(3) . . . . ?
C28 C25 C26 C27 -180(4) . . . . ?
C25 C26 C27 C22 2.3(10) . . . . ?
C23 C22 C27 C26 0.2(9) . . . . ?
N4 C22 C27 C26 179.8(5) . . . . ?
C34 C29 C30 C31 -3.3(9) . . . . ?
N4 C29 C30 C31 173.6(5) . . . . ?
C29 C30 C31 C32 0.5(9) . . . . ?
C30 C31 C32 C33 2.8(10) . . . . ?
C30 C31 C32 C35' 180(3) . . . . ?
C30 C31 C32 C35 -163(4) . . . . ?
C31 C32 C33 C34 -3.5(10) . . . . ?
C35' C32 C33 C34 180(3) . . . . ?
C35 C32 C33 C34 163(3) . . . . ?
C30 C29 C34 C33 2.7(9) . . . . ?
N4 C29 C34 C33 -174.1(6) . . . . ?
C32 C33 C34 C29 0.7(11) . . . . ?
C4 C5 N1 C1 -0.7(9) . . . . ?
C6 C5 N1 C1 179.0(5) . . . . ?
C4 C5 N1 Mn1 174.4(5) . . . . ?
C6 C5 N1 Mn1 -5.9(6) . . . . ?
C2 C1 N1 C5 -2.4(10) . . . . ?
C2 C1 N1 Mn1 -177.0(6) . . . . ?
N2 Mn1 N1 C5 -175.3(4) 2_456 . . . ?
N2 Mn1 N1 C5 1.6(4) . . . . ?
N3 Mn1 N1 C5 -0.4(6) . . . . ?
N3 Mn1 N1 C5 112.1(4) 2_456 . . . ?
N1 Mn1 N1 C5 -103.0(4) 2_456 . . . ?
N2 Mn1 N1 C1 -0.7(6) 2_456 . . . ?
N2 Mn1 N1 C1 176.2(6) . . . . ?
N3 Mn1 N1 C1 174.3(5) . . . . ?
N3 Mn1 N1 C1 -73.3(5) 2_456 . . . ?
N1 Mn1 N1 C1 71.7(5) 2_456 . . . ?
C7 C6 N2 C10 1.7(8) . . . . ?
C5 C6 N2 C10 -179.5(4) . . . . ?
C7 C6 N2 Mn1 173.5(4) . . . . ?
C5 C6 N2 Mn1 -7.7(6) . . . . ?
C9 C10 N2 C6 -0.4(7) . . . . ?
C11 C10 N2 C6 -178.3(5) . . . . ?
C9 C10 N2 Mn1 -172.3(4) . . . . ?
C11 C10 N2 Mn1 9.8(6) . . . . ?
N2 Mn1 N2 C6 48.9(4) 2_456 . . . ?
N3 Mn1 N2 C6 -177.6(4) . . . . ?
N3 Mn1 N2 C6 -83.4(4) 2_456 . . . ?
N1 Mn1 N2 C6 93.4(4) 2_456 . . . ?
N1 Mn1 N2 C6 3.6(4) . . . . ?
N2 Mn1 N2 C10 -139.3(4) 2_456 . . . ?
N3 Mn1 N2 C10 -5.8(4) . . . . ?
N3 Mn1 N2 C10 88.4(4) 2_456 . . . ?
N1 Mn1 N2 C10 -94.8(4) 2_456 . . . ?
N1 Mn1 N2 C10 175.4(4) . . . . ?
C14 C15 N3 C11 1.2(9) . . . . ?
C14 C15 N3 Mn1 175.7(5) . . . . ?
C12 C11 N3 C15 -1.5(8) . . . . ?
C10 C11 N3 C15 178.9(5) . . . . ?
C12 C11 N3 Mn1 -176.4(4) . . . . ?
C10 C11 N3 Mn1 3.9(6) . . . . ?
N2 Mn1 N3 C15 3.0(5) 2_456 . . . ?
N2 Mn1 N3 C15 -173.8(5) . . . . ?
N3 Mn1 N3 C15 77.6(5) 2_456 . . . ?
N1 Mn1 N3 C15 -69.0(5) 2_456 . . . ?
N1 Mn1 N3 C15 -171.8(4) . . . . ?
N2 Mn1 N3 C11 177.5(4) 2_456 . . . ?
N2 Mn1 N3 C11 0.7(4) . . . . ?
N3 Mn1 N3 C11 -107.9(4) 2_456 . . . ?
N1 Mn1 N3 C11 105.6(4) 2_456 . . . ?
N1 Mn1 N3 C11 2.7(6) . . . . ?
C20 C19 N4 C29 -24.5(8) . . . . ?
C18 C19 N4 C29 157.4(5) . . . . ?
C20 C19 N4 C22 157.6(5) . . . . ?
C18 C19 N4 C22 -20.5(8) . . . . ?
C34 C29 N4 C19 -55.4(8) . . . . ?
C30 C29 N4 C19 127.8(6) . . . . ?
C34 C29 N4 C22 122.6(6) . . . . ?
C30 C29 N4 C22 -54.2(7) . . . . ?
C23 C22 N4 C19 -47.8(8) . . . . ?
C27 C22 N4 C19 132.6(6) . . . . ?
C23 C22 N4 C29 134.1(5) . . . . ?
C27 C22 N4 C29 -45.4(7) . . . . ?
C26 C25 C28 O1 -105(4) . . . . ?
C24 C25 C28 O1 79(4) . . . . ?
C28' C25 C28 O1 -88(16) . . . . ?
C31 C32 C35 O2 -52(6) . . . . ?
C33 C32 C35 O2 142(3) . . . . ?
C35' C32 C35 O2 23(19) . . . . ?
C26 C25 C28' O1' -175(3) . . . . ?
C24 C25 C28' O1' 2(6) . . . . ?
C28 C25 C28' O1' 18(13) . . . . ?
C31 C32 C35' O2' 23(5) . . . . ?
C33 C32 C35' O2' -161(2) . . . . ?
C35 C32 C35' O2' -91(23) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.822
_refine_diff_density_min         -0.549
_refine_diff_density_rms         0.072
