# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_is_hm220b
_database_code_depnum_ccdc_archive 'CCDC 2013704'
loop_
_audit_author_name
_audit_author_address
'Alexander Villinger'
;University Rostock
Germany
;
_audit_update_record             
;
2020-07-02 deposited with the CCDC.	2020-08-25 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7

#==============================================================================

# CHEMICAL DATA

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C62 H68 N4 P2'
_chemical_formula_sum            'C62 H68 N4 P2'
_chemical_formula_weight         931.14

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

#==============================================================================

# CRYSTAL DATA

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   18.4644(18)
_cell_length_b                   12.0348(12)
_cell_length_c                   47.112(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.726(2)
_cell_angle_gamma                90
_cell_volume                     10416.9(18)
_cell_formula_units_Z            8
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9703
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      33.28

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_F_000             3984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    0.127
_shelx_estimated_absorpt_T_min   0.973
_shelx_estimated_absorpt_T_max   0.982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7096
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2014)'

#==============================================================================

# EXPERIMENTAL DATA


_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker D8 QUEST diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            114341
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_av_R_equivalents  0.0668
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -65
_diffrn_reflns_limit_l_max       66
_diffrn_reflns_theta_min         2.023
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             15205
_reflns_number_gt                11086
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker Apex V7.51A'
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'

#==============================================================================

# REFINEMENT DATA 

_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 > 2σ(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     
'w=1/[σ²(Fo²)+(0.0460P)²+11.4682P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15205
_refine_ls_number_parameters     630
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0445
_refine_ls_wR_factor_ref         0.1155
_refine_ls_wR_factor_gt          0.1007
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

#==============================================================================

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.33509(2) 0.83161(3) 0.35144(2) 0.01516(8) Uani 1 1 d . . . . .
P2 P 0.44810(2) 0.71524(3) 0.37354(2) 0.01581(8) Uani 1 1 d . . . . .
N1 N 0.35495(6) 0.69186(9) 0.36182(2) 0.0160(2) Uani 1 1 d . . . . .
N2 N 0.36256(6) 0.88129(9) 0.38536(2) 0.0150(2) Uani 1 1 d . . . . .
N3 N 0.46379(6) 0.87570(10) 0.41923(2) 0.0175(2) Uani 1 1 d . . . . .
N4 N 0.46310(7) 0.85555(10) 0.32190(3) 0.0192(2) Uani 1 1 d . . . . .
C1 C 0.33841(7) 0.59801(11) 0.34344(3) 0.0164(3) Uani 1 1 d . . . . .
C2 C 0.29556(8) 0.60656(11) 0.31689(3) 0.0195(3) Uani 1 1 d . . . . .
C3 C 0.28466(10) 0.51228(13) 0.29974(3) 0.0286(3) Uani 1 1 d . . . . .
H3 H 0.2558 0.5186 0.2820 0.034 Uiso 1 1 calc R U . . .
C4 C 0.31420(11) 0.41029(13) 0.30765(3) 0.0342(4) Uani 1 1 d . . . . .
H4 H 0.3081 0.3482 0.2952 0.041 Uiso 1 1 calc R U . . .
C5 C 0.35282(10) 0.40117(12) 0.33413(3) 0.0281(3) Uani 1 1 d . . . . .
H5 H 0.3721 0.3308 0.3401 0.034 Uiso 1 1 calc R U . . .
C6 C 0.36450(8) 0.49183(11) 0.35246(3) 0.0193(3) Uani 1 1 d . . . . .
C7 C 0.25231(8) 0.70515(11) 0.30558(3) 0.0184(3) Uani 1 1 d . . . . .
C8 C 0.18409(8) 0.72417(12) 0.31564(3) 0.0215(3) Uani 1 1 d . . . . .
C9 C 0.13761(9) 0.80281(14) 0.30224(3) 0.0274(3) Uani 1 1 d . . . . .
H9 H 0.0915 0.8149 0.3090 0.033 Uiso 1 1 calc R U . . .
C10 C 0.15659(9) 0.86447(13) 0.27919(3) 0.0292(3) Uani 1 1 d . . . . .
C11 C 0.22412(9) 0.84643(13) 0.26994(3) 0.0267(3) Uani 1 1 d . . . . .
H11 H 0.2384 0.8897 0.2546 0.032 Uiso 1 1 calc R U . . .
C12 C 0.27235(8) 0.76681(12) 0.28236(3) 0.0214(3) Uani 1 1 d . . . . .
C13 C 0.16150(9) 0.65926(15) 0.34052(3) 0.0300(3) Uani 1 1 d . . . . .
H13A H 0.1143 0.6865 0.3455 0.045 Uiso 1 1 calc R U . . .
H13B H 0.1980 0.6685 0.3569 0.045 Uiso 1 1 calc R U . . .
H13C H 0.1574 0.5804 0.3354 0.045 Uiso 1 1 calc R U . . .
C14 C 0.10387(12) 0.94688(17) 0.26424(4) 0.0445(5) Uani 1 1 d . . . . .
H14A H 0.1298 1.0156 0.2605 0.067 Uiso 1 1 calc R U . . .
H14B H 0.0650 0.9631 0.2764 0.067 Uiso 1 1 calc R U . . .
H14C H 0.0826 0.9152 0.2461 0.067 Uiso 1 1 calc R U . . .
C15 C 0.34393(9) 0.75004(15) 0.27010(3) 0.0289(3) Uani 1 1 d . . . . .
H15A H 0.3352 0.7407 0.2494 0.043 Uiso 1 1 calc R U . . .
H15B H 0.3680 0.6835 0.2785 0.043 Uiso 1 1 calc R U . . .
H15C H 0.3751 0.8150 0.2744 0.043 Uiso 1 1 calc R U . . .
C16 C 0.39665(8) 0.46187(11) 0.38194(3) 0.0192(3) Uani 1 1 d . . . . .
C17 C 0.46847(9) 0.42290(12) 0.38686(3) 0.0236(3) Uani 1 1 d . . . . .
C18 C 0.49151(9) 0.37419(13) 0.41308(3) 0.0269(3) Uani 1 1 d . . . . .
H18 H 0.5403 0.3488 0.4165 0.032 Uiso 1 1 calc R U . . .
C19 C 0.44540(9) 0.36161(12) 0.43435(3) 0.0260(3) Uani 1 1 d . . . . .
C20 C 0.37496(9) 0.40166(12) 0.42926(3) 0.0238(3) Uani 1 1 d . . . . .
H20 H 0.3431 0.3953 0.4438 0.029 Uiso 1 1 calc R U . . .
C21 C 0.34947(8) 0.45097(11) 0.40339(3) 0.0197(3) Uani 1 1 d . . . . .
C22 C 0.52102(10) 0.43065(16) 0.36437(4) 0.0368(4) Uani 1 1 d . . . . .
H22A H 0.5699 0.4099 0.3727 0.055 Uiso 1 1 calc R U . . .
H22B H 0.5218 0.5070 0.3572 0.055 Uiso 1 1 calc R U . . .
H22C H 0.5055 0.3801 0.3486 0.055 Uiso 1 1 calc R U . . .
C23 C 0.47107(12) 0.30644(17) 0.46228(4) 0.0410(4) Uani 1 1 d . . . . .
H23A H 0.4292 0.2755 0.4708 0.061 Uiso 1 1 calc R U . . .
H23B H 0.4956 0.3613 0.4753 0.061 Uiso 1 1 calc R U . . .
H23C H 0.5051 0.2466 0.4589 0.061 Uiso 1 1 calc R U . . .
C24 C 0.27137(8) 0.48733(13) 0.39841(3) 0.0256(3) Uani 1 1 d . . . . .
H24A H 0.2454 0.4642 0.4146 0.038 Uiso 1 1 calc R U . . .
H24B H 0.2486 0.4531 0.3809 0.038 Uiso 1 1 calc R U . . .
H24C H 0.2692 0.5684 0.3966 0.038 Uiso 1 1 calc R U . . .
C25 C 0.32969(7) 0.97765(11) 0.39703(3) 0.0164(3) Uani 1 1 d . . . . .
C26 C 0.30716(8) 0.97488(12) 0.42463(3) 0.0193(3) Uani 1 1 d . . . . .
C27 C 0.27363(9) 1.06901(13) 0.43465(3) 0.0269(3) Uani 1 1 d . . . . .
H27 H 0.2585 1.0682 0.4533 0.032 Uiso 1 1 calc R U . . .
C28 C 0.26193(10) 1.16342(13) 0.41809(4) 0.0319(4) Uani 1 1 d . . . . .
H28 H 0.2387 1.2264 0.4253 0.038 Uiso 1 1 calc R U . . .
C29 C 0.28445(9) 1.16513(12) 0.39103(4) 0.0269(3) Uani 1 1 d . . . . .
H29 H 0.2767 1.2301 0.3797 0.032 Uiso 1 1 calc R U . . .
C30 C 0.31835(8) 1.07325(11) 0.38006(3) 0.0191(3) Uani 1 1 d . . . . .
C31 C 0.31318(7) 0.87516(12) 0.44360(3) 0.0184(3) Uani 1 1 d . . . . .
C32 C 0.26552(7) 0.78581(12) 0.43768(3) 0.0186(3) Uani 1 1 d . . . . .
C33 C 0.26837(8) 0.69579(12) 0.45632(3) 0.0221(3) Uani 1 1 d . . . . .
H33 H 0.2366 0.6346 0.4521 0.027 Uiso 1 1 calc R U . . .
C34 C 0.31632(8) 0.69301(13) 0.48098(3) 0.0244(3) Uani 1 1 d . . . . .
C35 C 0.36101(8) 0.78444(14) 0.48699(3) 0.0258(3) Uani 1 1 d . . . . .
H35 H 0.3930 0.7848 0.5041 0.031 Uiso 1 1 calc R U . . .
C36 C 0.36050(8) 0.87570(13) 0.46877(3) 0.0232(3) Uani 1 1 d . . . . .
C37 C 0.20888(8) 0.78912(13) 0.41238(3) 0.0245(3) Uani 1 1 d . . . . .
H37A H 0.1768 0.7245 0.4129 0.037 Uiso 1 1 calc R U . . .
H37B H 0.2329 0.7877 0.3947 0.037 Uiso 1 1 calc R U . . .
H37C H 0.1801 0.8573 0.4130 0.037 Uiso 1 1 calc R U . . .
C38 C 0.31968(10) 0.59337(15) 0.50044(4) 0.0336(4) Uani 1 1 d . . . . .
H38A H 0.3421 0.6147 0.5194 0.050 Uiso 1 1 calc R U . . .
H38B H 0.3488 0.5349 0.4926 0.050 Uiso 1 1 calc R U . . .
H38C H 0.2703 0.5657 0.5020 0.050 Uiso 1 1 calc R U . . .
C39 C 0.41043(9) 0.97211(15) 0.47686(4) 0.0327(4) Uani 1 1 d . . . . .
H39A H 0.4533 0.9455 0.4889 0.049 Uiso 1 1 calc R U . . .
H39B H 0.3847 1.0272 0.4874 0.049 Uiso 1 1 calc R U . . .
H39C H 0.4257 1.0064 0.4595 0.049 Uiso 1 1 calc R U . . .
C40 C 0.34015(8) 1.08285(11) 0.35047(3) 0.0201(3) Uani 1 1 d . . . . .
C41 C 0.28629(9) 1.08008(12) 0.32720(3) 0.0266(3) Uani 1 1 d . . . . .
C42 C 0.30677(11) 1.09566(14) 0.29987(4) 0.0343(4) Uani 1 1 d . . . . .
H42 H 0.2706 1.0925 0.2841 0.041 Uiso 1 1 calc R U . . .
C43 C 0.37842(11) 1.11569(14) 0.29496(4) 0.0352(4) Uani 1 1 d . . . . .
C44 C 0.43024(10) 1.12215(13) 0.31833(4) 0.0300(4) Uani 1 1 d . . . . .
H44 H 0.4792 1.1386 0.3153 0.036 Uiso 1 1 calc R U . . .
C45 C 0.41268(9) 1.10529(11) 0.34604(3) 0.0227(3) Uani 1 1 d . . . . .
C46 C 0.20802(10) 1.05960(15) 0.33177(4) 0.0359(4) Uani 1 1 d . . . . .
H46A H 0.1790 1.0535 0.3133 0.054 Uiso 1 1 calc R U . . .
H46B H 0.1899 1.1215 0.3426 0.054 Uiso 1 1 calc R U . . .
H46C H 0.2042 0.9904 0.3425 0.054 Uiso 1 1 calc R U . . .
C47 C 0.39997(15) 1.12767(19) 0.26502(4) 0.0554(6) Uani 1 1 d . . . . .
H47A H 0.4391 1.1826 0.2649 0.083 Uiso 1 1 calc R U . . .
H47B H 0.3578 1.1523 0.2523 0.083 Uiso 1 1 calc R U . . .
H47C H 0.4170 1.0559 0.2585 0.083 Uiso 1 1 calc R U . . .
C48 C 0.46997(9) 1.11106(14) 0.37091(4) 0.0288(3) Uani 1 1 d . . . . .
H48A H 0.5168 1.1307 0.3641 0.043 Uiso 1 1 calc R U . . .
H48B H 0.4741 1.0386 0.3804 0.043 Uiso 1 1 calc R U . . .
H48C H 0.4565 1.1676 0.3844 0.043 Uiso 1 1 calc R U . . .
C49 C 0.42738(7) 0.83292(11) 0.39767(3) 0.0154(2) Uani 1 1 d . . . . .
C50 C 0.52558(7) 0.82895(12) 0.43476(3) 0.0183(3) Uani 1 1 d . . . . .
C51 C 0.52639(8) 0.72128(12) 0.44638(3) 0.0204(3) Uani 1 1 d . . . . .
C52 C 0.58816(9) 0.68704(14) 0.46362(3) 0.0270(3) Uani 1 1 d . . . . .
H52 H 0.5898 0.6138 0.4712 0.032 Uiso 1 1 calc R U . . .
C53 C 0.64713(9) 0.75673(16) 0.47001(3) 0.0310(4) Uani 1 1 d . . . . .
H53 H 0.6888 0.7314 0.4817 0.037 Uiso 1 1 calc R U . . .
C54 C 0.64482(8) 0.86338(15) 0.45923(3) 0.0275(3) Uani 1 1 d . . . . .
H54 H 0.6851 0.9116 0.4638 0.033 Uiso 1 1 calc R U . . .
C55 C 0.58473(8) 0.90177(13) 0.44183(3) 0.0225(3) Uani 1 1 d . . . . .
C56 C 0.46248(9) 0.64378(12) 0.44185(3) 0.0239(3) Uani 1 1 d . . . . .
H56A H 0.4597 0.5985 0.4590 0.036 Uiso 1 1 calc R U . . .
H56B H 0.4685 0.5952 0.4256 0.036 Uiso 1 1 calc R U . . .
H56C H 0.4176 0.6871 0.4380 0.036 Uiso 1 1 calc R U . . .
C57 C 0.58208(9) 1.01941(14) 0.43128(4) 0.0310(4) Uani 1 1 d . . . . .
H57A H 0.6172 1.0645 0.4433 0.046 Uiso 1 1 calc R U . . .
H57B H 0.5330 1.0494 0.4322 0.046 Uiso 1 1 calc R U . . .
H57C H 0.5943 1.0212 0.4115 0.046 Uiso 1 1 calc R U . . .
C58 C 0.43259(7) 0.82235(11) 0.34285(3) 0.0169(3) Uani 1 1 d . . . . .
C59 C 0.54010(8) 0.82831(13) 0.31775(3) 0.0222(3) Uani 1 1 d . . . . .
C60 C 0.56279(9) 0.91092(15) 0.29566(4) 0.0324(4) Uani 1 1 d . . . . .
H60A H 0.6127 0.8949 0.2916 0.049 Uiso 1 1 calc R U . . .
H60B H 0.5603 0.9866 0.3032 0.049 Uiso 1 1 calc R U . . .
H60C H 0.5299 0.9042 0.2781 0.049 Uiso 1 1 calc R U . . .
C61 C 0.54124(9) 0.71094(14) 0.30553(4) 0.0315(4) Uani 1 1 d . . . . .
H61A H 0.5906 0.6929 0.3011 0.047 Uiso 1 1 calc R U . . .
H61B H 0.5077 0.7067 0.2881 0.047 Uiso 1 1 calc R U . . .
H61C H 0.5262 0.6578 0.3196 0.047 Uiso 1 1 calc R U . . .
C62 C 0.59053(9) 0.83860(15) 0.34541(3) 0.0304(4) Uani 1 1 d . . . . .
H62A H 0.6413 0.8321 0.3412 0.046 Uiso 1 1 calc R U . . .
H62B H 0.5795 0.7793 0.3586 0.046 Uiso 1 1 calc R U . . .
H62C H 0.5831 0.9110 0.3542 0.046 Uiso 1 1 calc R U . . .


#==============================================================================

# MOLECULAR GEOMETRY

_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
P1 N2 1.7340(12) . ?
P1 N1 1.7794(12) . ?
P1 C58 1.8875(14) . ?
P1 P2 2.6393(5) . ?
P2 N1 1.7757(12) . ?
P2 C49 1.8795(14) . ?
P2 C58 1.9369(14) . ?
N1 C1 1.4376(17) . ?
N2 C49 1.4033(17) . ?
N2 C25 1.4428(17) . ?
N3 C49 1.2697(17) . ?
N3 C50 1.4095(18) . ?
N4 C58 1.2498(18) . ?
N4 C59 1.4908(18) . ?
C1 C2 1.4152(19) . ?
C1 C6 1.4159(19) . ?
C2 C3 1.396(2) . ?
C2 C7 1.4981(19) . ?
C3 C4 1.379(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.395(2) . ?
C5 H5 0.9500 . ?
C6 C16 1.4989(19) . ?
C7 C12 1.402(2) . ?
C7 C8 1.408(2) . ?
C8 C9 1.387(2) . ?
C8 C13 1.502(2) . ?
C9 C10 1.389(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.378(2) . ?
C10 C14 1.514(2) . ?
C11 C12 1.396(2) . ?
C11 H11 0.9500 . ?
C12 C15 1.508(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.404(2) . ?
C16 C21 1.405(2) . ?
C17 C18 1.395(2) . ?
C17 C22 1.509(2) . ?
C18 C19 1.387(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.385(2) . ?
C19 C23 1.507(2) . ?
C20 C21 1.394(2) . ?
C20 H20 0.9500 . ?
C21 C24 1.503(2) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C30 1.4048(19) . ?
C25 C26 1.4047(19) . ?
C26 C27 1.396(2) . ?
C26 C31 1.494(2) . ?
C27 C28 1.383(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.380(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.395(2) . ?
C29 H29 0.9500 . ?
C30 C40 1.493(2) . ?
C31 C32 1.400(2) . ?
C31 C36 1.401(2) . ?
C32 C33 1.392(2) . ?
C32 C37 1.506(2) . ?
C33 C34 1.389(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.387(2) . ?
C34 C38 1.507(2) . ?
C35 C36 1.393(2) . ?
C35 H35 0.9500 . ?
C36 C39 1.507(2) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C45 1.402(2) . ?
C40 C41 1.405(2) . ?
C41 C42 1.391(2) . ?
C41 C46 1.503(2) . ?
C42 C43 1.387(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.387(3) . ?
C43 C47 1.510(2) . ?
C44 C45 1.391(2) . ?
C44 H44 0.9500 . ?
C45 C48 1.500(2) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C50 C51 1.406(2) . ?
C50 C55 1.414(2) . ?
C51 C52 1.395(2) . ?
C51 C56 1.503(2) . ?
C52 C53 1.384(2) . ?
C52 H52 0.9500 . ?
C53 C54 1.379(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.391(2) . ?
C54 H54 0.9500 . ?
C55 C57 1.500(2) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C59 C61 1.526(2) . ?
C59 C60 1.528(2) . ?
C59 C62 1.529(2) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?

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
N2 P1 N1 92.25(5) . . ?
N2 P1 C58 91.18(6) . . ?
N1 P1 C58 80.12(6) . . ?
N2 P1 P2 70.88(4) . . ?
N1 P1 P2 42.01(4) . . ?
C58 P1 P2 47.14(4) . . ?
N1 P2 C49 93.33(6) . . ?
N1 P2 C58 78.87(6) . . ?
C49 P2 C58 85.77(6) . . ?
N1 P2 P1 42.12(4) . . ?
C49 P2 P1 68.78(4) . . ?
C58 P2 P1 45.59(4) . . ?
C1 N1 P2 116.91(9) . . ?
C1 N1 P1 123.46(9) . . ?
P2 N1 P1 95.87(6) . . ?
C49 N2 C25 123.35(11) . . ?
C49 N2 P1 113.38(9) . . ?
C25 N2 P1 122.19(9) . . ?
C49 N3 C50 126.14(12) . . ?
C58 N4 C59 122.96(12) . . ?
C2 C1 C6 118.32(12) . . ?
C2 C1 N1 122.80(12) . . ?
C6 C1 N1 118.86(12) . . ?
C3 C2 C1 119.20(13) . . ?
C3 C2 C7 113.39(13) . . ?
C1 C2 C7 127.09(12) . . ?
C4 C3 C2 122.48(14) . . ?
C4 C3 H3 118.8 . . ?
C2 C3 H3 118.8 . . ?
C5 C4 C3 118.04(14) . . ?
C5 C4 H4 121.0 . . ?
C3 C4 H4 121.0 . . ?
C4 C5 C6 122.16(14) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 119.54(13) . . ?
C5 C6 C16 114.08(12) . . ?
C1 C6 C16 125.93(12) . . ?
C12 C7 C8 119.41(13) . . ?
C12 C7 C2 121.59(13) . . ?
C8 C7 C2 118.18(13) . . ?
C9 C8 C7 119.46(14) . . ?
C9 C8 C13 120.18(14) . . ?
C7 C8 C13 120.36(14) . . ?
C8 C9 C10 121.84(15) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 H9 119.1 . . ?
C11 C10 C9 118.02(14) . . ?
C11 C10 C14 121.08(16) . . ?
C9 C10 C14 120.88(17) . . ?
C10 C11 C12 122.35(15) . . ?
C10 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C11 C12 C7 118.89(14) . . ?
C11 C12 C15 118.57(14) . . ?
C7 C12 C15 122.53(13) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 119.57(13) . . ?
C17 C16 C6 120.90(13) . . ?
C21 C16 C6 118.19(13) . . ?
C18 C17 C16 119.10(14) . . ?
C18 C17 C22 119.14(14) . . ?
C16 C17 C22 121.76(14) . . ?
C19 C18 C17 122.07(15) . . ?
C19 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
C20 C19 C18 118.06(14) . . ?
C20 C19 C23 120.83(15) . . ?
C18 C19 C23 121.11(16) . . ?
C19 C20 C21 121.92(14) . . ?
C19 C20 H20 119.0 . . ?
C21 C20 H20 119.0 . . ?
C20 C21 C16 119.28(14) . . ?
C20 C21 C24 119.68(13) . . ?
C16 C21 C24 120.99(13) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 120.34(12) . . ?
C30 C25 N2 119.08(12) . . ?
C26 C25 N2 120.55(12) . . ?
C27 C26 C25 118.44(13) . . ?
C27 C26 C31 117.32(13) . . ?
C25 C26 C31 124.16(12) . . ?
C28 C27 C26 121.72(14) . . ?
C28 C27 H27 119.1 . . ?
C26 C27 H27 119.1 . . ?
C29 C28 C27 119.26(14) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C28 C29 C30 121.21(15) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 H29 119.4 . . ?
C29 C30 C25 119.03(13) . . ?
C29 C30 C40 117.20(13) . . ?
C25 C30 C40 123.77(12) . . ?
C32 C31 C36 119.91(13) . . ?
C32 C31 C26 119.35(13) . . ?
C36 C31 C26 120.37(13) . . ?
C33 C32 C31 119.24(13) . . ?
C33 C32 C37 119.98(13) . . ?
C31 C32 C37 120.70(13) . . ?
C34 C33 C32 121.82(14) . . ?
C34 C33 H33 119.1 . . ?
C32 C33 H33 119.1 . . ?
C35 C34 C33 117.90(14) . . ?
C35 C34 C38 121.30(15) . . ?
C33 C34 C38 120.79(15) . . ?
C34 C35 C36 122.16(14) . . ?
C34 C35 H35 118.9 . . ?
C36 C35 H35 118.9 . . ?
C35 C36 C31 118.88(14) . . ?
C35 C36 C39 119.01(14) . . ?
C31 C36 C39 122.10(14) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C45 C40 C41 120.05(14) . . ?
C45 C40 C30 120.28(13) . . ?
C41 C40 C30 119.38(13) . . ?
C42 C41 C40 118.85(16) . . ?
C42 C41 C46 120.60(16) . . ?
C40 C41 C46 120.54(15) . . ?
C43 C42 C41 122.02(16) . . ?
C43 C42 H42 119.0 . . ?
C41 C42 H42 119.0 . . ?
C42 C43 C44 118.12(15) . . ?
C42 C43 C47 121.15(19) . . ?
C44 C43 C47 120.72(19) . . ?
C43 C44 C45 121.99(16) . . ?
C43 C44 H44 119.0 . . ?
C45 C44 H44 119.0 . . ?
C44 C45 C40 118.91(15) . . ?
C44 C45 C48 120.93(15) . . ?
C40 C45 C48 120.16(13) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N3 C49 N2 121.61(12) . . ?
N3 C49 P2 131.76(11) . . ?
N2 C49 P2 106.21(9) . . ?
C51 C50 N3 123.13(13) . . ?
C51 C50 C55 120.09(13) . . ?
N3 C50 C55 116.17(13) . . ?
C52 C51 C50 118.38(14) . . ?
C52 C51 C56 118.95(14) . . ?
C50 C51 C56 122.62(13) . . ?
C53 C52 C51 121.84(16) . . ?
C53 C52 H52 119.1 . . ?
C51 C52 H52 119.1 . . ?
C54 C53 C52 119.29(15) . . ?
C54 C53 H53 120.4 . . ?
C52 C53 H53 120.4 . . ?
C53 C54 C55 121.30(15) . . ?
C53 C54 H54 119.3 . . ?
C55 C54 H54 119.3 . . ?
C54 C55 C50 119.01(15) . . ?
C54 C55 C57 120.45(14) . . ?
C50 C55 C57 120.53(13) . . ?
C51 C56 H56A 109.5 . . ?
C51 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C51 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N4 C58 P1 131.70(11) . . ?
N4 C58 P2 139.24(11) . . ?
P1 C58 P2 87.27(6) . . ?
N4 C59 C61 107.59(12) . . ?
N4 C59 C60 106.03(12) . . ?
C61 C59 C60 109.29(13) . . ?
N4 C59 C62 112.23(12) . . ?
C61 C59 C62 111.48(13) . . ?
C60 C59 C62 110.04(13) . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C59 C62 H62A 109.5 . . ?
C59 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C59 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?

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
C49 P2 N1 C1 -174.86(10) . . . . ?
C58 P2 N1 C1 100.12(10) . . . . ?
P1 P2 N1 C1 132.36(12) . . . . ?
C49 P2 N1 P1 52.78(6) . . . . ?
C58 P2 N1 P1 -32.24(6) . . . . ?
N2 P1 N1 C1 174.40(11) . . . . ?
C58 P1 N1 C1 -94.79(11) . . . . ?
P2 P1 N1 C1 -127.84(13) . . . . ?
N2 P1 N1 P2 -57.76(6) . . . . ?
C58 P1 N1 P2 33.04(6) . . . . ?
N1 P1 N2 C49 43.52(10) . . . . ?
C58 P1 N2 C49 -36.64(10) . . . . ?
P2 P1 N2 C49 6.72(8) . . . . ?
N1 P1 N2 C25 -147.98(10) . . . . ?
C58 P1 N2 C25 131.86(11) . . . . ?
P2 P1 N2 C25 175.21(11) . . . . ?
P2 N1 C1 C2 -127.54(12) . . . . ?
P1 N1 C1 C2 -9.31(18) . . . . ?
P2 N1 C1 C6 54.02(15) . . . . ?
P1 N1 C1 C6 172.26(10) . . . . ?
C6 C1 C2 C3 -4.3(2) . . . . ?
N1 C1 C2 C3 177.25(14) . . . . ?
C6 C1 C2 C7 168.74(14) . . . . ?
N1 C1 C2 C7 -9.7(2) . . . . ?
C1 C2 C3 C4 0.0(3) . . . . ?
C7 C2 C3 C4 -174.01(16) . . . . ?
C2 C3 C4 C5 3.2(3) . . . . ?
C3 C4 C5 C6 -2.0(3) . . . . ?
C4 C5 C6 C1 -2.4(3) . . . . ?
C4 C5 C6 C16 170.38(16) . . . . ?
C2 C1 C6 C5 5.5(2) . . . . ?
N1 C1 C6 C5 -176.02(13) . . . . ?
C2 C1 C6 C16 -166.33(14) . . . . ?
N1 C1 C6 C16 12.2(2) . . . . ?
C3 C2 C7 C12 -75.53(18) . . . . ?
C1 C2 C7 C12 111.08(17) . . . . ?
C3 C2 C7 C8 94.06(17) . . . . ?
C1 C2 C7 C8 -79.33(19) . . . . ?
C12 C7 C8 C9 0.6(2) . . . . ?
C2 C7 C8 C9 -169.23(13) . . . . ?
C12 C7 C8 C13 -179.89(13) . . . . ?
C2 C7 C8 C13 10.3(2) . . . . ?
C7 C8 C9 C10 -0.5(2) . . . . ?
C13 C8 C9 C10 179.97(15) . . . . ?
C8 C9 C10 C11 -0.7(2) . . . . ?
C8 C9 C10 C14 177.76(16) . . . . ?
C9 C10 C11 C12 1.9(2) . . . . ?
C14 C10 C11 C12 -176.55(16) . . . . ?
C10 C11 C12 C7 -1.9(2) . . . . ?
C10 C11 C12 C15 177.76(15) . . . . ?
C8 C7 C12 C11 0.5(2) . . . . ?
C2 C7 C12 C11 170.02(13) . . . . ?
C8 C7 C12 C15 -179.06(14) . . . . ?
C2 C7 C12 C15 -9.6(2) . . . . ?
C5 C6 C16 C17 68.79(19) . . . . ?
C1 C6 C16 C17 -119.02(16) . . . . ?
C5 C6 C16 C21 -97.93(16) . . . . ?
C1 C6 C16 C21 74.26(19) . . . . ?
C21 C16 C17 C18 -0.1(2) . . . . ?
C6 C16 C17 C18 -166.65(14) . . . . ?
C21 C16 C17 C22 178.89(15) . . . . ?
C6 C16 C17 C22 12.4(2) . . . . ?
C16 C17 C18 C19 0.9(2) . . . . ?
C22 C17 C18 C19 -178.14(15) . . . . ?
C17 C18 C19 C20 -1.6(2) . . . . ?
C17 C18 C19 C23 178.66(16) . . . . ?
C18 C19 C20 C21 1.6(2) . . . . ?
C23 C19 C20 C21 -178.68(15) . . . . ?
C19 C20 C21 C16 -0.8(2) . . . . ?
C19 C20 C21 C24 176.66(14) . . . . ?
C17 C16 C21 C20 0.1(2) . . . . ?
C6 C16 C21 C20 166.99(13) . . . . ?
C17 C16 C21 C24 -177.39(13) . . . . ?
C6 C16 C21 C24 -10.5(2) . . . . ?
C49 N2 C25 C30 121.40(14) . . . . ?
P1 N2 C25 C30 -45.94(16) . . . . ?
C49 N2 C25 C26 -60.65(18) . . . . ?
P1 N2 C25 C26 132.01(12) . . . . ?
C30 C25 C26 C27 -0.1(2) . . . . ?
N2 C25 C26 C27 -178.07(13) . . . . ?
C30 C25 C26 C31 176.51(13) . . . . ?
N2 C25 C26 C31 -1.4(2) . . . . ?
C25 C26 C27 C28 0.4(2) . . . . ?
C31 C26 C27 C28 -176.49(15) . . . . ?
C26 C27 C28 C29 -0.5(3) . . . . ?
C27 C28 C29 C30 0.4(3) . . . . ?
C28 C29 C30 C25 -0.1(2) . . . . ?
C28 C29 C30 C40 179.49(15) . . . . ?
C26 C25 C30 C29 0.0(2) . . . . ?
N2 C25 C30 C29 177.97(13) . . . . ?
C26 C25 C30 C40 -179.58(13) . . . . ?
N2 C25 C30 C40 -1.6(2) . . . . ?
C27 C26 C31 C32 103.04(16) . . . . ?
C25 C26 C31 C32 -73.65(18) . . . . ?
C27 C26 C31 C36 -70.02(18) . . . . ?
C25 C26 C31 C36 113.30(16) . . . . ?
C36 C31 C32 C33 -3.1(2) . . . . ?
C26 C31 C32 C33 -176.23(13) . . . . ?
C36 C31 C32 C37 173.49(13) . . . . ?
C26 C31 C32 C37 0.4(2) . . . . ?
C31 C32 C33 C34 1.3(2) . . . . ?
C37 C32 C33 C34 -175.40(14) . . . . ?
C32 C33 C34 C35 1.3(2) . . . . ?
C32 C33 C34 C38 -178.44(14) . . . . ?
C33 C34 C35 C36 -2.0(2) . . . . ?
C38 C34 C35 C36 177.73(15) . . . . ?
C34 C35 C36 C31 0.1(2) . . . . ?
C34 C35 C36 C39 179.72(15) . . . . ?
C32 C31 C36 C35 2.5(2) . . . . ?
C26 C31 C36 C35 175.47(13) . . . . ?
C32 C31 C36 C39 -177.11(14) . . . . ?
C26 C31 C36 C39 -4.1(2) . . . . ?
C29 C30 C40 C45 100.69(17) . . . . ?
C25 C30 C40 C45 -79.71(18) . . . . ?
C29 C30 C40 C41 -73.11(18) . . . . ?
C25 C30 C40 C41 106.49(17) . . . . ?
C45 C40 C41 C42 2.4(2) . . . . ?
C30 C40 C41 C42 176.25(13) . . . . ?
C45 C40 C41 C46 -178.11(14) . . . . ?
C30 C40 C41 C46 -4.3(2) . . . . ?
C40 C41 C42 C43 -1.1(2) . . . . ?
C46 C41 C42 C43 179.42(15) . . . . ?
C41 C42 C43 C44 -1.2(2) . . . . ?
C41 C42 C43 C47 177.44(16) . . . . ?
C42 C43 C44 C45 2.3(2) . . . . ?
C47 C43 C44 C45 -176.34(16) . . . . ?
C43 C44 C45 C40 -1.0(2) . . . . ?
C43 C44 C45 C48 179.08(14) . . . . ?
C41 C40 C45 C44 -1.4(2) . . . . ?
C30 C40 C45 C44 -175.14(13) . . . . ?
C41 C40 C45 C48 178.50(13) . . . . ?
C30 C40 C45 C48 4.7(2) . . . . ?
C50 N3 C49 N2 173.83(12) . . . . ?
C50 N3 C49 P2 -14.7(2) . . . . ?
C25 N2 C49 N3 -4.2(2) . . . . ?
P1 N2 C49 N3 164.10(11) . . . . ?
C25 N2 C49 P2 -177.64(10) . . . . ?
P1 N2 C49 P2 -9.30(11) . . . . ?
N1 P2 C49 N3 158.58(14) . . . . ?
C58 P2 C49 N3 -122.85(14) . . . . ?
P1 P2 C49 N3 -166.46(15) . . . . ?
N1 P2 C49 N2 -28.95(9) . . . . ?
C58 P2 C49 N2 49.61(9) . . . . ?
P1 P2 C49 N2 6.00(7) . . . . ?
C49 N3 C50 C51 -53.7(2) . . . . ?
C49 N3 C50 C55 135.22(14) . . . . ?
N3 C50 C51 C52 -174.06(13) . . . . ?
C55 C50 C51 C52 -3.3(2) . . . . ?
N3 C50 C51 C56 3.5(2) . . . . ?
C55 C50 C51 C56 174.27(13) . . . . ?
C50 C51 C52 C53 1.5(2) . . . . ?
C56 C51 C52 C53 -176.15(14) . . . . ?
C51 C52 C53 C54 0.5(2) . . . . ?
C52 C53 C54 C55 -0.7(2) . . . . ?
C53 C54 C55 C50 -1.1(2) . . . . ?
C53 C54 C55 C57 177.60(15) . . . . ?
C51 C50 C55 C54 3.1(2) . . . . ?
N3 C50 C55 C54 174.47(13) . . . . ?
C51 C50 C55 C57 -175.55(14) . . . . ?
N3 C50 C55 C57 -4.2(2) . . . . ?
C59 N4 C58 P1 -172.89(11) . . . . ?
C59 N4 C58 P2 -13.5(2) . . . . ?
N2 P1 C58 N4 -131.07(14) . . . . ?
N1 P1 C58 N4 136.85(15) . . . . ?
P2 P1 C58 N4 166.70(17) . . . . ?
N2 P1 C58 P2 62.23(6) . . . . ?
N1 P1 C58 P2 -29.86(5) . . . . ?
C58 N4 C59 C61 80.06(17) . . . . ?
C58 N4 C59 C60 -163.10(14) . . . . ?
C58 N4 C59 C62 -42.94(19) . . . . ?

_refine_diff_density_max         0.339
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.053

