#------------------------------------------------------------------------------
#$Date: 2020-04-05 12:54:13 +0200 (dom 05 de abr de 2020) $
#$Revision: 250306 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/35/7703573.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7703573
loop_
_publ_author_name
'Takeuchi, Katsuhiko'
'Tanaka, Yuto'
'Tanigawa, Ippei'
'Ozawa, Fumiyuki'
'Choi, Jun-Chul'
_publ_section_title
;
 Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky
 fused-ring Eind group: properties and applications to FLP-type bond
 activation and catalytic CO₂ reduction.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3630
_journal_page_last               3637
_journal_paper_doi               10.1039/d0dt00276c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C70 H103 Cu F6 N P3'
_chemical_formula_weight         1228.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-01-06 deposited with the CCDC.	2020-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                113.263(3)
_cell_angle_beta                 97.23
_cell_angle_gamma                105.296(3)
_cell_formula_units_Z            2
_cell_length_a                   11.873(3)
_cell_length_b                   17.868(5)
_cell_length_c                   18.028(5)
_cell_measurement_reflns_used    7030
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      30.6566
_cell_measurement_theta_min      2.1899
_cell_volume                     3273.0(15)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  Saturn724+
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0537
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27772
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.841
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.465
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8087
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_description       Block
_exptl_crystal_F_000             1316
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.487
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     771
_refine_ls_number_reflns         11498
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0645P)²+1.8198P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1221
_refine_ls_wR_factor_ref         0.1398
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9389
_reflns_number_total             11498
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00276c2.cif
_cod_data_source_block           complex_2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7703573--7703576.cif.
;
_cod_original_cell_volume        3273.2(15)
_cod_database_code               7703573
_shelx_shelxl_version_number     2018/1
_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.
;
_shelx_estimated_absorpt_t_min   0.951
_shelx_estimated_absorpt_t_max   0.982
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu 0.41550(3) 0.77138(2) 0.04220(2) 0.02285(12) Uani 1 1 d . . . . .
P1 P 0.52039(7) 0.78297(5) 0.15895(5) 0.02291(18) Uani 1 1 d . . . . .
P2 P 0.28293(7) 0.77230(5) -0.05472(4) 0.01935(17) Uani 1 1 d . . . . .
N1 N 0.3753(2) 0.87581(14) 0.12298(14) 0.0190(5) Uani 1 1 d . . . . .
C1 C 0.5050(3) 0.87056(18) 0.23183(17) 0.0205(6) Uani 1 1 d . . . . .
H1 H 0.551391 0.896547 0.288165 0.025 Uiso 1 1 calc R U . . .
C2 C 0.2403(2) 0.85493(18) 0.00091(18) 0.0214(6) Uani 1 1 d . . . . .
H2 H 0.186892 0.873256 -0.025995 0.026 Uiso 1 1 calc R U . . .
C3 C 0.4172(2) 0.90616(18) 0.20600(17) 0.0192(6) Uani 1 1 d . . . . .
C4 C 0.3756(3) 0.96508(19) 0.2620(2) 0.0292(7) Uani 1 1 d . . . . .
H4 H 0.406163 0.987031 0.320641 0.035 Uiso 1 1 calc R U . . .
C5 C 0.2888(3) 0.9910(2) 0.2306(2) 0.0349(8) Uani 1 1 d . . . . .
H5 H 0.260328 1.032045 0.267909 0.042 Uiso 1 1 calc R U . . .
C6 C 0.2429(3) 0.95760(19) 0.1451(2) 0.0284(7) Uani 1 1 d . . . . .
H6 H 0.182537 0.974824 0.123391 0.034 Uiso 1 1 calc R U . . .
C7 C 0.2869(2) 0.89833(17) 0.09174(18) 0.0204(6) Uani 1 1 d . . . . .
C8 C 0.6310(3) 0.74590(19) 0.19924(17) 0.0212(6) Uani 1 1 d . . . . .
C9 C 0.7504(3) 0.77133(18) 0.19127(17) 0.0225(6) Uani 1 1 d . . . . .
C10 C 0.8326(3) 0.73678(19) 0.21650(18) 0.0230(6) Uani 1 1 d . . . . .
C11 C 0.7961(3) 0.67537(19) 0.24564(18) 0.0238(7) Uani 1 1 d . . . . .
H11 H 0.851944 0.651420 0.261451 0.029 Uiso 1 1 calc R U . . .
C12 C 0.6789(3) 0.64912(19) 0.25165(17) 0.0219(6) Uani 1 1 d . . . . .
C13 C 0.5951(3) 0.68357(19) 0.22916(17) 0.0225(6) Uani 1 1 d . . . . .
C14 C 0.8094(3) 0.8326(2) 0.1564(2) 0.0277(7) Uani 1 1 d . . . . .
C15 C 0.9334(3) 0.8203(2) 0.1539(2) 0.0293(7) Uani 1 1 d . . . . .
H15 H 0.933384 0.785703 0.095343 0.035 Uiso 1 1 calc R U . . .
H15A H 0.998077 0.877493 0.176314 0.035 Uiso 1 1 calc R U . . .
C16 C 0.9578(3) 0.77311(19) 0.20671(19) 0.0266(7) Uani 1 1 d . . . . .
C17 C 0.6277(3) 0.58537(19) 0.28461(18) 0.0240(6) Uani 1 1 d . . . . .
C18 C 0.4912(3) 0.57247(19) 0.26459(19) 0.0254(7) Uani 1 1 d . . . . .
H18 H 0.459031 0.572635 0.312695 0.030 Uiso 1 1 calc R U . . .
H18A H 0.446348 0.515976 0.215366 0.030 Uiso 1 1 calc R U . . .
C19 C 0.4745(3) 0.64769(19) 0.24620(17) 0.0219(6) Uani 1 1 d . . . . .
C20A C 0.7445(4) 0.8199(4) 0.0737(3) 0.0251(12) Uiso 0.690(6) 1 d . . P A 1
H20A H 0.801273 0.852661 0.052366 0.030 Uiso 0.690(6) 1 calc R U P A 1
H20B H 0.678283 0.843935 0.081094 0.030 Uiso 0.690(6) 1 calc R U P A 1
C21A C 0.6919(4) 0.7251(4) 0.0094(3) 0.0279(12) Uiso 0.690(6) 1 d . . P A 1
H21A H 0.756782 0.700521 0.002597 0.042 Uiso 0.690(6) 1 calc R U P A 1
H21B H 0.653487 0.720712 -0.044245 0.042 Uiso 0.690(6) 1 calc R U P A 1
H21C H 0.631637 0.692957 0.028434 0.042 Uiso 0.690(6) 1 calc R U P A 1
C22A C 0.8379(5) 0.9320(3) 0.2250(3) 0.0273(12) Uiso 0.690(6) 1 d . . P A 1
H22A H 0.759861 0.940920 0.230270 0.033 Uiso 0.690(6) 1 calc R U P A 1
H22B H 0.879671 0.939351 0.279872 0.033 Uiso 0.690(6) 1 calc R U P A 1
C23A C 0.9142(5) 1.0029(3) 0.2071(3) 0.0390(14) Uiso 0.690(6) 1 d . . P A 1
H23A H 0.995012 0.998954 0.207558 0.059 Uiso 0.690(6) 1 calc R U P A 1
H23B H 0.920935 1.059854 0.250077 0.059 Uiso 0.690(6) 1 calc R U P A 1
H23C H 0.875681 0.995561 0.152102 0.059 Uiso 0.690(6) 1 calc R U P A 1
C24 C 1.0028(3) 0.6992(2) 0.1598(2) 0.0285(7) Uani 1 1 d . . . . .
H24 H 1.007591 0.666495 0.192755 0.034 Uiso 1 1 calc R U . . .
H24A H 0.942360 0.658912 0.105746 0.034 Uiso 1 1 calc R U . . .
C25 C 1.1257(3) 0.7275(2) 0.1426(2) 0.0383(8) Uani 1 1 d . . . . .
H25 H 1.123828 0.762860 0.112717 0.058 Uiso 1 1 calc R U . . .
H25A H 1.143829 0.676199 0.108257 0.058 Uiso 1 1 calc R U . . .
H25B H 1.188221 0.761808 0.195622 0.058 Uiso 1 1 calc R U . . .
C26 C 1.0488(3) 0.8388(2) 0.2921(2) 0.0407(9) Uani 1 1 d . . . . .
H26 H 1.125041 0.865958 0.281352 0.049 Uiso 1 1 calc R U . . .
H26A H 1.016086 0.885257 0.319717 0.049 Uiso 1 1 calc R U . . .
C27 C 1.0791(4) 0.8031(3) 0.3533(2) 0.0555(11) Uani 1 1 d . . . . .
H27 H 1.005317 0.778625 0.367246 0.083 Uiso 1 1 calc R U . . .
H27A H 1.138148 0.850016 0.404388 0.083 Uiso 1 1 calc R U . . .
H27B H 1.113127 0.757651 0.327623 0.083 Uiso 1 1 calc R U . . .
C28 C 0.6520(3) 0.4993(2) 0.24177(19) 0.0299(7) Uani 1 1 d . . . . .
H28 H 0.738731 0.510244 0.262771 0.036 Uiso 1 1 calc R U . . .
H28A H 0.605164 0.457174 0.259029 0.036 Uiso 1 1 calc R U . . .
C29 C 0.6203(3) 0.4576(2) 0.1462(2) 0.0382(8) Uani 1 1 d . . . . .
H29 H 0.534298 0.445536 0.124247 0.057 Uiso 1 1 calc R U . . .
H29A H 0.637466 0.403324 0.125019 0.057 Uiso 1 1 calc R U . . .
H29B H 0.668938 0.497404 0.127978 0.057 Uiso 1 1 calc R U . . .
C30 C 0.6877(3) 0.62851(19) 0.37933(18) 0.0265(7) Uani 1 1 d . . . . .
H30 H 0.776445 0.645202 0.387538 0.032 Uiso 1 1 calc R U . . .
H30A H 0.669542 0.682568 0.405942 0.032 Uiso 1 1 calc R U . . .
C31 C 0.6505(3) 0.5743(2) 0.4249(2) 0.0388(8) Uani 1 1 d . . . . .
H31 H 0.562295 0.554041 0.414642 0.058 Uiso 1 1 calc R U . . .
H31A H 0.687659 0.609534 0.485025 0.058 Uiso 1 1 calc R U . . .
H31B H 0.677495 0.524157 0.404424 0.058 Uiso 1 1 calc R U . . .
C32 C 0.3620(3) 0.6126(2) 0.1724(2) 0.0324(7) Uani 1 1 d . . . . .
H32 H 0.292160 0.579230 0.184610 0.039 Uiso 1 1 calc R U . . .
H32A H 0.344085 0.662664 0.169766 0.039 Uiso 1 1 calc R U . . .
C33 C 0.3722(3) 0.5547(2) 0.0862(2) 0.0415(9) Uani 1 1 d . . . . .
H33 H 0.439525 0.587191 0.072233 0.062 Uiso 1 1 calc R U . . .
H33A H 0.296821 0.536368 0.044156 0.062 Uiso 1 1 calc R U . . .
H33B H 0.386711 0.503452 0.086897 0.062 Uiso 1 1 calc R U . . .
C34 C 0.4597(3) 0.71917(19) 0.32438(18) 0.0246(7) Uani 1 1 d . . . . .
H34 H 0.530883 0.739332 0.371388 0.029 Uiso 1 1 calc R U . . .
H34A H 0.460943 0.769057 0.312752 0.029 Uiso 1 1 calc R U . . .
C35 C 0.3463(3) 0.6936(2) 0.3527(2) 0.0370(8) Uani 1 1 d . . . . .
H35 H 0.274660 0.675489 0.307694 0.056 Uiso 1 1 calc R U . . .
H35A H 0.346466 0.743277 0.402315 0.056 Uiso 1 1 calc R U . . .
H35B H 0.344709 0.645398 0.366308 0.056 Uiso 1 1 calc R U . . .
C36 C 0.2175(2) 0.72976(18) -0.16550(17) 0.0195(6) Uani 1 1 d . . . . .
C37 C 0.2851(3) 0.7572(2) -0.21447(19) 0.0289(7) Uani 1 1 d . . . . .
C38 C 0.2354(3) 0.7235(3) -0.3000(2) 0.0422(10) Uani 1 1 d . . . . .
C39 C 0.1205(3) 0.6614(2) -0.33845(19) 0.0345(8) Uani 1 1 d . . . . .
H39 H 0.087300 0.639250 -0.396776 0.041 Uiso 1 1 calc R U . . .
C40 C 0.0548(3) 0.63197(19) -0.29146(18) 0.0225(6) Uani 1 1 d . . . . .
C41 C 0.1018(2) 0.66423(18) -0.20572(17) 0.0180(6) Uani 1 1 d . . . . .
C42 C 0.4164(3) 0.8190(3) -0.1890(2) 0.0391(9) Uani 1 1 d . . . . .
C43A C 0.4374(5) 0.8099(4) -0.2776(3) 0.0241(13) Uiso 0.553(5) 1 d . . P B 1
H43A H 0.443510 0.864725 -0.280992 0.029 Uiso 0.553(5) 1 calc R U P B 1
H43B H 0.514587 0.799522 -0.282852 0.029 Uiso 0.553(5) 1 calc R U P B 1
C44A C 0.3324(5) 0.7340(4) -0.3508(3) 0.0267(14) Uiso 0.553(5) 1 d . . P B 1
C43B C 0.3059(5) 0.7838(4) -0.3345(4) 0.0155(15) Uiso 0.447(5) 1 d . . P B 2
C45 C -0.0719(2) 0.56562(19) -0.32408(17) 0.0213(6) Uani 1 1 d . . . . .
C46 C -0.0904(3) 0.54998(18) -0.24679(17) 0.0217(6) Uani 1 1 d . . . . .
H46 H -0.092664 0.490645 -0.257948 0.026 Uiso 1 1 calc R U . . .
H46A H -0.168359 0.555235 -0.236119 0.026 Uiso 1 1 calc R U . . .
C47 C 0.0150(2) 0.61773(18) -0.16865(17) 0.0185(6) Uani 1 1 d . . . . .
C48 C 0.5016(3) 0.7748(3) -0.1656(2) 0.0397(9) Uani 1 1 d . . . . .
H48 H 0.481472 0.763542 -0.118472 0.048 Uiso 1 1 calc R U . . .
H48A H 0.484882 0.717976 -0.213799 0.048 Uiso 1 1 calc R U . . .
C49 C 0.6372(3) 0.8262(3) -0.1408(2) 0.0525(11) Uani 1 1 d . . . . .
H49 H 0.658212 0.839800 -0.186002 0.079 Uiso 1 1 calc R U . . .
H49A H 0.683322 0.791324 -0.131035 0.079 Uiso 1 1 calc R U . . .
H49B H 0.656834 0.880139 -0.089660 0.079 Uiso 1 1 calc R U . . .
C50 C 0.4439(3) 0.9098(2) -0.1167(2) 0.0407(9) Uani 1 1 d . . . . .
H50 H 0.447821 0.904492 -0.063888 0.049 Uiso 1 1 calc R U . . .
H50A H 0.524780 0.947535 -0.112282 0.049 Uiso 1 1 calc R U . . .
C51 C 0.3534(3) 0.9548(3) -0.1244(3) 0.0515(11) Uani 1 1 d . . . . .
H51 H 0.353423 0.965133 -0.173931 0.077 Uiso 1 1 calc R U . . .
H51A H 0.376223 1.010290 -0.074438 0.077 Uiso 1 1 calc R U . . .
H51B H 0.272371 0.917805 -0.129977 0.077 Uiso 1 1 calc R U . . .
C52A C 0.3704(8) 0.6495(6) -0.3939(6) 0.026(3) Uiso 0.553(5) 1 d . . P B 1
H52A H 0.395911 0.632640 -0.350209 0.031 Uiso 0.553(5) 1 calc R U P B 1
H52B H 0.297665 0.601283 -0.435062 0.031 Uiso 0.553(5) 1 calc R U P B 1
C53A C 0.4679(6) 0.6586(5) -0.4369(4) 0.0452(18) Uiso 0.553(5) 1 d . . P B 1
H53A H 0.445228 0.676613 -0.479631 0.068 Uiso 0.553(5) 1 calc R U P B 1
H53B H 0.480014 0.602728 -0.463416 0.068 Uiso 0.553(5) 1 calc R U P B 1
H53C H 0.543021 0.702276 -0.396073 0.068 Uiso 0.553(5) 1 calc R U P B 1
C54A C 0.2879(5) 0.7585(4) -0.4190(4) 0.0316(15) Uiso 0.553(5) 1 d . . P B 1
H54A H 0.356687 0.778037 -0.440679 0.038 Uiso 0.553(5) 1 calc R U P B 1
H54B H 0.226524 0.706258 -0.465891 0.038 Uiso 0.553(5) 1 calc R U P B 1
C55A C 0.2339(7) 0.8287(5) -0.3887(5) 0.042(2) Uiso 0.553(5) 1 d . . P B 1
H55A H 0.173891 0.813876 -0.359443 0.063 Uiso 0.553(5) 1 calc R U P B 1
H55B H 0.194627 0.834233 -0.436504 0.063 Uiso 0.553(5) 1 calc R U P B 1
H55C H 0.297809 0.883848 -0.350317 0.063 Uiso 0.553(5) 1 calc R U P B 1
C52B C 0.3300(6) 0.7216(4) -0.4138(4) 0.0213(16) Uiso 0.447(5) 1 d . . P B 2
H52C H 0.253510 0.690165 -0.458605 0.026 Uiso 0.447(5) 1 calc R U P B 2
H52D H 0.388251 0.756336 -0.432711 0.026 Uiso 0.447(5) 1 calc R U P B 2
C53B C 0.3768(12) 0.6591(8) -0.4028(8) 0.038(4) Uiso 0.447(5) 1 d . . P B 2
H53D H 0.456842 0.689262 -0.363038 0.057 Uiso 0.447(5) 1 calc R U P B 2
H53E H 0.383356 0.619093 -0.456616 0.057 Uiso 0.447(5) 1 calc R U P B 2
H53F H 0.322023 0.626428 -0.381077 0.057 Uiso 0.447(5) 1 calc R U P B 2
C54B C 0.2350(7) 0.8401(5) -0.3565(6) 0.0275(19) Uiso 0.447(5) 1 d . . P B 2
H54C H 0.153925 0.800630 -0.393789 0.033 Uiso 0.447(5) 1 calc R U P B 2
H54D H 0.223208 0.880662 -0.304232 0.033 Uiso 0.447(5) 1 calc R U P B 2
C55B C 0.2958(7) 0.8912(5) -0.3976(5) 0.0316(19) Uiso 0.447(5) 1 d . . P B 2
H55D H 0.376873 0.929883 -0.361890 0.047 Uiso 0.447(5) 1 calc R U P B 2
H55E H 0.248293 0.925838 -0.406088 0.047 Uiso 0.447(5) 1 calc R U P B 2
H55F H 0.302077 0.851604 -0.451715 0.047 Uiso 0.447(5) 1 calc R U P B 2
C56 C -0.0833(3) 0.4819(2) -0.40018(18) 0.0288(7) Uani 1 1 d . . . . .
H56 H -0.164700 0.439005 -0.414225 0.035 Uiso 1 1 calc R U . . .
H56A H -0.077584 0.494887 -0.448384 0.035 Uiso 1 1 calc R U . . .
C57 C 0.0105(3) 0.4400(2) -0.3895(2) 0.0413(9) Uani 1 1 d . . . . .
H57 H 0.091761 0.481103 -0.376834 0.062 Uiso 1 1 calc R U . . .
H57A H -0.003895 0.387702 -0.441262 0.062 Uiso 1 1 calc R U . . .
H57B H 0.003836 0.424353 -0.343471 0.062 Uiso 1 1 calc R U . . .
C58 C -0.1589(3) 0.6071(2) -0.34991(19) 0.0257(7) Uani 1 1 d . . . . .
H58 H -0.140121 0.665875 -0.304056 0.031 Uiso 1 1 calc R U . . .
H58A H -0.141873 0.614154 -0.399597 0.031 Uiso 1 1 calc R U . . .
C59 C -0.2933(3) 0.5580(2) -0.3701(2) 0.0347(8) Uani 1 1 d . . . . .
H59 H -0.313297 0.498965 -0.414352 0.052 Uiso 1 1 calc R U . . .
H59A H -0.339757 0.587949 -0.388962 0.052 Uiso 1 1 calc R U . . .
H59B H -0.313424 0.555301 -0.319885 0.052 Uiso 1 1 calc R U . . .
C60 C 0.0793(3) 0.57162(19) -0.13023(18) 0.0223(6) Uani 1 1 d . . . . .
H60 H 0.104801 0.530786 -0.174560 0.027 Uiso 1 1 calc R U . . .
H60A H 0.153367 0.615745 -0.086935 0.027 Uiso 1 1 calc R U . . .
C61 C 0.0049(3) 0.5217(2) -0.0910(2) 0.0302(7) Uani 1 1 d . . . . .
H61 H -0.015819 0.561963 -0.043983 0.045 Uiso 1 1 calc R U . . .
H61A H 0.052011 0.492796 -0.070839 0.045 Uiso 1 1 calc R U . . .
H61B H -0.069457 0.478096 -0.132842 0.045 Uiso 1 1 calc R U . . .
C62 C -0.0333(3) 0.67760(19) -0.10253(18) 0.0246(7) Uani 1 1 d . . . . .
H62 H -0.095766 0.641031 -0.087709 0.030 Uiso 1 1 calc R U . . .
H62A H 0.033858 0.715546 -0.051480 0.030 Uiso 1 1 calc R U . . .
C63 C -0.0872(3) 0.7344(2) -0.1281(2) 0.0349(8) Uani 1 1 d . . . . .
H63 H -0.026196 0.771776 -0.142171 0.052 Uiso 1 1 calc R U . . .
H63A H -0.113826 0.770405 -0.081784 0.052 Uiso 1 1 calc R U . . .
H63B H -0.156639 0.697749 -0.176967 0.052 Uiso 1 1 calc R U . . .
P3 P 0.000000 1.000000 0.000000 0.0503(4) Uani 1 2 d S . P . .
F1 F -0.12376(18) 1.00794(14) 0.02167(16) 0.0591(7) Uani 1 1 d . . . . .
F2 F 0.07389(19) 1.06945(12) 0.09373(15) 0.0572(7) Uani 1 1 d . . . . .
F3 F -0.01270(18) 0.92321(12) 0.02686(15) 0.0535(6) Uani 1 1 d . . . . .
P4 P 0.52733(17) 0.01176(15) 0.49487(14) 0.0319(5) Uani 0.5 1 d . . P . .
F4 F 0.4510(6) 0.0457(4) 0.5600(3) 0.0463(14) Uani 0.5 1 d . . P . .
F5 F 0.5228(5) 0.0849(4) 0.4654(4) 0.0439(14) Uani 0.5 1 d . . P . .
F6 F 0.4061(5) -0.0530(4) 0.4240(3) 0.0496(14) Uani 0.5 1 d . . P . .
F7 F 0.6030(6) -0.0219(5) 0.4298(4) 0.0637(18) Uani 0.5 1 d . . P . .
F8 F 0.5275(6) -0.0620(4) 0.5231(3) 0.0519(15) Uani 0.5 1 d . . P . .
F9 F 0.6484(5) 0.0752(4) 0.5654(3) 0.0577(16) Uani 0.5 1 d . . P . .
C64A C 0.1641(7) 0.1236(5) 0.4964(5) 0.0444(19) Uiso 0.571(8) 1 d . . P C 1
C65A C 0.0822(6) 0.1524(4) 0.4642(5) 0.0441(19) Uiso 0.571(8) 1 d . . P C 1
H65A H 0.008099 0.148105 0.479868 0.053 Uiso 0.571(8) 1 calc R U P C 1
C66A C 0.1075(7) 0.1887(5) 0.4075(5) 0.0467(19) Uiso 0.571(8) 1 d . . P C 1
H66A H 0.052851 0.210182 0.386110 0.056 Uiso 0.571(8) 1 calc R U P C 1
C67A C 0.2146(7) 0.1909(5) 0.3857(5) 0.0464(19) Uiso 0.571(8) 1 d . . P C 1
H67A H 0.231430 0.211538 0.345734 0.056 Uiso 0.571(8) 1 calc R U P C 1
C68A C 0.2978(6) 0.1649(4) 0.4184(5) 0.0378(19) Uiso 0.571(8) 1 d . . P C 1
H68A H 0.373797 0.171932 0.405329 0.045 Uiso 0.571(8) 1 calc R U P C 1
C69A C 0.2683(6) 0.1268(5) 0.4727(4) 0.0423(18) Uiso 0.571(8) 1 d . . P C 1
H69A H 0.321961 0.103630 0.492378 0.051 Uiso 0.571(8) 1 calc R U P C 1
C70A C 0.1426(8) 0.0924(6) 0.5625(6) 0.066(2) Uiso 0.571(8) 1 d . . P C 1
H70A H 0.166000 0.040947 0.550482 0.099 Uiso 0.571(8) 1 calc R U P C 1
H70B H 0.056769 0.077574 0.561819 0.099 Uiso 0.571(8) 1 calc R U P C 1
H70C H 0.191209 0.138453 0.617792 0.099 Uiso 0.571(8) 1 calc R U P C 1
C64B C 0.1848(9) 0.1422(6) 0.4644(7) 0.048(3) Uiso 0.429(8) 1 d . . P C 2
C65B C 0.0917(9) 0.1557(7) 0.4248(7) 0.045(2) Uiso 0.429(8) 1 d . . P C 2
H65B H 0.017237 0.147989 0.440004 0.054 Uiso 0.429(8) 1 calc R U P C 2
C66B C 0.1073(13) 0.1803(9) 0.3637(10) 0.083(4) Uiso 0.429(8) 1 d . . P C 2
H66B H 0.038964 0.182131 0.331738 0.099 Uiso 0.429(8) 1 calc R U P C 2
C67B C 0.2132(10) 0.2021(7) 0.3458(8) 0.065(3) Uiso 0.429(8) 1 d . . P C 2
H67B H 0.221530 0.222453 0.304782 0.078 Uiso 0.429(8) 1 calc R U P C 2
C68B C 0.3085(10) 0.1942(7) 0.3882(6) 0.054(3) Uiso 0.429(8) 1 d . . P C 2
H68B H 0.386052 0.212086 0.378960 0.065 Uiso 0.429(8) 1 calc R U P C 2
C69B C 0.2929(9) 0.1579(6) 0.4489(7) 0.042(3) Uiso 0.429(8) 1 d . . P C 2
H69B H 0.356470 0.146488 0.475209 0.050 Uiso 0.429(8) 1 calc R U P C 2
C70B C 0.1735(11) 0.1126(8) 0.5320(8) 0.063(3) Uiso 0.429(8) 1 d . . P C 2
H70D H 0.204424 0.163316 0.586943 0.095 Uiso 0.429(8) 1 calc R U P C 2
H70E H 0.220497 0.074328 0.528569 0.095 Uiso 0.429(8) 1 calc R U P C 2
H70F H 0.088356 0.081190 0.524243 0.095 Uiso 0.429(8) 1 calc R U P C 2
C71B C 0.7062(9) 0.6862(7) 0.0052(6) 0.021(2) Uiso 0.310(6) 1 d . . P A 2
H71B H 0.781945 0.674990 0.014565 0.032 Uiso 0.310(6) 1 calc R U P A 2
H71C H 0.675321 0.667709 -0.054569 0.032 Uiso 0.310(6) 1 calc R U P A 2
H71D H 0.646568 0.653715 0.024341 0.032 Uiso 0.310(6) 1 calc R U P A 2
C72B C 0.8388(10) 0.9641(7) 0.2858(7) 0.036(3) Uiso 0.310(6) 1 d . . P A 2
H72B H 0.789657 0.931514 0.310194 0.054 Uiso 0.310(6) 1 calc R U P A 2
H72C H 0.831845 1.021883 0.305365 0.054 Uiso 0.310(6) 1 calc R U P A 2
H72D H 0.923519 0.969949 0.302994 0.054 Uiso 0.310(6) 1 calc R U P A 2
C73B C 0.7295(9) 0.7837(8) 0.0542(7) 0.016(2) Uiso 0.310(6) 1 d . . P A 2
H73B H 0.650355 0.792292 0.052100 0.020 Uiso 0.310(6) 1 calc R U P A 2
H73C H 0.773247 0.813837 0.025125 0.020 Uiso 0.310(6) 1 calc R U P A 2
C74B C 0.7940(11) 0.9159(7) 0.1906(7) 0.026(3) Uiso 0.310(6) 1 d . . P A 2
H74B H 0.707218 0.907577 0.173848 0.031 Uiso 0.310(6) 1 calc R U P A 2
H74C H 0.838565 0.951946 0.166566 0.031 Uiso 0.310(6) 1 calc R U P A 2
C75B C 0.4229(5) 0.8439(4) -0.2634(4) 0.0118(14) Uiso 0.447(5) 1 d . . P B 2
H75B H 0.429421 0.905370 -0.244509 0.014 Uiso 0.447(5) 1 calc R U P B 2
H75C H 0.494708 0.836234 -0.283744 0.014 Uiso 0.447(5) 1 calc R U P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
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'
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
N1 Cu1 P2 84.05(7) . . ?
N1 Cu1 P1 83.78(7) . . ?
P2 Cu1 P1 165.97(3) . . ?
C1 P1 C8 113.35(14) . . ?
C1 P1 Cu1 102.37(10) . . ?
C8 P1 Cu1 143.03(9) . . ?
C2 P2 C36 111.23(14) . . ?
C2 P2 Cu1 102.26(10) . . ?
C36 P2 Cu1 146.01(10) . . ?
C3 N1 C7 120.8(2) . . ?
C3 N1 Cu1 119.09(18) . . ?
C7 N1 Cu1 118.41(18) . . ?
C3 C1 P1 118.0(2) . . ?
C3 C1 H1 121.0 . . ?
P1 C1 H1 121.0 . . ?
C7 C2 P2 118.6(2) . . ?
C7 C2 H2 120.7 . . ?
P2 C2 H2 120.7 . . ?
N1 C3 C4 120.9(3) . . ?
N1 C3 C1 115.6(2) . . ?
C4 C3 C1 123.5(3) . . ?
C5 C4 C3 118.5(3) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C4 C5 C6 120.5(3) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C6 C7 118.7(3) . . ?
C5 C6 H6 120.7 . . ?
C7 C6 H6 120.7 . . ?
N1 C7 C6 120.4(3) . . ?
N1 C7 C2 116.0(2) . . ?
C6 C7 C2 123.5(3) . . ?
C13 C8 C9 119.5(3) . . ?
C13 C8 P1 120.3(2) . . ?
C9 C8 P1 119.7(2) . . ?
C10 C9 C8 119.3(3) . . ?
C10 C9 C14 110.7(3) . . ?
C8 C9 C14 130.0(3) . . ?
C11 C10 C9 120.6(3) . . ?
C11 C10 C16 126.8(3) . . ?
C9 C10 C16 112.7(3) . . ?
C12 C11 C10 120.1(3) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 121.1(3) . . ?
C11 C12 C17 125.9(3) . . ?
C13 C12 C17 112.9(3) . . ?
C12 C13 C8 119.4(3) . . ?
C12 C13 C19 110.8(2) . . ?
C8 C13 C19 129.8(3) . . ?
C74B C14 C9 114.9(5) . . ?
C20A C14 C9 118.1(3) . . ?
C74B C14 C15 124.1(5) . . ?
C20A C14 C15 111.2(3) . . ?
C9 C14 C15 102.7(2) . . ?
C20A C14 C22A 109.0(3) . . ?
C9 C14 C22A 108.8(3) . . ?
C15 C14 C22A 106.4(3) . . ?
C74B C14 C73B 104.3(6) . . ?
C9 C14 C73B 104.2(4) . . ?
C15 C14 C73B 104.8(4) . . ?
C16 C15 C14 109.6(3) . . ?
C16 C15 H15 109.7 . . ?
C14 C15 H15 109.7 . . ?
C16 C15 H15A 109.7 . . ?
C14 C15 H15A 109.7 . . ?
H15 C15 H15A 108.2 . . ?
C10 C16 C24 110.3(2) . . ?
C10 C16 C15 101.7(2) . . ?
C24 C16 C15 111.4(3) . . ?
C10 C16 C26 111.8(3) . . ?
C24 C16 C26 111.1(3) . . ?
C15 C16 C26 110.2(3) . . ?
C12 C17 C30 107.6(2) . . ?
C12 C17 C28 112.4(2) . . ?
C30 C17 C28 109.3(2) . . ?
C12 C17 C18 102.2(2) . . ?
C30 C17 C18 112.9(2) . . ?
C28 C17 C18 112.2(2) . . ?
C17 C18 C19 108.8(2) . . ?
C17 C18 H18 109.9 . . ?
C19 C18 H18 109.9 . . ?
C17 C18 H18A 109.9 . . ?
C19 C18 H18A 109.9 . . ?
H18 C18 H18A 108.3 . . ?
C13 C19 C32 114.8(2) . . ?
C13 C19 C34 109.2(2) . . ?
C32 C19 C34 109.3(2) . . ?
C13 C19 C18 102.2(2) . . ?
C32 C19 C18 110.3(2) . . ?
C34 C19 C18 110.8(2) . . ?
C14 C20A C21A 112.9(4) . . ?
C14 C20A H20A 109.0 . . ?
C21A C20A H20A 109.0 . . ?
C14 C20A H20B 109.0 . . ?
C21A C20A H20B 109.0 . . ?
H20A C20A H20B 107.8 . . ?
C20A C21A H21A 109.5 . . ?
C20A C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
C20A C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C23A C22A C14 116.3(4) . . ?
C23A C22A H22A 108.2 . . ?
C14 C22A H22A 108.2 . . ?
C23A C22A H22B 108.2 . . ?
C14 C22A H22B 108.2 . . ?
H22A C22A H22B 107.4 . . ?
C22A C23A H23A 109.5 . . ?
C22A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C22A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C25 C24 C16 115.1(3) . . ?
C25 C24 H24 108.5 . . ?
C16 C24 H24 108.5 . . ?
C25 C24 H24A 108.5 . . ?
C16 C24 H24A 108.5 . . ?
H24 C24 H24A 107.5 . . ?
C24 C25 H25 109.5 . . ?
C24 C25 H25A 109.5 . . ?
H25 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C27 C26 C16 116.8(3) . . ?
C27 C26 H26 108.1 . . ?
C16 C26 H26 108.1 . . ?
C27 C26 H26A 108.1 . . ?
C16 C26 H26A 108.1 . . ?
H26 C26 H26A 107.3 . . ?
C26 C27 H27 109.5 . . ?
C26 C27 H27A 109.5 . . ?
H27 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C29 C28 C17 115.6(3) . . ?
C29 C28 H28 108.4 . . ?
C17 C28 H28 108.4 . . ?
C29 C28 H28A 108.4 . . ?
C17 C28 H28A 108.4 . . ?
H28 C28 H28A 107.4 . . ?
C28 C29 H29 109.5 . . ?
C28 C29 H29A 109.5 . . ?
H29 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C31 C30 C17 116.3(3) . . ?
C31 C30 H30 108.2 . . ?
C17 C30 H30 108.2 . . ?
C31 C30 H30A 108.2 . . ?
C17 C30 H30A 108.2 . . ?
H30 C30 H30A 107.4 . . ?
C30 C31 H31 109.5 . . ?
C30 C31 H31A 109.5 . . ?
H31 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C33 C32 C19 116.1(3) . . ?
C33 C32 H32 108.3 . . ?
C19 C32 H32 108.3 . . ?
C33 C32 H32A 108.3 . . ?
C19 C32 H32A 108.3 . . ?
H32 C32 H32A 107.4 . . ?
C32 C33 H33 109.5 . . ?
C32 C33 H33A 109.5 . . ?
H33 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C35 C34 C19 116.4(3) . . ?
C35 C34 H34 108.2 . . ?
C19 C34 H34 108.2 . . ?
C35 C34 H34A 108.2 . . ?
C19 C34 H34A 108.2 . . ?
H34 C34 H34A 107.3 . . ?
C34 C35 H35 109.5 . . ?
C34 C35 H35A 109.5 . . ?
H35 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C37 C36 C41 118.7(3) . . ?
C37 C36 P2 119.9(2) . . ?
C41 C36 P2 121.3(2) . . ?
C38 C37 C36 119.9(3) . . ?
C38 C37 C42 110.6(3) . . ?
C36 C37 C42 129.4(3) . . ?
C39 C38 C37 120.9(3) . . ?
C39 C38 C43B 126.4(3) . . ?
C37 C38 C43B 110.0(3) . . ?
C39 C38 C44A 121.6(3) . . ?
C37 C38 C44A 113.8(3) . . ?
C40 C39 C38 119.7(3) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C39 C40 C41 120.9(3) . . ?
C39 C40 C45 125.8(3) . . ?
C41 C40 C45 113.3(2) . . ?
C40 C41 C36 119.8(2) . . ?
C40 C41 C47 111.0(2) . . ?
C36 C41 C47 129.2(2) . . ?
C37 C42 C50 114.8(3) . . ?
C37 C42 C48 108.2(3) . . ?
C50 C42 C48 109.9(3) . . ?
C37 C42 C75B 103.2(3) . . ?
C50 C42 C75B 99.5(4) . . ?
C48 C42 C75B 121.3(4) . . ?
C37 C42 C43A 101.6(3) . . ?
C50 C42 C43A 119.8(3) . . ?
C48 C42 C43A 101.2(4) . . ?
C44A C43A C42 111.3(4) . . ?
C44A C43A H43A 109.4 . . ?
C42 C43A H43A 109.4 . . ?
C44A C43A H43B 109.4 . . ?
C42 C43A H43B 109.4 . . ?
H43A C43A H43B 108.0 . . ?
C54A C44A C43A 112.9(5) . . ?
C54A C44A C38 110.7(4) . . ?
C43A C44A C38 98.3(4) . . ?
C54A C44A C52A 108.5(5) . . ?
C43A C44A C52A 111.6(5) . . ?
C38 C44A C52A 114.7(5) . . ?
C52B C43B C75B 112.9(5) . . ?
C52B C43B C38 104.6(4) . . ?
C75B C43B C38 104.0(4) . . ?
C52B C43B C54B 110.4(5) . . ?
C75B C43B C54B 110.3(5) . . ?
C38 C43B C54B 114.5(5) . . ?
C40 C45 C56 112.4(2) . . ?
C40 C45 C58 107.6(2) . . ?
C56 C45 C58 109.0(2) . . ?
C40 C45 C46 102.2(2) . . ?
C56 C45 C46 112.2(2) . . ?
C58 C45 C46 113.4(2) . . ?
C45 C46 C47 109.8(2) . . ?
C45 C46 H46 109.7 . . ?
C47 C46 H46 109.7 . . ?
C45 C46 H46A 109.7 . . ?
C47 C46 H46A 109.7 . . ?
H46 C46 H46A 108.2 . . ?
C41 C47 C62 114.3(2) . . ?
C41 C47 C60 109.1(2) . . ?
C62 C47 C60 109.7(2) . . ?
C41 C47 C46 102.8(2) . . ?
C62 C47 C46 110.3(2) . . ?
C60 C47 C46 110.5(2) . . ?
C49 C48 C42 115.6(3) . . ?
C49 C48 H48 108.4 . . ?
C42 C48 H48 108.4 . . ?
C49 C48 H48A 108.4 . . ?
C42 C48 H48A 108.4 . . ?
H48 C48 H48A 107.4 . . ?
C48 C49 H49 109.5 . . ?
C48 C49 H49A 109.5 . . ?
H49 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C51 C50 C42 115.7(3) . . ?
C51 C50 H50 108.4 . . ?
C42 C50 H50 108.4 . . ?
C51 C50 H50A 108.4 . . ?
C42 C50 H50A 108.4 . . ?
H50 C50 H50A 107.4 . . ?
C50 C51 H51 109.5 . . ?
C50 C51 H51A 109.5 . . ?
H51 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C53A C52A C44A 116.6(7) . . ?
C53A C52A H52A 108.2 . . ?
C44A C52A H52A 108.2 . . ?
C53A C52A H52B 108.2 . . ?
C44A C52A H52B 108.2 . . ?
H52A C52A H52B 107.3 . . ?
C52A C53A H53A 109.5 . . ?
C52A C53A H53B 109.5 . . ?
H53A C53A H53B 109.5 . . ?
C52A C53A H53C 109.5 . . ?
H53A C53A H53C 109.5 . . ?
H53B C53A H53C 109.5 . . ?
C55A C54A C44A 113.4(5) . . ?
C55A C54A H54A 108.9 . . ?
C44A C54A H54A 108.9 . . ?
C55A C54A H54B 108.9 . . ?
C44A C54A H54B 108.9 . . ?
H54A C54A H54B 107.7 . . ?
C54A C55A H55A 109.5 . . ?
C54A C55A H55B 109.5 . . ?
H55A C55A H55B 109.5 . . ?
C54A C55A H55C 109.5 . . ?
H55A C55A H55C 109.5 . . ?
H55B C55A H55C 109.5 . . ?
C53B C52B C43B 114.3(7) . . ?
C53B C52B H52C 108.7 . . ?
C43B C52B H52C 108.7 . . ?
C53B C52B H52D 108.7 . . ?
C43B C52B H52D 108.7 . . ?
H52C C52B H52D 107.6 . . ?
C52B C53B H53D 109.5 . . ?
C52B C53B H53E 109.5 . . ?
H53D C53B H53E 109.5 . . ?
C52B C53B H53F 109.5 . . ?
H53D C53B H53F 109.5 . . ?
H53E C53B H53F 109.5 . . ?
C55B C54B C43B 115.1(6) . . ?
C55B C54B H54C 108.5 . . ?
C43B C54B H54C 108.5 . . ?
C55B C54B H54D 108.5 . . ?
C43B C54B H54D 108.5 . . ?
H54C C54B H54D 107.5 . . ?
C54B C55B H55D 109.5 . . ?
C54B C55B H55E 109.5 . . ?
H55D C55B H55E 109.5 . . ?
C54B C55B H55F 109.5 . . ?
H55D C55B H55F 109.5 . . ?
H55E C55B H55F 109.5 . . ?
C57 C56 C45 115.8(3) . . ?
C57 C56 H56 108.3 . . ?
C45 C56 H56 108.3 . . ?
C57 C56 H56A 108.3 . . ?
C45 C56 H56A 108.3 . . ?
H56 C56 H56A 107.4 . . ?
C56 C57 H57 109.5 . . ?
C56 C57 H57A 109.5 . . ?
H57 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C59 C58 C45 116.4(2) . . ?
C59 C58 H58 108.2 . . ?
C45 C58 H58 108.2 . . ?
C59 C58 H58A 108.2 . . ?
C45 C58 H58A 108.2 . . ?
H58 C58 H58A 107.4 . . ?
C58 C59 H59 109.5 . . ?
C58 C59 H59A 109.5 . . ?
H59 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C61 C60 C47 115.8(2) . . ?
C61 C60 H60 108.3 . . ?
C47 C60 H60 108.3 . . ?
C61 C60 H60A 108.3 . . ?
C47 C60 H60A 108.3 . . ?
H60 C60 H60A 107.4 . . ?
C60 C61 H61 109.5 . . ?
C60 C61 H61A 109.5 . . ?
H61 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C63 C62 C47 115.8(2) . . ?
C63 C62 H62 108.3 . . ?
C47 C62 H62 108.3 . . ?
C63 C62 H62A 108.3 . . ?
C47 C62 H62A 108.3 . . ?
H62 C62 H62A 107.4 . . ?
C62 C63 H63 109.5 . . ?
C62 C63 H63A 109.5 . . ?
H63 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
F1 P3 F1 180.0 . 2_575 ?
F1 P3 F2 89.52(12) . 2_575 ?
F1 P3 F2 90.48(12) 2_575 2_575 ?
F1 P3 F2 90.48(12) . . ?
F1 P3 F2 89.52(12) 2_575 . ?
F2 P3 F2 180.0 2_575 . ?
F1 P3 F3 89.36(11) . 2_575 ?
F1 P3 F3 90.64(11) 2_575 2_575 ?
F2 P3 F3 89.84(11) 2_575 2_575 ?
F2 P3 F3 90.16(11) . 2_575 ?
F1 P3 F3 90.64(11) . . ?
F1 P3 F3 89.36(11) 2_575 . ?
F2 P3 F3 90.16(11) 2_575 . ?
F2 P3 F3 89.84(11) . . ?
F3 P3 F3 180.0 2_575 . ?
P4 P4 F4 105.0(5) 2_656 2_656 ?
P4 P4 F8 93.6(5) 2_656 2_656 ?
F4 P4 F8 121.3(4) 2_656 2_656 ?
P4 P4 F6 92.7(4) 2_656 2_656 ?
F4 P4 F6 122.8(4) 2_656 2_656 ?
F8 P4 F6 111.1(4) 2_656 2_656 ?
P4 P4 F9 121.0(4) 2_656 . ?
F4 P4 F9 109.4(4) 2_656 . ?
F8 P4 F9 106.8(4) 2_656 . ?
F6 P4 F9 28.4(2) 2_656 . ?
P4 P4 F8 57.9(4) 2_656 . ?
F4 P4 F8 71.6(4) 2_656 . ?
F8 P4 F8 151.44(17) 2_656 . ?
F6 P4 F8 73.6(3) 2_656 . ?
F9 P4 F8 90.1(4) . . ?
P4 P4 F6 58.8(4) 2_656 . ?
F4 P4 F6 70.1(4) 2_656 . ?
F8 P4 F6 73.9(4) 2_656 . ?
F6 P4 F6 151.46(15) 2_656 . ?
F9 P4 F6 179.3(5) . . ?
F8 P4 F6 89.3(3) . . ?
P4 P4 F7 132.4(5) 2_656 . ?
F4 P4 F7 27.4(4) 2_656 . ?
F8 P4 F7 111.3(4) 2_656 . ?
F6 P4 F7 113.3(4) 2_656 . ?
F9 P4 F7 90.6(3) . . ?
F8 P4 F7 90.8(4) . . ?
F6 P4 F7 89.1(3) . . ?
P4 P4 F4 47.7(4) 2_656 . ?
F4 P4 F4 152.65(18) 2_656 . ?
F8 P4 F4 68.4(3) 2_656 . ?
F6 P4 F4 66.9(4) 2_656 . ?
F9 P4 F4 89.5(3) . . ?
F8 P4 F4 89.4(3) . . ?
F6 P4 F4 90.8(3) . . ?
F7 P4 F4 179.8(5) . . ?
P4 P4 F5 120.6(5) 2_656 . ?
F4 P4 F5 108.7(3) 2_656 . ?
F8 P4 F5 27.0(3) 2_656 . ?
F6 P4 F5 107.5(4) 2_656 . ?
F9 P4 F5 91.5(4) . . ?
F8 P4 F5 178.3(4) . . ?
F6 P4 F5 89.2(3) . . ?
F7 P4 F5 90.0(4) . . ?
F4 P4 F5 89.8(3) . . ?
P4 P4 F9 40.7(3) 2_656 2_656 ?
F4 P4 F9 80.9(4) 2_656 2_656 ?
F8 P4 F9 78.6(4) 2_656 2_656 ?
F6 P4 F9 133.3(2) 2_656 2_656 ?
F9 P4 F9 161.73(14) . 2_656 ?
F8 P4 F9 78.7(3) . 2_656 ?
F6 P4 F9 18.1(2) . 2_656 ?
F7 P4 F9 103.8(3) . 2_656 ?
F4 P4 F9 76.1(3) . 2_656 ?
F5 P4 F9 99.6(3) . 2_656 ?
P4 P4 F5 41.2(4) 2_656 2_656 ?
F4 P4 F5 81.3(3) 2_656 2_656 ?
F8 P4 F5 134.8(3) 2_656 2_656 ?
F6 P4 F5 77.7(3) 2_656 2_656 ?
F9 P4 F5 99.7(3) . 2_656 ?
F8 P4 F5 16.7(3) . 2_656 ?
F6 P4 F5 79.8(3) . 2_656 ?
F7 P4 F5 104.2(3) . 2_656 ?
F4 P4 F5 76.0(3) . 2_656 ?
F5 P4 F5 161.78(14) . 2_656 ?
F9 P4 F5 66.2(3) 2_656 2_656 ?
F7 F4 P4 104.5(11) 2_656 2_656 ?
F7 F4 P4 131.9(11) 2_656 . ?
P4 F4 P4 27.35(18) 2_656 . ?
F7 F4 F6 133.3(10) 2_656 2_656 ?
P4 F4 F6 65.4(4) 2_656 2_656 ?
P4 F4 F6 49.6(3) . 2_656 ?
F7 F4 F8 134.3(10) 2_656 2_656 ?
P4 F4 F8 64.4(3) 2_656 2_656 ?
P4 F4 F8 48.6(3) . 2_656 ?
F6 F4 F8 84.7(4) 2_656 2_656 ?
F8 F5 P4 56.7(8) 2_656 . ?
F8 F5 P4 38.5(8) 2_656 2_656 ?
P4 F5 P4 18.22(14) . 2_656 ?
F9 F6 P4 92.3(7) 2_656 2_656 ?
F9 F6 P4 120.8(8) 2_656 . ?
P4 F6 P4 28.54(15) 2_656 . ?
F9 F6 F4 134.9(10) 2_656 2_656 ?
P4 F6 F4 63.5(3) 2_656 2_656 ?
P4 F6 F4 44.4(3) . 2_656 ?
F9 F6 F8 119.4(10) 2_656 2_656 ?
P4 F6 F8 59.1(3) 2_656 2_656 ?
P4 F6 F8 46.8(3) . 2_656 ?
F4 F6 F8 81.8(4) 2_656 2_656 ?
F4 F7 P4 48.1(8) 2_656 . ?
F4 F7 P4 33.1(8) 2_656 2_656 ?
P4 F7 P4 14.94(16) . 2_656 ?
F5 F8 P4 96.3(10) 2_656 2_656 ?
F5 F8 P4 124.9(11) 2_656 . ?
P4 F8 P4 28.56(17) 2_656 . ?
F5 F8 F4 136.9(10) 2_656 2_656 ?
P4 F8 F4 62.9(3) 2_656 2_656 ?
P4 F8 F4 44.0(3) . 2_656 ?
F5 F8 F6 120.9(10) 2_656 2_656 ?
P4 F8 F6 59.4(3) 2_656 2_656 ?
P4 F8 F6 47.4(3) . 2_656 ?
F4 F8 F6 82.4(4) 2_656 2_656 ?
F6 F9 P4 59.3(6) 2_656 . ?
F6 F9 P4 41.1(6) 2_656 2_656 ?
P4 F9 P4 18.27(14) . 2_656 ?
C69A C64A C65A 120.3(9) . . ?
C69A C64A C70A 118.7(8) . . ?
C65A C64A C70A 120.9(7) . . ?
C64A C65A C66A 120.8(7) . . ?
C64A C65A H65A 119.6 . . ?
C66A C65A H65A 119.6 . . ?
C67A C66A C65A 116.7(8) . . ?
C67A C66A H66A 121.7 . . ?
C65A C66A H66A 121.7 . . ?
C68A C67A C66A 123.3(8) . . ?
C68A C67A H67A 118.4 . . ?
C66A C67A H67A 118.4 . . ?
C67A C68A C69A 118.4(7) . . ?
C67A C68A H68A 120.8 . . ?
C69A C68A H68A 120.8 . . ?
C64A C69A C68A 120.3(7) . . ?
C64A C69A H69A 119.9 . . ?
C68A C69A H69A 119.9 . . ?
C64A C70A H70A 109.5 . . ?
C64A C70A H70B 109.5 . . ?
H70A C70A H70B 109.5 . . ?
C64A C70A H70C 109.5 . . ?
H70A C70A H70C 109.5 . . ?
H70B C70A H70C 109.5 . . ?
C69B C64B C65B 122.3(11) . . ?
C69B C64B C70B 115.5(10) . . ?
C65B C64B C70B 122.2(10) . . ?
C66B C65B C64B 119.0(11) . . ?
C66B C65B H65B 120.5 . . ?
C64B C65B H65B 120.5 . . ?
C67B C66B C65B 123.6(13) . . ?
C67B C66B H66B 118.2 . . ?
C65B C66B H66B 118.2 . . ?
C66B C67B C68B 117.8(13) . . ?
C66B C67B H67B 121.1 . . ?
C68B C67B H67B 121.1 . . ?
C67B C68B C69B 120.6(10) . . ?
C67B C68B H68B 119.7 . . ?
C69B C68B H68B 119.7 . . ?
C64B C69B C68B 116.1(10) . . ?
C64B C69B H69B 122.0 . . ?
C68B C69B H69B 122.0 . . ?
C64B C70B H70D 109.5 . . ?
C64B C70B H70E 109.5 . . ?
H70D C70B H70E 109.5 . . ?
C64B C70B H70F 109.5 . . ?
H70D C70B H70F 109.5 . . ?
H70E C70B H70F 109.5 . . ?
C73B C71B H71B 109.5 . . ?
C73B C71B H71C 109.5 . . ?
H71B C71B H71C 109.5 . . ?
C73B C71B H71D 109.5 . . ?
H71B C71B H71D 109.5 . . ?
H71C C71B H71D 109.5 . . ?
C74B C72B H72B 109.5 . . ?
C74B C72B H72C 109.5 . . ?
H72B C72B H72C 109.5 . . ?
C74B C72B H72D 109.5 . . ?
H72B C72B H72D 109.5 . . ?
H72C C72B H72D 109.5 . . ?
C71B C73B C14 116.6(7) . . ?
C71B C73B H73B 108.1 . . ?
C14 C73B H73B 108.1 . . ?
C71B C73B H73C 108.1 . . ?
C14 C73B H73C 108.1 . . ?
H73B C73B H73C 107.3 . . ?
C14 C74B C72B 112.8(9) . . ?
C14 C74B H74B 109.0 . . ?
C72B C74B H74B 109.0 . . ?
C14 C74B H74C 109.0 . . ?
C72B C74B H74C 109.0 . . ?
H74B C74B H74C 107.8 . . ?
C43B C75B C42 107.9(4) . . ?
C43B C75B H75B 110.1 . . ?
C42 C75B H75B 110.1 . . ?
C43B C75B H75C 110.1 . . ?
C42 C75B H75C 110.1 . . ?
H75B C75B H75C 108.4 . . ?
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
Cu1 N1 2.081(2) . ?
Cu1 P2 2.2081(9) . ?
Cu1 P1 2.2100(9) . ?
P1 C1 1.672(3) . ?
P1 C8 1.814(3) . ?
P2 C2 1.672(3) . ?
P2 C36 1.808(3) . ?
N1 C3 1.346(4) . ?
N1 C7 1.354(4) . ?
C1 C3 1.473(4) . ?
C1 H1 0.9500 . ?
C2 C7 1.460(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(4) . ?
C4 C5 1.383(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.385(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.391(4) . ?
C6 H6 0.9500 . ?
C8 C13 1.412(4) . ?
C8 C9 1.414(4) . ?
C9 C10 1.403(4) . ?
C9 C14 1.528(4) . ?
C10 C11 1.389(4) . ?
C10 C16 1.519(4) . ?
C11 C12 1.379(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.396(4) . ?
C12 C17 1.510(4) . ?
C13 C19 1.530(4) . ?
C14 C74B 1.441(10) . ?
C14 C20A 1.490(6) . ?
C14 C15 1.548(4) . ?
C14 C22A 1.625(6) . ?
C14 C73B 1.706(11) . ?
C15 C16 1.548(4) . ?
C15 H15 0.9900 . ?
C15 H15A 0.9900 . ?
C16 C24 1.534(4) . ?
C16 C26 1.549(4) . ?
C17 C30 1.544(4) . ?
C17 C28 1.548(4) . ?
C17 C18 1.549(4) . ?
C18 C19 1.560(4) . ?
C18 H18 0.9900 . ?
C18 H18A 0.9900 . ?
C19 C32 1.549(4) . ?
C19 C34 1.551(4) . ?
C20A C21A 1.520(7) . ?
C20A H20A 0.9900 . ?
C20A H20B 0.9900 . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21C 0.9800 . ?
C22A C23A 1.524(7) . ?
C22A H22A 0.9900 . ?
C22A H22B 0.9900 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24 C25 1.526(4) . ?
C24 H24 0.9900 . ?
C24 H24A 0.9900 . ?
C25 H25 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C26 C27 1.527(5) . ?
C26 H26 0.9900 . ?
C26 H26A 0.9900 . ?
C27 H27 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C28 C29 1.531(4) . ?
C28 H28 0.9900 . ?
C28 H28A 0.9900 . ?
C29 H29 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C30 C31 1.518(4) . ?
C30 H30 0.9900 . ?
C30 H30A 0.9900 . ?
C31 H31 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C32 C33 1.531(5) . ?
C32 H32 0.9900 . ?
C32 H32A 0.9900 . ?
C33 H33 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C34 C35 1.522(4) . ?
C34 H34 0.9900 . ?
C34 H34A 0.9900 . ?
C35 H35 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C36 C37 1.406(4) . ?
C36 C41 1.419(4) . ?
C37 C38 1.393(4) . ?
C37 C42 1.541(4) . ?
C38 C39 1.389(4) . ?
C38 C43B 1.558(6) . ?
C38 C44A 1.576(6) . ?
C39 C40 1.380(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.394(4) . ?
C40 C45 1.517(4) . ?
C41 C47 1.536(4) . ?
C42 C50 1.544(5) . ?
C42 C48 1.549(5) . ?
C42 C75B 1.577(6) . ?
C42 C43A 1.599(6) . ?
C43A C44A 1.554(8) . ?
C43A H43A 0.9900 . ?
C43A H43B 0.9900 . ?
C44A C54A 1.539(8) . ?
C44A C52A 1.614(11) . ?
C43B C52B 1.542(9) . ?
C43B C75B 1.551(8) . ?
C43B C54B 1.600(10) . ?
C45 C56 1.538(4) . ?
C45 C58 1.545(4) . ?
C45 C46 1.556(4) . ?
C46 C47 1.558(4) . ?
C46 H46 0.9900 . ?
C46 H46A 0.9900 . ?
C47 C62 1.544(4) . ?
C47 C60 1.546(4) . ?
C48 C49 1.533(5) . ?
C48 H48 0.9900 . ?
C48 H48A 0.9900 . ?
C49 H49 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C50 C51 1.525(5) . ?
C50 H50 0.9900 . ?
C50 H50A 0.9900 . ?
C51 H51 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C52A C53A 1.481(11) . ?
C52A H52A 0.9900 . ?
C52A H52B 0.9900 . ?
C53A H53A 0.9800 . ?
C53A H53B 0.9800 . ?
C53A H53C 0.9800 . ?
C54A C55A 1.501(10) . ?
C54A H54A 0.9900 . ?
C54A H54B 0.9900 . ?
C55A H55A 0.9800 . ?
C55A H55B 0.9800 . ?
C55A H55C 0.9800 . ?
C52B C53B 1.439(14) . ?
C52B H52C 0.9900 . ?
C52B H52D 0.9900 . ?
C53B H53D 0.9800 . ?
C53B H53E 0.9800 . ?
C53B H53F 0.9800 . ?
C54B C55B 1.491(10) . ?
C54B H54C 0.9900 . ?
C54B H54D 0.9900 . ?
C55B H55D 0.9800 . ?
C55B H55E 0.9800 . ?
C55B H55F 0.9800 . ?
C56 C57 1.528(5) . ?
C56 H56 0.9900 . ?
C56 H56A 0.9900 . ?
C57 H57 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C58 C59 1.521(4) . ?
C58 H58 0.9900 . ?
C58 H58A 0.9900 . ?
C59 H59 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C60 C61 1.523(4) . ?
C60 H60 0.9900 . ?
C60 H60A 0.9900 . ?
C61 H61 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C62 C63 1.513(4) . ?
C62 H62 0.9900 . ?
C62 H62A 0.9900 . ?
C63 H63 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
P3 F1 1.595(2) . ?
P3 F1 1.595(2) 2_575 ?
P3 F2 1.600(2) 2_575 ?
P3 F2 1.600(2) . ?
P3 F3 1.604(2) 2_575 ?
P3 F3 1.604(2) . ?
P4 P4 0.761(3) 2_656 ?
P4 F4 1.225(7) 2_656 ?
P4 F8 1.349(7) 2_656 ?
P4 F6 1.363(6) 2_656 ?
P4 F9 1.584(6) . ?
P4 F8 1.590(6) . ?
P4 F6 1.592(6) . ?
P4 F7 1.594(6) . ?
P4 F4 1.601(6) . ?
P4 F5 1.604(6) . ?
P4 F9 2.081(6) 2_656 ?
P4 F5 2.096(6) 2_656 ?
F4 F7 0.758(6) 2_656 ?
F4 F6 1.646(9) 2_656 ?
F4 F8 1.672(7) 2_656 ?
F5 F8 0.733(6) 2_656 ?
F6 F9 0.754(5) 2_656 ?
F6 F8 1.778(8) 2_656 ?
C64A C69A 1.353(10) . ?
C64A C65A 1.380(10) . ?
C64A C70A 1.525(12) . ?
C65A C66A 1.433(11) . ?
C65A H65A 0.9500 . ?
C66A C67A 1.374(11) . ?
C66A H66A 0.9500 . ?
C67A C68A 1.361(10) . ?
C67A H67A 0.9500 . ?
C68A C69A 1.425(10) . ?
C68A H68A 0.9500 . ?
C69A H69A 0.9500 . ?
C70A H70A 0.9800 . ?
C70A H70B 0.9800 . ?
C70A H70C 0.9800 . ?
C64B C69B 1.329(15) . ?
C64B C65B 1.366(14) . ?
C64B C70B 1.515(15) . ?
C65B C66B 1.354(18) . ?
C65B H65B 0.9500 . ?
C66B C67B 1.334(18) . ?
C66B H66B 0.9500 . ?
C67B C68B 1.355(15) . ?
C67B H67B 0.9500 . ?
C68B C69B 1.485(15) . ?
C68B H68B 0.9500 . ?
C69B H69B 0.9500 . ?
C70B H70D 0.9800 . ?
C70B H70E 0.9800 . ?
C70B H70F 0.9800 . ?
C71B C73B 1.536(14) . ?
C71B H71B 0.9800 . ?
C71B H71C 0.9800 . ?
C71B H71D 0.9800 . ?
C72B C74B 1.527(16) . ?
C72B H72B 0.9800 . ?
C72B H72C 0.9800 . ?
C72B H72D 0.9800 . ?
C73B H73B 0.9900 . ?
C73B H73C 0.9900 . ?
C74B H74B 0.9900 . ?
C74B H74C 0.9900 . ?
C75B H75B 0.9900 . ?
C75B H75C 0.9900 . ?
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
C8 P1 C1 C3 -179.9(2) . . . . ?
Cu1 P1 C1 C3 9.8(2) . . . . ?
C36 P2 C2 C7 -178.8(2) . . . . ?
Cu1 P2 C2 C7 -4.7(2) . . . . ?
C7 N1 C3 C4 -3.5(4) . . . . ?
Cu1 N1 C3 C4 -168.6(2) . . . . ?
C7 N1 C3 C1 174.5(2) . . . . ?
Cu1 N1 C3 C1 9.4(3) . . . . ?
P1 C1 C3 N1 -13.1(3) . . . . ?
P1 C1 C3 C4 164.8(2) . . . . ?
N1 C3 C4 C5 0.9(4) . . . . ?
C1 C3 C4 C5 -176.9(3) . . . . ?
C3 C4 C5 C6 1.2(5) . . . . ?
C4 C5 C6 C7 -0.7(5) . . . . ?
C3 N1 C7 C6 4.0(4) . . . . ?
Cu1 N1 C7 C6 169.2(2) . . . . ?
C3 N1 C7 C2 -174.2(2) . . . . ?
Cu1 N1 C7 C2 -9.0(3) . . . . ?
C5 C6 C7 N1 -1.8(4) . . . . ?
C5 C6 C7 C2 176.2(3) . . . . ?
P2 C2 C7 N1 9.1(3) . . . . ?
P2 C2 C7 C6 -169.0(2) . . . . ?
C1 P1 C8 C13 91.1(3) . . . . ?
Cu1 P1 C8 C13 -104.8(2) . . . . ?
C1 P1 C8 C9 -96.7(2) . . . . ?
Cu1 P1 C8 C9 67.4(3) . . . . ?
C13 C8 C9 C10 -2.6(4) . . . . ?
P1 C8 C9 C10 -174.9(2) . . . . ?
C13 C8 C9 C14 176.2(3) . . . . ?
P1 C8 C9 C14 3.9(4) . . . . ?
C8 C9 C10 C11 2.8(4) . . . . ?
C14 C9 C10 C11 -176.2(3) . . . . ?
C8 C9 C10 C16 -177.9(2) . . . . ?
C14 C9 C10 C16 3.1(3) . . . . ?
C9 C10 C11 C12 -1.4(4) . . . . ?
C16 C10 C11 C12 179.5(3) . . . . ?
C10 C11 C12 C13 -0.3(4) . . . . ?
C10 C11 C12 C17 -177.9(3) . . . . ?
C11 C12 C13 C8 0.4(4) . . . . ?
C17 C12 C13 C8 178.4(2) . . . . ?
C11 C12 C13 C19 -176.8(2) . . . . ?
C17 C12 C13 C19 1.1(3) . . . . ?
C9 C8 C13 C12 1.0(4) . . . . ?
P1 C8 C13 C12 173.3(2) . . . . ?
C9 C8 C13 C19 177.7(3) . . . . ?
P1 C8 C13 C19 -10.1(4) . . . . ?
C10 C9 C14 C74B -130.4(6) . . . . ?
C8 C9 C14 C74B 50.7(7) . . . . ?
C10 C9 C14 C20A 129.8(3) . . . . ?
C8 C9 C14 C20A -49.0(5) . . . . ?
C10 C9 C14 C15 7.1(3) . . . . ?
C8 C9 C14 C15 -171.7(3) . . . . ?
C10 C9 C14 C22A -105.4(3) . . . . ?
C8 C9 C14 C22A 75.8(4) . . . . ?
C10 C9 C14 C73B 116.2(4) . . . . ?
C8 C9 C14 C73B -62.7(5) . . . . ?
C74B C14 C15 C16 117.8(6) . . . . ?
C20A C14 C15 C16 -141.7(3) . . . . ?
C9 C14 C15 C16 -14.5(3) . . . . ?
C22A C14 C15 C16 99.7(3) . . . . ?
C73B C14 C15 C16 -123.1(5) . . . . ?
C11 C10 C16 C24 49.2(4) . . . . ?
C9 C10 C16 C24 -130.0(3) . . . . ?
C11 C10 C16 C15 167.5(3) . . . . ?
C9 C10 C16 C15 -11.7(3) . . . . ?
C11 C10 C16 C26 -75.0(4) . . . . ?
C9 C10 C16 C26 105.8(3) . . . . ?
C14 C15 C16 C10 16.0(3) . . . . ?
C14 C15 C16 C24 133.5(3) . . . . ?
C14 C15 C16 C26 -102.7(3) . . . . ?
C11 C12 C17 C30 68.4(4) . . . . ?
C13 C12 C17 C30 -109.4(3) . . . . ?
C11 C12 C17 C28 -51.9(4) . . . . ?
C13 C12 C17 C28 130.3(3) . . . . ?
C11 C12 C17 C18 -172.4(3) . . . . ?
C13 C12 C17 C18 9.7(3) . . . . ?
C12 C17 C18 C19 -16.7(3) . . . . ?
C30 C17 C18 C19 98.6(3) . . . . ?
C28 C17 C18 C19 -137.3(2) . . . . ?
C12 C13 C19 C32 -130.8(3) . . . . ?
C8 C13 C19 C32 52.3(4) . . . . ?
C12 C13 C19 C34 106.0(3) . . . . ?
C8 C13 C19 C34 -70.8(4) . . . . ?
C12 C13 C19 C18 -11.4(3) . . . . ?
C8 C13 C19 C18 171.7(3) . . . . ?
C17 C18 C19 C13 17.3(3) . . . . ?
C17 C18 C19 C32 139.9(3) . . . . ?
C17 C18 C19 C34 -98.9(3) . . . . ?
C9 C14 C20A C21A -43.8(5) . . . . ?
C15 C14 C20A C21A 74.5(4) . . . . ?
C22A C14 C20A C21A -168.6(4) . . . . ?
C20A C14 C22A C23A -59.0(5) . . . . ?
C9 C14 C22A C23A 171.0(4) . . . . ?
C15 C14 C22A C23A 61.0(5) . . . . ?
C10 C16 C24 C25 177.3(3) . . . . ?
C15 C16 C24 C25 65.1(4) . . . . ?
C26 C16 C24 C25 -58.1(4) . . . . ?
C10 C16 C26 C27 65.4(4) . . . . ?
C24 C16 C26 C27 -58.3(4) . . . . ?
C15 C16 C26 C27 177.8(3) . . . . ?
C12 C17 C28 C29 -49.0(4) . . . . ?
C30 C17 C28 C29 -168.4(3) . . . . ?
C18 C17 C28 C29 65.6(4) . . . . ?
C12 C17 C30 C31 -178.8(3) . . . . ?
C28 C17 C30 C31 -56.5(4) . . . . ?
C18 C17 C30 C31 69.1(3) . . . . ?
C13 C19 C32 C33 45.3(4) . . . . ?
C34 C19 C32 C33 168.4(3) . . . . ?
C18 C19 C32 C33 -69.5(4) . . . . ?
C13 C19 C34 C35 -177.7(3) . . . . ?
C32 C19 C34 C35 56.0(3) . . . . ?
C18 C19 C34 C35 -65.8(3) . . . . ?
C2 P2 C36 C37 96.9(3) . . . . ?
Cu1 P2 C36 C37 -72.7(3) . . . . ?
C2 P2 C36 C41 -87.6(3) . . . . ?
Cu1 P2 C36 C41 102.8(2) . . . . ?
C41 C36 C37 C38 3.5(5) . . . . ?
P2 C36 C37 C38 179.1(3) . . . . ?
C41 C36 C37 C42 -172.8(3) . . . . ?
P2 C36 C37 C42 2.8(5) . . . . ?
C36 C37 C38 C39 -1.6(6) . . . . ?
C42 C37 C38 C39 175.4(4) . . . . ?
C36 C37 C38 C43B 161.2(4) . . . . ?
C42 C37 C38 C43B -21.9(5) . . . . ?
C36 C37 C38 C44A -160.1(4) . . . . ?
C42 C37 C38 C44A 16.9(5) . . . . ?
C37 C38 C39 C40 -0.5(6) . . . . ?
C43B C38 C39 C40 -160.2(4) . . . . ?
C44A C38 C39 C40 156.3(4) . . . . ?
C38 C39 C40 C41 0.5(5) . . . . ?
C38 C39 C40 C45 179.1(3) . . . . ?
C39 C40 C41 C36 1.6(4) . . . . ?
C45 C40 C41 C36 -177.2(2) . . . . ?
C39 C40 C41 C47 -176.7(3) . . . . ?
C45 C40 C41 C47 4.5(3) . . . . ?
C37 C36 C41 C40 -3.6(4) . . . . ?
P2 C36 C41 C40 -179.1(2) . . . . ?
C37 C36 C41 C47 174.4(3) . . . . ?
P2 C36 C41 C47 -1.1(4) . . . . ?
C38 C37 C42 C50 127.0(3) . . . . ?
C36 C37 C42 C50 -56.4(5) . . . . ?
C38 C37 C42 C48 -109.9(3) . . . . ?
C36 C37 C42 C48 66.7(5) . . . . ?
C38 C37 C42 C75B 19.9(5) . . . . ?
C36 C37 C42 C75B -163.5(4) . . . . ?
C38 C37 C42 C43A -3.9(5) . . . . ?
C36 C37 C42 C43A 172.7(4) . . . . ?
C37 C42 C43A C44A -10.3(6) . . . . ?
C50 C42 C43A C44A -138.0(4) . . . . ?
C48 C42 C43A C44A 101.2(5) . . . . ?
C42 C43A C44A C54A 134.9(5) . . . . ?
C42 C43A C44A C38 18.2(6) . . . . ?
C42 C43A C44A C52A -102.6(6) . . . . ?
C39 C38 C44A C54A 61.7(6) . . . . ?
C37 C38 C44A C54A -140.0(4) . . . . ?
C39 C38 C44A C43A -179.9(4) . . . . ?
C37 C38 C44A C43A -21.6(5) . . . . ?
C39 C38 C44A C52A -61.4(6) . . . . ?
C37 C38 C44A C52A 96.9(6) . . . . ?
C39 C38 C43B C52B -65.7(6) . . . . ?
C37 C38 C43B C52B 132.7(4) . . . . ?
C39 C38 C43B C75B 175.7(5) . . . . ?
C37 C38 C43B C75B 14.1(5) . . . . ?
C39 C38 C43B C54B 55.2(7) . . . . ?
C37 C38 C43B C54B -106.3(5) . . . . ?
C39 C40 C45 C56 52.3(4) . . . . ?
C41 C40 C45 C56 -129.0(3) . . . . ?
C39 C40 C45 C58 -67.7(4) . . . . ?
C41 C40 C45 C58 111.0(3) . . . . ?
C39 C40 C45 C46 172.7(3) . . . . ?
C41 C40 C45 C46 -8.6(3) . . . . ?
C40 C45 C46 C47 9.4(3) . . . . ?
C56 C45 C46 C47 130.0(3) . . . . ?
C58 C45 C46 C47 -106.1(3) . . . . ?
C40 C41 C47 C62 -117.8(3) . . . . ?
C36 C41 C47 C62 64.1(4) . . . . ?
C40 C41 C47 C60 119.0(3) . . . . ?
C36 C41 C47 C60 -59.0(4) . . . . ?
C40 C41 C47 C46 1.7(3) . . . . ?
C36 C41 C47 C46 -176.3(3) . . . . ?
C45 C46 C47 C41 -7.1(3) . . . . ?
C45 C46 C47 C62 115.2(3) . . . . ?
C45 C46 C47 C60 -123.4(2) . . . . ?
C37 C42 C48 C49 178.3(3) . . . . ?
C50 C42 C48 C49 -55.6(4) . . . . ?
C75B C42 C48 C49 59.5(5) . . . . ?
C43A C42 C48 C49 72.0(4) . . . . ?
C37 C42 C50 C51 -47.7(4) . . . . ?
C48 C42 C50 C51 -170.0(3) . . . . ?
C75B C42 C50 C51 61.7(4) . . . . ?
C43A C42 C50 C51 73.6(4) . . . . ?
C54A C44A C52A C53A 60.2(8) . . . . ?
C43A C44A C52A C53A -64.9(9) . . . . ?
C38 C44A C52A C53A -175.5(6) . . . . ?
C43A C44A C54A C55A -63.7(7) . . . . ?
C38 C44A C54A C55A 45.4(7) . . . . ?
C52A C44A C54A C55A 172.1(6) . . . . ?
C75B C43B C52B C53B 65.0(8) . . . . ?
C38 C43B C52B C53B -47.4(8) . . . . ?
C54B C43B C52B C53B -171.0(7) . . . . ?
C52B C43B C54B C55B -56.4(8) . . . . ?
C75B C43B C54B C55B 69.0(8) . . . . ?
C38 C43B C54B C55B -174.1(6) . . . . ?
C40 C45 C56 C57 51.6(4) . . . . ?
C58 C45 C56 C57 170.8(3) . . . . ?
C46 C45 C56 C57 -62.8(3) . . . . ?
C40 C45 C58 C59 -169.6(3) . . . . ?
C56 C45 C58 C59 68.3(3) . . . . ?
C46 C45 C58 C59 -57.3(4) . . . . ?
C41 C47 C60 C61 -179.7(2) . . . . ?
C62 C47 C60 C61 54.5(3) . . . . ?
C46 C47 C60 C61 -67.4(3) . . . . ?
C41 C47 C62 C63 51.1(3) . . . . ?
C60 C47 C62 C63 173.9(2) . . . . ?
C46 C47 C62 C63 -64.2(3) . . . . ?
P4 P4 F4 F7 0.7(13) 2_656 . . 2_656 ?
F4 P4 F4 F7 0.7(13) 2_656 . . 2_656 ?
F8 P4 F4 F7 117.5(14) 2_656 . . 2_656 ?
F6 P4 F4 F7 -116.5(14) 2_656 . . 2_656 ?
F9 P4 F4 F7 -134.2(14) . . . 2_656 ?
F8 P4 F4 F7 -44.1(14) . . . 2_656 ?
F6 P4 F4 F7 45.2(14) . . . 2_656 ?
F5 P4 F4 F7 134.4(13) . . . 2_656 ?
F9 P4 F4 F7 34.4(13) 2_656 . . 2_656 ?
F5 P4 F4 F7 -34.1(13) 2_656 . . 2_656 ?
F4 P4 F4 P4 0.009(3) 2_656 . . 2_656 ?
F8 P4 F4 P4 116.8(6) 2_656 . . 2_656 ?
F6 P4 F4 P4 -117.2(6) 2_656 . . 2_656 ?
F9 P4 F4 P4 -134.9(6) . . . 2_656 ?
F8 P4 F4 P4 -44.8(5) . . . 2_656 ?
F6 P4 F4 P4 44.5(4) . . . 2_656 ?
F5 P4 F4 P4 133.7(5) . . . 2_656 ?
F9 P4 F4 P4 33.8(4) 2_656 . . 2_656 ?
F5 P4 F4 P4 -34.8(4) 2_656 . . 2_656 ?
P4 P4 F4 F6 117.2(6) 2_656 . . 2_656 ?
F4 P4 F4 F6 117.2(6) 2_656 . . 2_656 ?
F8 P4 F4 F6 -126.0(4) 2_656 . . 2_656 ?
F9 P4 F4 F6 -17.7(4) . . . 2_656 ?
F8 P4 F4 F6 72.4(4) . . . 2_656 ?
F6 P4 F4 F6 161.7(2) . . . 2_656 ?
F5 P4 F4 F6 -109.2(4) . . . 2_656 ?
F9 P4 F4 F6 150.9(4) 2_656 . . 2_656 ?
F5 P4 F4 F6 82.4(3) 2_656 . . 2_656 ?
P4 P4 F4 F8 -116.8(6) 2_656 . . 2_656 ?
F4 P4 F4 F8 -116.8(6) 2_656 . . 2_656 ?
F6 P4 F4 F8 126.0(4) 2_656 . . 2_656 ?
F9 P4 F4 F8 108.4(4) . . . 2_656 ?
F8 P4 F4 F8 -161.6(2) . . . 2_656 ?
F6 P4 F4 F8 -72.3(4) . . . 2_656 ?
F5 P4 F4 F8 16.9(4) . . . 2_656 ?
F9 P4 F4 F8 -83.0(4) 2_656 . . 2_656 ?
F5 P4 F4 F8 -151.6(4) 2_656 . . 2_656 ?
P4 P4 F5 F8 1.8(11) 2_656 . . 2_656 ?
F4 P4 F5 F8 122.9(9) 2_656 . . 2_656 ?
F6 P4 F5 F8 -102.2(9) 2_656 . . 2_656 ?
F9 P4 F5 F8 -126.1(9) . . . 2_656 ?
F6 P4 F5 F8 54.2(9) . . . 2_656 ?
F7 P4 F5 F8 143.3(9) . . . 2_656 ?
F4 P4 F5 F8 -36.5(9) . . . 2_656 ?
F9 P4 F5 F8 39.3(9) 2_656 . . 2_656 ?
F5 P4 F5 F8 1.8(11) 2_656 . . 2_656 ?
F4 P4 F5 P4 121.1(7) 2_656 . . 2_656 ?
F8 P4 F5 P4 -1.8(11) 2_656 . . 2_656 ?
F6 P4 F5 P4 -104.0(6) 2_656 . . 2_656 ?
F9 P4 F5 P4 -127.9(6) . . . 2_656 ?
F6 P4 F5 P4 52.4(5) . . . 2_656 ?
F7 P4 F5 P4 141.5(6) . . . 2_656 ?
F4 P4 F5 P4 -38.4(5) . . . 2_656 ?
F9 P4 F5 P4 37.5(4) 2_656 . . 2_656 ?
F5 P4 F5 P4 -0.002(2) 2_656 . . 2_656 ?
P4 P4 F6 F9 1.7(12) 2_656 . . 2_656 ?
F4 P4 F6 F9 124.4(13) 2_656 . . 2_656 ?
F8 P4 F6 F9 -102.9(13) 2_656 . . 2_656 ?
F6 P4 F6 F9 1.7(12) 2_656 . . 2_656 ?
F8 P4 F6 F9 53.8(12) . . . 2_656 ?
F7 P4 F6 F9 144.6(12) . . . 2_656 ?
F4 P4 F6 F9 -35.6(12) . . . 2_656 ?
F5 P4 F6 F9 -125.4(12) . . . 2_656 ?
F5 P4 F6 F9 40.0(12) 2_656 . . 2_656 ?
F4 P4 F6 P4 122.7(6) 2_656 . . 2_656 ?
F8 P4 F6 P4 -104.5(6) 2_656 . . 2_656 ?
F6 P4 F6 P4 0.001(2) 2_656 . . 2_656 ?
F8 P4 F6 P4 52.1(5) . . . 2_656 ?
F7 P4 F6 P4 142.9(6) . . . 2_656 ?
F4 P4 F6 P4 -37.3(4) . . . 2_656 ?
F5 P4 F6 P4 -127.1(5) . . . 2_656 ?
F9 P4 F6 P4 -1.7(12) 2_656 . . 2_656 ?
F5 P4 F6 P4 38.3(4) 2_656 . . 2_656 ?
P4 P4 F6 F4 -122.7(6) 2_656 . . 2_656 ?
F8 P4 F6 F4 132.8(4) 2_656 . . 2_656 ?
F6 P4 F6 F4 -122.7(6) 2_656 . . 2_656 ?
F8 P4 F6 F4 -70.6(4) . . . 2_656 ?
F7 P4 F6 F4 20.2(4) . . . 2_656 ?
F4 P4 F6 F4 -160.0(2) . . . 2_656 ?
F5 P4 F6 F4 110.2(4) . . . 2_656 ?
F9 P4 F6 F4 -124.4(13) 2_656 . . 2_656 ?
F5 P4 F6 F4 -84.4(4) 2_656 . . 2_656 ?
P4 P4 F6 F8 104.5(6) 2_656 . . 2_656 ?
F4 P4 F6 F8 -132.8(4) 2_656 . . 2_656 ?
F6 P4 F6 F8 104.5(6) 2_656 . . 2_656 ?
F8 P4 F6 F8 156.63(18) . . . 2_656 ?
F7 P4 F6 F8 -112.5(4) . . . 2_656 ?
F4 P4 F6 F8 67.3(4) . . . 2_656 ?
F5 P4 F6 F8 -22.5(3) . . . 2_656 ?
F9 P4 F6 F8 102.9(13) 2_656 . . 2_656 ?
F5 P4 F6 F8 142.9(4) 2_656 . . 2_656 ?
P4 P4 F7 F4 -0.7(13) 2_656 . . 2_656 ?
F8 P4 F7 F4 -117.2(10) 2_656 . . 2_656 ?
F6 P4 F7 F4 116.8(10) 2_656 . . 2_656 ?
F9 P4 F7 F4 134.4(10) . . . 2_656 ?
F8 P4 F7 F4 44.3(10) . . . 2_656 ?
F6 P4 F7 F4 -45.0(10) . . . 2_656 ?
F5 P4 F7 F4 -134.1(10) . . . 2_656 ?
F9 P4 F7 F4 -34.3(10) 2_656 . . 2_656 ?
F5 P4 F7 F4 34.3(10) 2_656 . . 2_656 ?
F4 P4 F7 P4 0.7(13) 2_656 . . 2_656 ?
F8 P4 F7 P4 -116.6(8) 2_656 . . 2_656 ?
F6 P4 F7 P4 117.4(8) 2_656 . . 2_656 ?
F9 P4 F7 P4 135.1(7) . . . 2_656 ?
F8 P4 F7 P4 45.0(6) . . . 2_656 ?
F6 P4 F7 P4 -44.3(6) . . . 2_656 ?
F5 P4 F7 P4 -133.5(7) . . . 2_656 ?
F9 P4 F7 P4 -33.6(6) 2_656 . . 2_656 ?
F5 P4 F7 P4 34.9(6) 2_656 . . 2_656 ?
P4 P4 F8 F5 -1.9(11) 2_656 . . 2_656 ?
F4 P4 F8 F5 -124.0(12) 2_656 . . 2_656 ?
F8 P4 F8 F5 -1.9(11) 2_656 . . 2_656 ?
F6 P4 F8 F5 102.1(12) 2_656 . . 2_656 ?
F9 P4 F8 F5 125.5(11) . . . 2_656 ?
F6 P4 F8 F5 -54.8(11) . . . 2_656 ?
F7 P4 F8 F5 -143.8(11) . . . 2_656 ?
F4 P4 F8 F5 36.0(11) . . . 2_656 ?
F9 P4 F8 F5 -39.9(11) 2_656 . . 2_656 ?
F4 P4 F8 P4 -122.1(6) 2_656 . . 2_656 ?
F8 P4 F8 P4 -0.003(2) 2_656 . . 2_656 ?
F6 P4 F8 P4 104.0(5) 2_656 . . 2_656 ?
F9 P4 F8 P4 127.5(5) . . . 2_656 ?
F6 P4 F8 P4 -52.8(4) . . . 2_656 ?
F7 P4 F8 P4 -141.9(5) . . . 2_656 ?
F4 P4 F8 P4 37.9(4) . . . 2_656 ?
F9 P4 F8 P4 -38.0(4) 2_656 . . 2_656 ?
F5 P4 F8 P4 1.9(11) 2_656 . . 2_656 ?
P4 P4 F8 F4 122.1(6) 2_656 . . 2_656 ?
F8 P4 F8 F4 122.1(6) 2_656 . . 2_656 ?
F6 P4 F8 F4 -133.9(5) 2_656 . . 2_656 ?
F9 P4 F8 F4 -110.4(4) . . . 2_656 ?
F6 P4 F8 F4 69.3(4) . . . 2_656 ?
F7 P4 F8 F4 -19.8(5) . . . 2_656 ?
F4 P4 F8 F4 160.1(2) . . . 2_656 ?
F9 P4 F8 F4 84.1(4) 2_656 . . 2_656 ?
F5 P4 F8 F4 124.0(12) 2_656 . . 2_656 ?
P4 P4 F8 F6 -104.0(5) 2_656 . . 2_656 ?
F4 P4 F8 F6 133.9(5) 2_656 . . 2_656 ?
F8 P4 F8 F6 -104.0(5) 2_656 . . 2_656 ?
F9 P4 F8 F6 23.4(4) . . . 2_656 ?
F6 P4 F8 F6 -156.86(18) . . . 2_656 ?
F7 P4 F8 F6 114.1(4) . . . 2_656 ?
F4 P4 F8 F6 -66.1(4) . . . 2_656 ?
F9 P4 F8 F6 -142.0(4) 2_656 . . 2_656 ?
F5 P4 F8 F6 -102.1(12) 2_656 . . 2_656 ?
P4 P4 F9 F6 -1.7(12) 2_656 . . 2_656 ?
F4 P4 F9 F6 -123.8(9) 2_656 . . 2_656 ?
F8 P4 F9 F6 103.3(10) 2_656 . . 2_656 ?
F8 P4 F9 F6 -53.4(10) . . . 2_656 ?
F7 P4 F9 F6 -144.2(10) . . . 2_656 ?
F4 P4 F9 F6 36.0(10) . . . 2_656 ?
F5 P4 F9 F6 125.8(10) . . . 2_656 ?
F9 P4 F9 F6 -1.7(12) 2_656 . . 2_656 ?
F5 P4 F9 F6 -39.7(10) 2_656 . . 2_656 ?
F4 P4 F9 P4 -122.1(7) 2_656 . . 2_656 ?
F8 P4 F9 P4 105.0(7) 2_656 . . 2_656 ?
F6 P4 F9 P4 1.7(12) 2_656 . . 2_656 ?
F8 P4 F9 P4 -51.7(6) . . . 2_656 ?
F7 P4 F9 P4 -142.5(7) . . . 2_656 ?
F4 P4 F9 P4 37.7(5) . . . 2_656 ?
F5 P4 F9 P4 127.5(6) . . . 2_656 ?
F9 P4 F9 P4 -0.002(2) 2_656 . . 2_656 ?
F5 P4 F9 P4 -38.0(5) 2_656 . . 2_656 ?
C69A C64A C65A C66A -2.0(11) . . . . ?
C70A C64A C65A C66A 174.6(7) . . . . ?
C64A C65A C66A C67A 1.7(11) . . . . ?
C65A C66A C67A C68A -3.5(11) . . . . ?
C66A C67A C68A C69A 5.4(11) . . . . ?
C65A C64A C69A C68A 3.9(11) . . . . ?
C70A C64A C69A C68A -172.8(6) . . . . ?
C67A C68A C69A C64A -5.5(10) . . . . ?
C69B C64B C65B C66B 4.6(17) . . . . ?
C70B C64B C65B C66B -178.6(11) . . . . ?
C64B C65B C66B C67B -8(2) . . . . ?
C65B C66B C67B C68B 4(2) . . . . ?
C66B C67B C68B C69B 3.3(17) . . . . ?
C65B C64B C69B C68B 2.2(14) . . . . ?
C70B C64B C69B C68B -174.8(8) . . . . ?
C67B C68B C69B C64B -6.3(14) . . . . ?
C74B C14 C73B C71B -167.6(8) . . . . ?
C9 C14 C73B C71B -46.8(8) . . . . ?
C15 C14 C73B C71B 60.8(8) . . . . ?
C9 C14 C74B C72B 55.9(10) . . . . ?
C15 C14 C74B C72B -71.5(9) . . . . ?
C73B C14 C74B C72B 169.2(8) . . . . ?
C52B C43B C75B C42 -114.1(5) . . . . ?
C38 C43B C75B C42 -1.3(6) . . . . ?
C54B C43B C75B C42 122.0(5) . . . . ?
C37 C42 C75B C43B -10.2(6) . . . . ?
C50 C42 C75B C43B -128.7(4) . . . . ?
C48 C42 C75B C43B 111.0(5) . . . . ?
