#------------------------------------------------------------------------------
#$Date: 2023-05-05 05:18:10 +0300 (Fri, 05 May 2023) $
#$Revision: 283302 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/21/7712158.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_7712158
loop_
_publ_author_name
'Sheokand, Sonu'
'Mondal, Dipanjan'
'Kote, Basvaraj S.'
'Radhakrishna, Latchupatula'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Novel 1,2,3-triazolyl phosphine with a pyridyl functionality: synthesis,
 coinage metal complexes, photophysical studies and Cu(I) catalyzed C-O
 coupling of phenols with aryl bromides.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1785
_journal_page_last               1796
_journal_paper_doi               10.1039/d2dt03791b
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C50 H38 Cu2 I2 N8 P2'
_chemical_formula_sum            'C50 H38 Cu2 I2 N8 P2'
_chemical_formula_weight         1193.70
_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_date             2022-09-30
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2022-11-24 deposited with the CCDC.	2022-12-30 downloaded from the CCDC.
;
_cell_angle_alpha                106.577(2)
_cell_angle_beta                 91.571(2)
_cell_angle_gamma                118.819(2)
_cell_formula_units_Z            1
_cell_length_a                   10.1156(2)
_cell_length_b                   10.2713(2)
_cell_length_c                   13.6838(3)
_cell_measurement_reflns_used    24253
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      30.2880
_cell_measurement_theta_min      2.3290
_cell_volume                     1170.63(5)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.794
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  φ    154.25 334.25   1.00    1.00 -25.75   0.00  73.76    --   180
  2  φ    -10.27 349.13   0.60    2.00  77.88 -12.98  31.50    --   599
  3  ω    -68.96   0.04   0.60    2.00    --  -19.47  94.56 -34.84  115
  4  ω    -65.46  -0.06   0.60    2.00    --  -15.96  94.56 145.16  109
  5  ω   -108.63  15.57   0.60    2.00    --  -12.98 -59.25 173.08  207
  6  φ   -350.03   9.37   0.60    2.00   9.41 -12.98 -31.50    --   599
  7  ω    -65.46  -0.06   0.60    2.00    --  -15.96  94.56   1.16  109
  8  ω   -108.63  15.57   0.60    2.00    --  -12.98 -59.25 -33.92  207
  9  φ   -340.22  19.18   0.60    2.00  16.12 -12.98 -59.25    --   599
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.794
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            64162
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.794
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         35.819
_diffrn_reflns_theta_min         1.584
_exptl_absorpt_coefficient_mu    2.340
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.36429
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_description       block
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.095
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.071
_refine_diff_density_max         1.177
_refine_diff_density_min         -1.150
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         8690
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0345
_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)+(0.0349P)²+0.7933P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0766
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7107
_reflns_number_total             8690
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03791b2.cif
_cod_data_source_block           comp_4
_cod_depositor_comments
'Adding full bibliography for 7712157--7712163.cif.'
_cod_database_code               7712158
_shelx_shelxl_version_number     2018/3
_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_max   0.851
_shelx_estimated_absorpt_t_min   0.808
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C25(H25), C4(H4), C23(H23), C24(H24), C21(H21), C22(H22), C13(H13), C3(H3),
 C1(H1), C2(H2), C12(H12), C15(H15), C9(H9), C19(H19), C17(H17), C11(H11),
 C10(H10), C18(H18), C16(H16)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
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
I1 I 0.73034(2) 0.14059(2) 0.46119(2) 0.02236(4) Uani 1 1 d . . . . .
Cu1 Cu 0.55603(3) 0.10603(3) 0.59716(2) 0.01971(6) Uani 1 1 d . . . . .
P1 P 0.54901(6) 0.31428(6) 0.69618(4) 0.01643(9) Uani 1 1 d . . . . .
N4 N 0.37828(18) 0.26822(19) 0.86266(12) 0.0189(3) Uani 1 1 d . . . . .
N2 N 0.4212(2) 0.1096(2) 0.91304(13) 0.0227(3) Uani 1 1 d . . . . .
N3 N 0.3435(2) 0.1820(2) 0.92726(13) 0.0231(3) Uani 1 1 d . . . . .
N1 N 0.63883(19) 0.05533(19) 0.71466(13) 0.0207(3) Uani 1 1 d . . . . .
C6 C 0.5050(2) 0.1454(2) 0.83809(14) 0.0180(3) Uani 1 1 d . . . . .
C7 C 0.4791(2) 0.2481(2) 0.80405(14) 0.0173(3) Uani 1 1 d . . . . .
C20 C 0.7319(2) 0.4974(2) 0.75515(15) 0.0192(3) Uani 1 1 d . . . . .
C25 C 0.7788(2) 0.5888(2) 0.86005(16) 0.0238(4) Uani 1 1 d . . . . .
H25 H 0.714247 0.555524 0.907627 0.029 Uiso 1 1 calc R U . . .
C5 C 0.6004(2) 0.0729(2) 0.80901(15) 0.0190(3) Uani 1 1 d . . . . .
C14 C 0.4206(2) 0.3715(2) 0.65170(15) 0.0216(4) Uani 1 1 d . . . . .
C4 C 0.6442(2) 0.0199(3) 0.88034(17) 0.0254(4) Uani 1 1 d . . . . .
H4 H 0.616641 0.034662 0.946760 0.030 Uiso 1 1 calc R U . . .
C23 C 1.0159(3) 0.7785(3) 0.8269(2) 0.0330(5) Uani 1 1 d . . . . .
H23 H 1.111699 0.875181 0.851307 0.040 Uiso 1 1 calc R U . . .
C8 C 0.2991(2) 0.3532(2) 0.86393(15) 0.0215(4) Uani 1 1 d . . . . .
C24 C 0.9208(3) 0.7293(3) 0.89544(18) 0.0294(4) Uani 1 1 d . . . . .
H24 H 0.952378 0.791736 0.967164 0.035 Uiso 1 1 calc R U . . .
C21 C 0.8309(3) 0.5465(3) 0.68701(18) 0.0288(4) Uani 1 1 d . . . . .
H21 H 0.801655 0.483225 0.615544 0.035 Uiso 1 1 calc R U . . .
C22 C 0.9712(3) 0.6868(3) 0.7231(2) 0.0365(5) Uani 1 1 d . . . . .
H22 H 1.036971 0.720008 0.676064 0.044 Uiso 1 1 calc R U . . .
C13 C 0.3802(3) 0.5138(3) 0.88109(17) 0.0273(4) Uani 1 1 d . . . . .
H13 H 0.489203 0.569904 0.890321 0.033 Uiso 1 1 calc R U . . .
C3 C 0.7277(3) -0.0540(3) 0.85319(19) 0.0293(4) Uani 1 1 d . . . . .
H3 H 0.757709 -0.091523 0.900402 0.035 Uiso 1 1 calc R U . . .
C1 C 0.7212(3) -0.0162(3) 0.68965(17) 0.0266(4) Uani 1 1 d . . . . .
H1 H 0.749007 -0.028589 0.623294 0.032 Uiso 1 1 calc R U . . .
C2 C 0.7673(3) -0.0725(3) 0.75633(18) 0.0281(4) Uani 1 1 d . . . . .
H2 H 0.824844 -0.122930 0.735853 0.034 Uiso 1 1 calc R U . . .
C12 C 0.2986(3) 0.5910(3) 0.8845(2) 0.0344(5) Uani 1 1 d . . . . .
H12 H 0.352158 0.701030 0.895242 0.041 Uiso 1 1 calc R U . . .
C15 C 0.4735(3) 0.5216(3) 0.6468(2) 0.0340(5) Uani 1 1 d . . . . .
H15 H 0.579922 0.599017 0.668389 0.041 Uiso 1 1 calc R U . . .
C9 C 0.1408(3) 0.2698(3) 0.85108(19) 0.0306(5) Uani 1 1 d . . . . .
H9 H 0.086947 0.159428 0.838934 0.037 Uiso 1 1 calc R U . . .
C19 C 0.2650(3) 0.2577(3) 0.61666(19) 0.0317(5) Uani 1 1 d . . . . .
H19 H 0.228415 0.153516 0.616860 0.038 Uiso 1 1 calc R U . . .
C17 C 0.2165(3) 0.4472(4) 0.5790(2) 0.0425(6) Uani 1 1 d . . . . .
H17 H 0.146282 0.473640 0.555721 0.051 Uiso 1 1 calc R U . . .
C11 C 0.1398(3) 0.5091(3) 0.8723(2) 0.0393(6) Uani 1 1 d . . . . .
H11 H 0.084972 0.563154 0.875218 0.047 Uiso 1 1 calc R U . . .
C10 C 0.0613(3) 0.3496(3) 0.8561(2) 0.0394(6) Uani 1 1 d . . . . .
H10 H -0.047561 0.293823 0.848380 0.047 Uiso 1 1 calc R U . . .
C18 C 0.1635(3) 0.2967(4) 0.5815(2) 0.0412(6) Uani 1 1 d . . . . .
H18 H 0.057094 0.219500 0.558903 0.049 Uiso 1 1 calc R U . . .
C16 C 0.3704(3) 0.5584(3) 0.6103(2) 0.0442(6) Uani 1 1 d . . . . .
H16 H 0.406911 0.661050 0.607036 0.053 Uiso 1 1 calc R U . . .
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'
I I -0.4742 1.8119 '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
Cu1 I1 Cu1 61.792(9) . 2_656 ?
I1 Cu1 I1 118.208(9) . 2_656 ?
I1 Cu1 Cu1 57.572(9) 2_656 2_656 ?
I1 Cu1 Cu1 60.636(9) . 2_656 ?
P1 Cu1 I1 118.910(16) . . ?
P1 Cu1 I1 107.977(16) . 2_656 ?
P1 Cu1 Cu1 140.200(19) . 2_656 ?
N1 Cu1 I1 99.35(5) . 2_656 ?
N1 Cu1 I1 110.32(5) . . ?
N1 Cu1 Cu1 119.56(5) . 2_656 ?
N1 Cu1 P1 98.48(5) . . ?
C7 P1 Cu1 99.92(6) . . ?
C7 P1 C20 104.77(9) . . ?
C20 P1 Cu1 117.38(6) . . ?
C14 P1 Cu1 121.03(7) . . ?
C14 P1 C7 106.33(9) . . ?
C14 P1 C20 105.53(9) . . ?
N3 N4 C7 110.99(16) . . ?
N3 N4 C8 116.23(15) . . ?
C7 N4 C8 132.67(16) . . ?
N3 N2 C6 109.26(16) . . ?
N2 N3 N4 107.59(15) . . ?
C5 N1 Cu1 124.14(13) . . ?
C1 N1 Cu1 117.31(14) . . ?
C1 N1 C5 118.10(17) . . ?
N2 C6 C7 108.97(17) . . ?
N2 C6 C5 117.92(16) . . ?
C7 C6 C5 133.11(17) . . ?
N4 C7 P1 130.75(14) . . ?
N4 C7 C6 103.17(16) . . ?
C6 C7 P1 125.69(14) . . ?
C25 C20 P1 125.40(15) . . ?
C25 C20 C21 118.98(19) . . ?
C21 C20 P1 115.62(15) . . ?
C20 C25 H25 120.0 . . ?
C20 C25 C24 120.0(2) . . ?
C24 C25 H25 120.0 . . ?
N1 C5 C6 119.83(16) . . ?
N1 C5 C4 121.85(18) . . ?
C4 C5 C6 118.29(18) . . ?
C15 C14 P1 122.36(17) . . ?
C15 C14 C19 119.3(2) . . ?
C19 C14 P1 118.23(16) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 C5 119.3(2) . . ?
C3 C4 H4 120.4 . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.8(2) . . ?
C13 C8 N4 120.73(18) . . ?
C9 C8 N4 117.60(18) . . ?
C9 C8 C13 121.6(2) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 C25 120.5(2) . . ?
C23 C24 H24 119.8 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.4(2) . . ?
C22 C21 H21 119.8 . . ?
C23 C22 C21 120.3(2) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C8 C13 H13 120.8 . . ?
C8 C13 C12 118.5(2) . . ?
C12 C13 H13 120.8 . . ?
C4 C3 H3 120.5 . . ?
C4 C3 C2 119.1(2) . . ?
C2 C3 H3 120.5 . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 123.0(2) . . ?
C2 C1 H1 118.5 . . ?
C3 C2 C1 118.7(2) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C13 C12 H12 119.7 . . ?
C11 C12 C13 120.6(2) . . ?
C11 C12 H12 119.7 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.0(2) . . ?
C16 C15 H15 120.0 . . ?
C8 C9 H9 120.5 . . ?
C8 C9 C10 119.1(2) . . ?
C10 C9 H9 120.5 . . ?
C14 C19 H19 120.0 . . ?
C18 C19 C14 119.9(2) . . ?
C18 C19 H19 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0(2) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.1(2) . . ?
C10 C11 H11 120.0 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.2(2) . . ?
C11 C10 H10 119.9 . . ?
C19 C18 H18 119.8 . . ?
C17 C18 C19 120.4(3) . . ?
C17 C18 H18 119.8 . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.3(2) . . ?
C17 C16 H16 119.8 . . ?
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
I1 Cu1 2.5789(3) . ?
I1 Cu1 2.6628(3) 2_656 ?
Cu1 Cu1 2.6924(5) 2_656 ?
Cu1 P1 2.2168(5) . ?
Cu1 N1 2.0934(16) . ?
P1 C7 1.8184(19) . ?
P1 C20 1.819(2) . ?
P1 C14 1.817(2) . ?
N4 N3 1.361(2) . ?
N4 C7 1.370(2) . ?
N4 C8 1.439(2) . ?
N2 N3 1.303(2) . ?
N2 C6 1.367(2) . ?
N1 C5 1.347(3) . ?
N1 C1 1.346(3) . ?
C6 C7 1.393(2) . ?
C6 C5 1.479(3) . ?
C20 C25 1.390(3) . ?
C20 C21 1.400(3) . ?
C25 H25 0.9500 . ?
C25 C24 1.395(3) . ?
C5 C4 1.399(3) . ?
C14 C15 1.390(3) . ?
C14 C19 1.392(3) . ?
C4 H4 0.9500 . ?
C4 C3 1.380(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.382(3) . ?
C23 C22 1.379(4) . ?
C8 C13 1.383(3) . ?
C8 C9 1.380(3) . ?
C24 H24 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.385(3) . ?
C22 H22 0.9500 . ?
C13 H13 0.9500 . ?
C13 C12 1.387(3) . ?
C3 H3 0.9500 . ?
C3 C2 1.383(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.387(3) . ?
C2 H2 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.386(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.392(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.388(3) . ?
C19 H19 0.9500 . ?
C19 C18 1.388(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.382(4) . ?
C17 C16 1.372(4) . ?
C11 H11 0.9500 . ?
C11 C10 1.376(4) . ?
C10 H10 0.9500 . ?
C18 H18 0.9500 . ?
C16 H16 0.9500 . ?
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
Cu1 P1 C7 N4 -142.02(17) . . . . ?
Cu1 P1 C7 C6 29.63(17) . . . . ?
Cu1 P1 C20 C25 -128.49(16) . . . . ?
Cu1 P1 C20 C21 51.34(17) . . . . ?
Cu1 P1 C14 C15 -123.92(18) . . . . ?
Cu1 P1 C14 C19 52.88(19) . . . . ?
Cu1 N1 C5 C6 -5.7(2) . . . . ?
Cu1 N1 C5 C4 172.28(15) . . . . ?
Cu1 N1 C1 C2 -172.31(17) . . . . ?
P1 C20 C25 C24 -178.41(16) . . . . ?
P1 C20 C21 C22 178.02(18) . . . . ?
P1 C14 C15 C16 178.8(2) . . . . ?
P1 C14 C19 C18 -179.6(2) . . . . ?
N4 C8 C13 C12 -178.2(2) . . . . ?
N4 C8 C9 C10 177.4(2) . . . . ?
N2 C6 C7 P1 -173.48(14) . . . . ?
N2 C6 C7 N4 0.0(2) . . . . ?
N2 C6 C5 N1 155.89(18) . . . . ?
N2 C6 C5 C4 -22.2(3) . . . . ?
N3 N4 C7 P1 172.34(14) . . . . ?
N3 N4 C7 C6 -0.7(2) . . . . ?
N3 N4 C8 C13 126.4(2) . . . . ?
N3 N4 C8 C9 -51.4(2) . . . . ?
N3 N2 C6 C7 0.7(2) . . . . ?
N3 N2 C6 C5 -179.16(16) . . . . ?
N1 C5 C4 C3 -0.7(3) . . . . ?
N1 C1 C2 C3 -0.3(3) . . . . ?
C6 N2 N3 N4 -1.1(2) . . . . ?
C6 C5 C4 C3 177.34(19) . . . . ?
C7 P1 C20 C25 -18.8(2) . . . . ?
C7 P1 C20 C21 161.05(16) . . . . ?
C7 P1 C14 C15 123.40(19) . . . . ?
C7 P1 C14 C19 -59.81(19) . . . . ?
C7 N4 N3 N2 1.1(2) . . . . ?
C7 N4 C8 C13 -57.8(3) . . . . ?
C7 N4 C8 C9 124.4(2) . . . . ?
C7 C6 C5 N1 -23.9(3) . . . . ?
C7 C6 C5 C4 158.0(2) . . . . ?
C20 P1 C7 N4 96.05(19) . . . . ?
C20 P1 C7 C6 -92.30(18) . . . . ?
C20 P1 C14 C15 12.5(2) . . . . ?
C20 P1 C14 C19 -170.73(17) . . . . ?
C20 C25 C24 C23 -0.2(3) . . . . ?
C20 C21 C22 C23 0.9(4) . . . . ?
C25 C20 C21 C22 -2.1(3) . . . . ?
C5 N1 C1 C2 0.2(3) . . . . ?
C5 C6 C7 P1 6.3(3) . . . . ?
C5 C6 C7 N4 179.83(19) . . . . ?
C5 C4 C3 C2 0.6(3) . . . . ?
C14 P1 C7 N4 -15.4(2) . . . . ?
C14 P1 C7 C6 156.25(17) . . . . ?
C14 P1 C20 C25 93.24(19) . . . . ?
C14 P1 C20 C21 -86.93(17) . . . . ?
C14 C15 C16 C17 0.0(4) . . . . ?
C14 C19 C18 C17 1.3(4) . . . . ?
C4 C3 C2 C1 -0.1(3) . . . . ?
C8 N4 N3 N2 177.84(16) . . . . ?
C8 N4 C7 P1 -3.6(3) . . . . ?
C8 N4 C7 C6 -176.66(19) . . . . ?
C8 C13 C12 C11 0.9(4) . . . . ?
C8 C9 C10 C11 0.9(4) . . . . ?
C24 C23 C22 C21 0.6(4) . . . . ?
C21 C20 C25 C24 1.8(3) . . . . ?
C22 C23 C24 C25 -1.0(4) . . . . ?
C13 C8 C9 C10 -0.4(4) . . . . ?
C13 C12 C11 C10 -0.4(4) . . . . ?
C1 N1 C5 C6 -177.70(18) . . . . ?
C1 N1 C5 C4 0.3(3) . . . . ?
C12 C11 C10 C9 -0.5(4) . . . . ?
C15 C14 C19 C18 -2.7(4) . . . . ?
C9 C8 C13 C12 -0.5(3) . . . . ?
C19 C14 C15 C16 2.1(4) . . . . ?
C18 C17 C16 C15 -1.5(4) . . . . ?
C16 C17 C18 C19 0.8(4) . . . . ?
