# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_7a
_database_code_depnum_ccdc_archive 'CCDC 2100126'
loop_
_audit_author_name
_audit_author_address
'Franc Perdih'
;University of Ljubljana
Slovenia
;
_audit_update_record             
;
2021-07-29 deposited with the CCDC.	2021-09-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H24 N O2 P'
_chemical_formula_sum            'C24 H24 N O2 P'
_chemical_formula_weight         389.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.7785(7)
_cell_length_b                   17.1967(9)
_cell_length_c                   11.2241(6)
_cell_angle_alpha                90
_cell_angle_beta                 115.786(8)
_cell_angle_gamma                90
_cell_volume                     2047.1(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3857
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.5390
_cell_measurement_theta_min      3.0290

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_F_000             824
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.154
_shelx_estimated_absorpt_T_min   0.914
_shelx_estimated_absorpt_T_max   0.977
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4933
_diffrn_reflns_number            11169
_diffrn_reflns_av_unetI/netI     0.0438
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.337
_diffrn_reflns_theta_max         27.485
_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             4703
_reflns_number_gt                3698
_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_cell_refinement       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0452P)²+0.5056P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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         4703
_refine_ls_number_parameters     254
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0429
_refine_ls_wR_factor_ref         0.1157
_refine_ls_wR_factor_gt          0.1008
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.66335(4) 0.20347(3) 0.68759(4) 0.02723(13) Uani 1 1 d . . . . .
O1 O 0.67278(11) 0.22203(7) 0.82066(10) 0.0364(3) Uani 1 1 d . . . . .
O2 O 0.77033(11) 0.46088(7) 0.79605(12) 0.0391(3) Uani 1 1 d . . . . .
N1 N 0.75884(12) 0.34639(8) 0.68555(12) 0.0285(3) Uani 1 1 d . . . . .
C1 C 0.66231(14) 0.29307(10) 0.59648(14) 0.0275(3) Uani 1 1 d . . . . .
H1 H 0.675252 0.281338 0.515991 0.033 Uiso 1 1 calc R U . . .
C2 C 0.54300(15) 0.33862(10) 0.56202(14) 0.0290(4) Uani 1 1 d . . . . .
C3 C 0.41937(16) 0.32348(11) 0.47100(16) 0.0358(4) Uani 1 1 d . . . . .
H3 H 0.398541 0.277449 0.419032 0.043 Uiso 1 1 calc R U . . .
C4 C 0.32784(16) 0.37738(12) 0.45849(18) 0.0418(5) Uani 1 1 d . . . . .
H4 H 0.243001 0.368123 0.396612 0.050 Uiso 1 1 calc R U . . .
C5 C 0.35691(17) 0.44475(12) 0.53419(18) 0.0428(5) Uani 1 1 d . . . . .
H5 H 0.291961 0.480580 0.524145 0.051 Uiso 1 1 calc R U . . .
C6 C 0.47997(17) 0.46002(11) 0.62422(18) 0.0386(4) Uani 1 1 d . . . . .
H6 H 0.500801 0.506070 0.676141 0.046 Uiso 1 1 calc R U . . .
C7 C 0.57145(15) 0.40637(10) 0.63629(15) 0.0300(4) Uani 1 1 d . . . . .
C8 C 0.70931(15) 0.41028(10) 0.71725(15) 0.0304(4) Uani 1 1 d . . . . .
C9 C 0.89328(14) 0.32737(11) 0.75291(15) 0.0310(4) Uani 1 1 d . . . . .
H9A H 0.903505 0.276860 0.798787 0.037 Uiso 1 1 calc R U . . .
H9B H 0.936852 0.367438 0.820927 0.037 Uiso 1 1 calc R U . . .
C10 C 0.95566(15) 0.32258(11) 0.66007(16) 0.0325(4) Uani 1 1 d . . . . .
H10A H 0.964847 0.375655 0.631220 0.039 Uiso 1 1 calc R U . . .
H10B H 0.901017 0.292474 0.580484 0.039 Uiso 1 1 calc R U . . .
C11 C 1.08442(16) 0.28429(12) 0.72530(18) 0.0404(4) Uani 1 1 d . . . . .
H11A H 1.138340 0.313786 0.805957 0.048 Uiso 1 1 calc R U . . .
H11B H 1.074875 0.230871 0.752571 0.048 Uiso 1 1 calc R U . . .
C12 C 1.1486(2) 0.28066(17) 0.6345(2) 0.0680(7) Uani 1 1 d . . . . .
H12A H 1.095934 0.251168 0.554749 0.102 Uiso 1 1 calc R U . . .
H12B H 1.230621 0.254943 0.680255 0.102 Uiso 1 1 calc R U . . .
H12C H 1.160972 0.333513 0.609645 0.102 Uiso 1 1 calc R U . . .
C13 C 0.52344(15) 0.15024(10) 0.58601(15) 0.0298(4) Uani 1 1 d . . . . .
C14 C 0.43767(17) 0.13574(12) 0.63621(18) 0.0410(4) Uani 1 1 d . . . . .
H14 H 0.452409 0.155419 0.720784 0.049 Uiso 1 1 calc R U . . .
C15 C 0.32996(18) 0.09260(13) 0.5642(2) 0.0533(6) Uani 1 1 d . . . . .
H15 H 0.271810 0.082144 0.599966 0.064 Uiso 1 1 calc R U . . .
C16 C 0.30736(19) 0.06510(12) 0.4416(2) 0.0524(6) Uani 1 1 d . . . . .
H16 H 0.233482 0.035557 0.392307 0.063 Uiso 1 1 calc R U . . .
C17 C 0.39094(19) 0.08003(14) 0.3896(2) 0.0590(6) Uani 1 1 d . . . . .
H17 H 0.374241 0.061354 0.303901 0.071 Uiso 1 1 calc R U . . .
C18 C 0.49935(18) 0.12209(14) 0.46107(19) 0.0517(6) Uani 1 1 d . . . . .
H18 H 0.557471 0.131796 0.424951 0.062 Uiso 1 1 calc R U . . .
C19 C 0.79391(15) 0.14523(10) 0.69567(15) 0.0288(4) Uani 1 1 d . . . . .
C20 C 0.86546(17) 0.10763(11) 0.81546(16) 0.0369(4) Uani 1 1 d . . . . .
H20 H 0.843888 0.113087 0.887336 0.044 Uiso 1 1 calc R U . . .
C21 C 0.96795(17) 0.06234(11) 0.82957(18) 0.0414(4) Uani 1 1 d . . . . .
H21 H 1.016974 0.037342 0.911538 0.050 Uiso 1 1 calc R U . . .
C22 C 0.99905(16) 0.05340(11) 0.72572(18) 0.0398(4) Uani 1 1 d . . . . .
H22 H 1.069628 0.022516 0.736102 0.048 Uiso 1 1 calc R U . . .
C23 C 0.92750(16) 0.08939(11) 0.60610(17) 0.0359(4) Uani 1 1 d . . . . .
H23 H 0.948359 0.082443 0.533998 0.043 Uiso 1 1 calc R U . . .
C24 C 0.82547(15) 0.13559(10) 0.59065(15) 0.0312(4) Uani 1 1 d . . . . .
H24 H 0.777204 0.160606 0.508494 0.037 Uiso 1 1 calc R U . . .


_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 O1 1.4834(11) . ?
P1 C13 1.7942(16) . ?
P1 C19 1.8041(17) . ?
P1 C1 1.8464(17) . ?
O2 C8 1.226(2) . ?
N1 C8 1.362(2) . ?
N1 C1 1.464(2) . ?
N1 C9 1.464(2) . ?
C1 C2 1.505(2) . ?
C1 H1 1.0000 . ?
C2 C7 1.386(2) . ?
C2 C3 1.392(2) . ?
C3 C4 1.382(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.380(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.478(2) . ?
C9 C10 1.516(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.518(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.512(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.377(2) . ?
C13 C18 1.391(2) . ?
C14 C15 1.386(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.367(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.369(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.392(2) . ?
C19 C20 1.396(2) . ?
C20 C21 1.387(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.374(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.383(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(2) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?

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
O1 P1 C13 113.29(8) . . ?
O1 P1 C19 112.33(7) . . ?
C13 P1 C19 106.02(8) . . ?
O1 P1 C1 110.96(7) . . ?
C13 P1 C1 106.91(7) . . ?
C19 P1 C1 106.93(8) . . ?
C8 N1 C1 112.95(13) . . ?
C8 N1 C9 122.36(13) . . ?
C1 N1 C9 123.83(14) . . ?
N1 C1 C2 102.16(13) . . ?
N1 C1 P1 109.17(10) . . ?
C2 C1 P1 110.92(11) . . ?
N1 C1 H1 111.4 . . ?
C2 C1 H1 111.4 . . ?
P1 C1 H1 111.4 . . ?
C7 C2 C3 120.03(16) . . ?
C7 C2 C1 109.17(14) . . ?
C3 C2 C1 130.78(16) . . ?
C4 C3 C2 118.03(18) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C3 C4 C5 121.58(17) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 H4 119.2 . . ?
C6 C5 C4 120.40(18) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C7 C6 C5 118.02(18) . . ?
C7 C6 H6 121.0 . . ?
C5 C6 H6 121.0 . . ?
C6 C7 C2 121.93(16) . . ?
C6 C7 C8 129.22(16) . . ?
C2 C7 C8 108.76(15) . . ?
O2 C8 N1 125.29(15) . . ?
O2 C8 C7 128.21(16) . . ?
N1 C8 C7 106.48(14) . . ?
N1 C9 C10 113.32(13) . . ?
N1 C9 H9A 108.9 . . ?
C10 C9 H9A 108.9 . . ?
N1 C9 H9B 108.9 . . ?
C10 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
C9 C10 C11 111.92(14) . . ?
C9 C10 H10A 109.2 . . ?
C11 C10 H10A 109.2 . . ?
C9 C10 H10B 109.2 . . ?
C11 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C12 C11 C10 112.38(16) . . ?
C12 C11 H11A 109.1 . . ?
C10 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
C10 C11 H11B 109.1 . . ?
H11A C11 H11B 107.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 119.03(16) . . ?
C14 C13 P1 117.84(13) . . ?
C18 C13 P1 123.12(13) . . ?
C13 C14 C15 120.43(19) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 120.02(19) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.17(19) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C18 120.4(2) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C13 119.98(19) . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C24 C19 C20 119.26(16) . . ?
C24 C19 P1 124.02(12) . . ?
C20 C19 P1 116.72(13) . . ?
C21 C20 C19 120.05(17) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 120.40(17) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 119.93(17) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 120.44(17) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 119.90(16) . . ?
C23 C24 H24 120.0 . . ?
C19 C24 H24 120.0 . . ?

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 N1 C1 C2 7.25(16) . . . . ?
C9 N1 C1 C2 176.82(13) . . . . ?
C8 N1 C1 P1 -110.24(13) . . . . ?
C9 N1 C1 P1 59.33(16) . . . . ?
O1 P1 C1 N1 43.92(13) . . . . ?
C13 P1 C1 N1 167.90(11) . . . . ?
C19 P1 C1 N1 -78.90(12) . . . . ?
O1 P1 C1 C2 -67.89(12) . . . . ?
C13 P1 C1 C2 56.09(12) . . . . ?
C19 P1 C1 C2 169.29(11) . . . . ?
N1 C1 C2 C7 -5.70(16) . . . . ?
P1 C1 C2 C7 110.53(13) . . . . ?
N1 C1 C2 C3 172.76(16) . . . . ?
P1 C1 C2 C3 -71.02(19) . . . . ?
C7 C2 C3 C4 -0.4(2) . . . . ?
C1 C2 C3 C4 -178.69(16) . . . . ?
C2 C3 C4 C5 -0.3(3) . . . . ?
C3 C4 C5 C6 0.6(3) . . . . ?
C4 C5 C6 C7 -0.3(3) . . . . ?
C5 C6 C7 C2 -0.3(3) . . . . ?
C5 C6 C7 C8 175.73(16) . . . . ?
C3 C2 C7 C6 0.7(2) . . . . ?
C1 C2 C7 C6 179.34(15) . . . . ?
C3 C2 C7 C8 -176.10(14) . . . . ?
C1 C2 C7 C8 2.55(17) . . . . ?
C1 N1 C8 O2 175.41(15) . . . . ?
C9 N1 C8 O2 5.7(2) . . . . ?
C1 N1 C8 C7 -5.97(17) . . . . ?
C9 N1 C8 C7 -175.72(13) . . . . ?
C6 C7 C8 O2 4.1(3) . . . . ?
C2 C7 C8 O2 -179.45(16) . . . . ?
C6 C7 C8 N1 -174.51(17) . . . . ?
C2 C7 C8 N1 1.98(17) . . . . ?
C8 N1 C9 C10 -121.24(17) . . . . ?
C1 N1 C9 C10 70.1(2) . . . . ?
N1 C9 C10 C11 -166.20(15) . . . . ?
C9 C10 C11 C12 -178.85(18) . . . . ?
O1 P1 C13 C14 3.34(17) . . . . ?
C19 P1 C13 C14 126.97(14) . . . . ?
C1 P1 C13 C14 -119.20(14) . . . . ?
O1 P1 C13 C18 -175.46(16) . . . . ?
C19 P1 C13 C18 -51.82(18) . . . . ?
C1 P1 C13 C18 62.01(18) . . . . ?
C18 C13 C14 C15 1.1(3) . . . . ?
P1 C13 C14 C15 -177.78(15) . . . . ?
C13 C14 C15 C16 -1.0(3) . . . . ?
C14 C15 C16 C17 0.0(3) . . . . ?
C15 C16 C17 C18 0.8(4) . . . . ?
C16 C17 C18 C13 -0.7(4) . . . . ?
C14 C13 C18 C17 -0.3(3) . . . . ?
P1 C13 C18 C17 178.53(17) . . . . ?
O1 P1 C19 C24 -163.57(14) . . . . ?
C13 P1 C19 C24 72.20(16) . . . . ?
C1 P1 C19 C24 -41.61(16) . . . . ?
O1 P1 C19 C20 17.01(16) . . . . ?
C13 P1 C19 C20 -107.23(14) . . . . ?
C1 P1 C19 C20 138.96(13) . . . . ?
C24 C19 C20 C21 1.1(3) . . . . ?
P1 C19 C20 C21 -179.47(14) . . . . ?
C19 C20 C21 C22 -0.7(3) . . . . ?
C20 C21 C22 C23 -0.3(3) . . . . ?
C21 C22 C23 C24 1.0(3) . . . . ?
C22 C23 C24 C19 -0.7(3) . . . . ?
C20 C19 C24 C23 -0.4(2) . . . . ?
P1 C19 C24 C23 -179.80(13) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C1 H1 O1 1.00 2.18 3.1622(18) 166.7 4_565 yes
C15 H15 O2 0.95 2.54 3.256(2) 132.1 2_646 yes
C22 H22 O2 0.95 2.32 3.248(2) 164.1 2_746 yes

_refine_diff_density_max         0.306
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.046

####################################################################### 
# 
# 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_22
_database_code_depnum_ccdc_archive 'CCDC 2100127'
loop_
_audit_author_name
_audit_author_address
'Franc Perdih'
;University of Ljubljana
Slovenia
;
_audit_update_record             
;
2021-07-29 deposited with the CCDC.	2021-09-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H48 Cl2 N2 O2 P2 Pt'
_chemical_formula_sum            'C48 H48 Cl2 N2 O2 P2 Pt'
_chemical_formula_weight         1012.81

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.3292(4)
_cell_length_b                   10.3205(3)
_cell_length_c                   18.9713(8)
_cell_angle_alpha                90
_cell_angle_beta                 106.630(4)
_cell_angle_gamma                90
_cell_volume                     2125.40(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    150.00(10)
_cell_measurement_reflns_used    7629
_cell_measurement_theta_max      30.1850
_cell_measurement_theta_min      3.1140

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_F_000             1016
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    3.544
_shelx_estimated_absorpt_T_min   0.331
_shelx_estimated_absorpt_T_max   0.765
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4933
_diffrn_reflns_number            17175
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.445
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4870
_reflns_number_gt                3958
_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_cell_refinement       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0210P)²+1.2008P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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         4870
_refine_ls_number_parameters     260
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_ref         0.0614
_refine_ls_wR_factor_gt          0.0559
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Pt1 Pt 0.500000 0.500000 0.500000 0.01788(6) Uani 1 2 d S . P . .
Cl1 Cl 0.63349(7) 0.67082(7) 0.53935(5) 0.03154(19) Uani 1 1 d . . . . .
P1 P 0.34877(7) 0.59379(7) 0.54254(5) 0.02111(17) Uani 1 1 d . . . . .
O1 O 0.0811(2) 0.8335(2) 0.34356(15) 0.0490(7) Uani 1 1 d . . . . .
N1 N 0.1844(2) 0.6601(2) 0.40942(15) 0.0287(6) Uani 1 1 d . . . . .
C1 C 0.1889(3) 0.5885(3) 0.47705(17) 0.0240(7) Uani 1 1 d . . . . .
H1 H 0.161885 0.496754 0.465328 0.029 Uiso 1 1 calc R U . . .
C2 C 0.0962(3) 0.6614(3) 0.50568(18) 0.0240(7) Uani 1 1 d . . . . .
C3 C 0.0566(3) 0.6428(3) 0.56741(19) 0.0290(7) Uani 1 1 d . . . . .
H3 H 0.086696 0.572417 0.599817 0.035 Uiso 1 1 calc R U . . .
C4 C -0.0287(3) 0.7298(3) 0.5811(2) 0.0342(8) Uani 1 1 d . . . . .
H4 H -0.055775 0.718983 0.623703 0.041 Uiso 1 1 calc R U . . .
C5 C -0.0746(3) 0.8322(3) 0.5333(2) 0.0385(9) Uani 1 1 d . . . . .
H5 H -0.132800 0.890274 0.543438 0.046 Uiso 1 1 calc R U . . .
C6 C -0.0360(3) 0.8497(3) 0.4713(2) 0.0359(8) Uani 1 1 d . . . . .
H6 H -0.067782 0.918262 0.437819 0.043 Uiso 1 1 calc R U . . .
C7 C 0.0499(3) 0.7647(3) 0.4593(2) 0.0294(7) Uani 1 1 d . . . . .
C8 C 0.1039(3) 0.7623(3) 0.3975(2) 0.0339(8) Uani 1 1 d . . . . .
C9 C 0.2366(3) 0.6160(3) 0.35204(19) 0.0343(8) Uani 1 1 d . . . . .
H9A H 0.315500 0.571025 0.374792 0.041 Uiso 1 1 calc R U . . .
H9B H 0.254003 0.691783 0.324636 0.041 Uiso 1 1 calc R U . . .
C10 C 0.1495(4) 0.5242(4) 0.2987(2) 0.0469(10) Uani 1 1 d . . . . .
H10A H 0.132248 0.448859 0.326462 0.056 Uiso 1 1 calc R U . . .
H10B H 0.070508 0.569467 0.276551 0.056 Uiso 1 1 calc R U . . .
C11 C 0.1999(5) 0.4755(4) 0.2372(2) 0.0561(12) Uani 1 1 d . . . . .
H11A H 0.280876 0.433964 0.259319 0.067 Uiso 1 1 calc R U . . .
H11B H 0.143564 0.408397 0.208768 0.067 Uiso 1 1 calc R U . . .
C12 C 0.2152(5) 0.5801(5) 0.1852(3) 0.0693(14) Uani 1 1 d . . . . .
H12A H 0.248202 0.542322 0.147329 0.104 Uiso 1 1 calc R U . . .
H12B H 0.272323 0.646153 0.212564 0.104 Uiso 1 1 calc R U . . .
H12C H 0.135098 0.620067 0.161742 0.104 Uiso 1 1 calc R U . . .
C13 C 0.3601(3) 0.7640(3) 0.56698(18) 0.0235(7) Uani 1 1 d . . . . .
C14 C 0.3785(3) 0.8510(3) 0.51519(19) 0.0285(7) Uani 1 1 d . . . . .
H14 H 0.394523 0.819613 0.471777 0.034 Uiso 1 1 calc R U . . .
C15 C 0.3735(3) 0.9828(3) 0.5264(2) 0.0320(8) Uani 1 1 d . . . . .
H15 H 0.383387 1.041545 0.489985 0.038 Uiso 1 1 calc R U . . .
C16 C 0.3544(3) 1.0292(3) 0.5902(2) 0.0394(9) Uani 1 1 d . . . . .
H16 H 0.352947 1.119992 0.598149 0.047 Uiso 1 1 calc R U . . .
C17 C 0.3372(3) 0.9442(3) 0.6430(2) 0.0401(9) Uani 1 1 d . . . . .
H17 H 0.324519 0.976645 0.687119 0.048 Uiso 1 1 calc R U . . .
C18 C 0.3387(3) 0.8112(3) 0.63112(19) 0.0318(8) Uani 1 1 d . . . . .
H18 H 0.325119 0.752680 0.666655 0.038 Uiso 1 1 calc R U . . .
C19 C 0.3398(3) 0.4996(2) 0.62144(18) 0.0215(6) Uani 1 1 d . . . . .
C20 C 0.4269(3) 0.5189(3) 0.6890(2) 0.0317(8) Uani 1 1 d . . . . .
H20 H 0.485134 0.587052 0.694351 0.038 Uiso 1 1 calc R U . . .
C21 C 0.4300(3) 0.4406(3) 0.7484(2) 0.0378(8) Uani 1 1 d . . . . .
H21 H 0.489418 0.455669 0.794354 0.045 Uiso 1 1 calc R U . . .
C22 C 0.3464(3) 0.3400(3) 0.7409(2) 0.0366(8) Uani 1 1 d . . . . .
H22 H 0.349296 0.285248 0.781602 0.044 Uiso 1 1 calc R U . . .
C23 C 0.2589(3) 0.3193(3) 0.67430(19) 0.0320(8) Uani 1 1 d . . . . .
H23 H 0.199838 0.252076 0.669588 0.038 Uiso 1 1 calc R U . . .
C24 C 0.2573(3) 0.3968(3) 0.61443(18) 0.0266(7) Uani 1 1 d . . . . .
H24 H 0.199397 0.379752 0.568128 0.032 Uiso 1 1 calc R U . . .


_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
Pt1 Cl1 2.3035(7) . ?
Pt1 Cl1 2.3035(7) 3_666 ?
Pt1 P1 2.3054(7) . ?
Pt1 P1 2.3054(7) 3_666 ?
P1 C19 1.812(3) . ?
P1 C13 1.812(3) . ?
P1 C1 1.881(3) . ?
O1 C8 1.225(4) . ?
N1 C8 1.370(4) . ?
N1 C9 1.453(4) . ?
N1 C1 1.469(4) . ?
C1 C2 1.514(4) . ?
C1 H1 1.0000 . ?
C2 C3 1.382(4) . ?
C2 C7 1.386(4) . ?
C3 C4 1.396(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.380(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.377(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.469(5) . ?
C9 C10 1.524(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.524(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.506(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.390(4) . ?
C13 C18 1.395(4) . ?
C14 C15 1.380(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.375(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.390(5) . ?
C19 C24 1.395(4) . ?
C20 C21 1.378(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.385(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?

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
Cl1 Pt1 Cl1 180.0 . 3_666 ?
Cl1 Pt1 P1 92.86(3) . . ?
Cl1 Pt1 P1 87.14(3) 3_666 . ?
Cl1 Pt1 P1 87.14(3) . 3_666 ?
Cl1 Pt1 P1 92.86(3) 3_666 3_666 ?
P1 Pt1 P1 180.0 . 3_666 ?
C19 P1 C13 108.99(14) . . ?
C19 P1 C1 105.01(14) . . ?
C13 P1 C1 100.47(13) . . ?
C19 P1 Pt1 106.67(10) . . ?
C13 P1 Pt1 119.43(10) . . ?
C1 P1 Pt1 115.33(10) . . ?
C8 N1 C9 120.8(3) . . ?
C8 N1 C1 112.8(3) . . ?
C9 N1 C1 125.2(3) . . ?
N1 C1 C2 102.0(2) . . ?
N1 C1 P1 110.4(2) . . ?
C2 C1 P1 112.6(2) . . ?
N1 C1 H1 110.5 . . ?
C2 C1 H1 110.5 . . ?
P1 C1 H1 110.5 . . ?
C3 C2 C7 119.3(3) . . ?
C3 C2 C1 131.4(3) . . ?
C7 C2 C1 109.2(3) . . ?
C2 C3 C4 118.5(3) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
C5 C4 C3 121.1(3) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C6 C5 C4 120.2(3) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C7 C6 C5 118.0(3) . . ?
C7 C6 H6 121.0 . . ?
C5 C6 H6 121.0 . . ?
C6 C7 C2 122.8(3) . . ?
C6 C7 C8 128.2(3) . . ?
C2 C7 C8 109.0(3) . . ?
O1 C8 N1 124.8(3) . . ?
O1 C8 C7 128.3(3) . . ?
N1 C8 C7 106.9(3) . . ?
N1 C9 C10 111.6(3) . . ?
N1 C9 H9A 109.3 . . ?
C10 C9 H9A 109.3 . . ?
N1 C9 H9B 109.3 . . ?
C10 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
C11 C10 C9 113.6(4) . . ?
C11 C10 H10A 108.8 . . ?
C9 C10 H10A 108.8 . . ?
C11 C10 H10B 108.8 . . ?
C9 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
C12 C11 C10 113.8(4) . . ?
C12 C11 H11A 108.8 . . ?
C10 C11 H11A 108.8 . . ?
C12 C11 H11B 108.8 . . ?
C10 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 119.3(3) . . ?
C14 C13 P1 117.4(2) . . ?
C18 C13 P1 123.0(2) . . ?
C15 C14 C13 120.5(3) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 120.2(3) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.4(3) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 119.8(4) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 119.9(3) . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C20 C19 C24 118.4(3) . . ?
C20 C19 P1 119.5(2) . . ?
C24 C19 P1 121.6(3) . . ?
C21 C20 C19 121.0(3) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C20 C21 C22 119.9(3) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 120.0(3) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 119.9(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C19 120.6(3) . . ?
C23 C24 H24 119.7 . . ?
C19 C24 H24 119.7 . . ?

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 N1 C1 C2 0.7(3) . . . . ?
C9 N1 C1 C2 -166.6(3) . . . . ?
C8 N1 C1 P1 -119.2(2) . . . . ?
C9 N1 C1 P1 73.5(3) . . . . ?
C19 P1 C1 N1 -178.9(2) . . . . ?
C13 P1 C1 N1 68.0(2) . . . . ?
Pt1 P1 C1 N1 -61.8(2) . . . . ?
C19 P1 C1 C2 67.7(2) . . . . ?
C13 P1 C1 C2 -45.3(2) . . . . ?
Pt1 P1 C1 C2 -175.15(17) . . . . ?
N1 C1 C2 C3 179.7(3) . . . . ?
P1 C1 C2 C3 -62.0(4) . . . . ?
N1 C1 C2 C7 -1.9(3) . . . . ?
P1 C1 C2 C7 116.4(3) . . . . ?
C7 C2 C3 C4 -0.4(4) . . . . ?
C1 C2 C3 C4 177.9(3) . . . . ?
C2 C3 C4 C5 0.9(5) . . . . ?
C3 C4 C5 C6 -0.2(5) . . . . ?
C4 C5 C6 C7 -1.1(5) . . . . ?
C5 C6 C7 C2 1.7(5) . . . . ?
C5 C6 C7 C8 179.3(3) . . . . ?
C3 C2 C7 C6 -1.0(5) . . . . ?
C1 C2 C7 C6 -179.6(3) . . . . ?
C3 C2 C7 C8 -179.0(3) . . . . ?
C1 C2 C7 C8 2.4(4) . . . . ?
C9 N1 C8 O1 -9.4(5) . . . . ?
C1 N1 C8 O1 -177.4(3) . . . . ?
C9 N1 C8 C7 168.6(3) . . . . ?
C1 N1 C8 C7 0.7(4) . . . . ?
C6 C7 C8 O1 -1.9(6) . . . . ?
C2 C7 C8 O1 176.0(4) . . . . ?
C6 C7 C8 N1 -179.8(3) . . . . ?
C2 C7 C8 N1 -1.9(4) . . . . ?
C8 N1 C9 C10 -83.3(4) . . . . ?
C1 N1 C9 C10 83.1(4) . . . . ?
N1 C9 C10 C11 179.8(3) . . . . ?
C9 C10 C11 C12 -65.6(5) . . . . ?
C19 P1 C13 C14 174.6(2) . . . . ?
C1 P1 C13 C14 -75.4(3) . . . . ?
Pt1 P1 C13 C14 51.8(3) . . . . ?
C19 P1 C13 C18 -12.2(3) . . . . ?
C1 P1 C13 C18 97.9(3) . . . . ?
Pt1 P1 C13 C18 -135.0(2) . . . . ?
C18 C13 C14 C15 -1.1(5) . . . . ?
P1 C13 C14 C15 172.4(3) . . . . ?
C13 C14 C15 C16 2.2(5) . . . . ?
C14 C15 C16 C17 -1.4(5) . . . . ?
C15 C16 C17 C18 -0.4(5) . . . . ?
C16 C17 C18 C13 1.4(5) . . . . ?
C14 C13 C18 C17 -0.7(5) . . . . ?
P1 C13 C18 C17 -173.8(3) . . . . ?
C13 P1 C19 C20 -51.3(3) . . . . ?
C1 P1 C19 C20 -158.2(2) . . . . ?
Pt1 P1 C19 C20 78.9(2) . . . . ?
C13 P1 C19 C24 136.8(2) . . . . ?
C1 P1 C19 C24 29.9(3) . . . . ?
Pt1 P1 C19 C24 -93.0(2) . . . . ?
C24 C19 C20 C21 -1.6(5) . . . . ?
P1 C19 C20 C21 -173.7(3) . . . . ?
C19 C20 C21 C22 0.8(5) . . . . ?
C20 C21 C22 C23 -0.9(5) . . . . ?
C21 C22 C23 C24 2.0(5) . . . . ?
C22 C23 C24 C19 -2.9(5) . . . . ?
C20 C19 C24 C23 2.7(5) . . . . ?
P1 C19 C24 C23 174.6(2) . . . . ?

_refine_diff_density_max         0.934
_refine_diff_density_min         -1.234
_refine_diff_density_rms         0.100

