# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_2015JEBR18
_database_code_depnum_ccdc_archive 'CCDC 1480713'
_audit_update_record             
;
2016-05-18 deposited with the CCDC.
2016-07-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H20 P, Br3 Pb'
_chemical_formula_sum            'C24 H20 Br3 P Pb'
_chemical_formula_weight         786.29

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        P-1
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.402(2)
_cell_length_b                   12.192(3)
_cell_length_c                   14.520(4)
_cell_angle_alpha                69.065(9)
_cell_angle_beta                 86.790(12)
_cell_angle_gamma                73.933(9)
_cell_volume                     1174.7(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3193
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      27.5

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.223
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             732
_exptl_absorpt_coefficient_mu    12.361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4025
_exptl_absorpt_correction_T_max  0.5242
_exptl_absorpt_process_details   'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2012)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source_power             2.5
_diffrn_source_voltage           45.0
_diffrn_source_current           55.0
_diffrn_source                   'Sealed Tube'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_specimen_support Fiber
_diffrn_detector                 CCD
_diffrn_measurement_device       
;
AFC12 (Right): Kappa 3 circle
;
_diffrn_measurement_device_type  
;
Rigaku Saturn724+ (2x2 bin mode)
;
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10181
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         27.48
_reflns_number_total             5254
_reflns_number_gt                4549
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2012)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2012)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2012)
;
_computing_structure_solution    'Superflip (Palatinus et al., 2007)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0087P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5254
_refine_ls_number_parameters     265
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0236
_refine_ls_R_factor_gt           0.0204
_refine_ls_wR_factor_ref         0.0415
_refine_ls_wR_factor_gt          0.0410
_refine_ls_goodness_of_fit_ref   0.855
_refine_ls_restrained_S_all      0.855
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.0000 0.0000 0.0000 0.01427(4) Uani 1 2 d S . .
Br1 Br -0.27265(5) 0.00437(3) 0.16419(2) 0.01752(7) Uani 1 1 d . . .
Br2 Br 0.31979(5) -0.18365(3) 0.14247(2) 0.01795(7) Uani 1 1 d . . .
Br3 Br 0.15370(5) 0.19748(3) 0.00992(2) 0.01912(8) Uani 1 1 d . . .
P1 P 0.26851(13) 0.66217(7) -0.31125(6) 0.01375(17) Uani 1 1 d . . .
C8 C 0.2195(5) 0.4272(3) -0.2454(2) 0.0177(7) Uani 1 1 d . . .
H8 H 0.3164 0.4040 -0.1964 0.021 Uiso 1 1 calc R . .
C5 C 0.7212(5) 0.4934(3) -0.1203(2) 0.0200(7) Uani 1 1 d . . .
H5 H 0.8330 0.4287 -0.1117 0.024 Uiso 1 1 calc R . .
C10 C -0.0133(6) 0.3771(3) -0.3192(2) 0.0222(8) Uani 1 1 d . . .
H10 H -0.0745 0.3190 -0.3213 0.027 Uiso 1 1 calc R . .
C9 C 0.1298(6) 0.3429(3) -0.2494(2) 0.0217(8) Uani 1 1 d . . .
H9 H 0.1673 0.2613 -0.2039 0.026 Uiso 1 1 calc R . .
C12 C 0.0212(5) 0.5800(3) -0.3841(2) 0.0192(7) Uani 1 1 d . . .
H12 H -0.0158 0.6613 -0.4304 0.023 Uiso 1 1 calc R . .
C4 C 0.6884(6) 0.5608(3) -0.0577(2) 0.0208(8) Uani 1 1 d . . .
H4 H 0.7802 0.5430 -0.0074 0.025 Uiso 1 1 calc R . .
C23 C 0.6215(6) 0.8207(3) -0.5008(3) 0.0272(9) Uani 1 1 d . . .
H23 H 0.6964 0.8731 -0.5021 0.033 Uiso 1 1 calc R . .
C7 C 0.1667(5) 0.5458(3) -0.3136(2) 0.0153(7) Uani 1 1 d . . .
C11 C -0.0687(5) 0.4961(3) -0.3865(2) 0.0200(7) Uani 1 1 d . . .
H11 H -0.1684 0.5195 -0.4341 0.024 Uiso 1 1 calc R . .
C6 C 0.5898(5) 0.5221(3) -0.1943(2) 0.0179(7) Uani 1 1 d . . .
H6 H 0.6122 0.4781 -0.2380 0.021 Uiso 1 1 calc R . .
C1 C 0.4237(5) 0.6152(3) -0.2059(2) 0.0151(7) Uani 1 1 d . . .
C13 C 0.0764(5) 0.7906(3) -0.3138(2) 0.0154(7) Uani 1 1 d . . .
C14 C -0.0775(6) 0.7684(3) -0.2582(2) 0.0212(8) Uani 1 1 d . . .
H14 H -0.0825 0.6869 -0.2239 0.025 Uiso 1 1 calc R . .
C3 C 0.5245(6) 0.6526(3) -0.0684(2) 0.0201(8) Uani 1 1 d . . .
H3 H 0.5037 0.6975 -0.0253 0.024 Uiso 1 1 calc R . .
C2 C 0.3893(5) 0.6798(3) -0.1417(2) 0.0173(7) Uani 1 1 d . . .
H2 H 0.2747 0.7418 -0.1481 0.021 Uiso 1 1 calc R . .
C19 C 0.4062(5) 0.7051(3) -0.4173(2) 0.0174(7) Uani 1 1 d . . .
C15 C -0.2228(5) 0.8649(3) -0.2532(2) 0.0221(8) Uani 1 1 d . . .
H15 H -0.3273 0.8497 -0.2147 0.027 Uiso 1 1 calc R . .
C24 C 0.5188(5) 0.7802(3) -0.4191(3) 0.0212(8) Uani 1 1 d . . .
H24 H 0.5251 0.8038 -0.3640 0.025 Uiso 1 1 calc R . .
C20 C 0.4009(5) 0.6683(3) -0.4974(2) 0.0205(8) Uani 1 1 d . . .
H20 H 0.3253 0.6164 -0.4966 0.025 Uiso 1 1 calc R . .
C16 C -0.2168(6) 0.9838(3) -0.3040(3) 0.0265(9) Uani 1 1 d . . .
H16 H -0.3166 1.0502 -0.2999 0.032 Uiso 1 1 calc R . .
C18 C 0.0810(6) 0.9102(3) -0.3664(3) 0.0241(8) Uani 1 1 d . . .
H18 H 0.1840 0.9260 -0.4061 0.029 Uiso 1 1 calc R . .
C22 C 0.6150(6) 0.7853(3) -0.5799(3) 0.0296(9) Uani 1 1 d . . .
H22 H 0.6850 0.8137 -0.6360 0.035 Uiso 1 1 calc R . .
C21 C 0.5069(6) 0.7080(3) -0.5786(2) 0.0279(9) Uani 1 1 d . . .
H21 H 0.5053 0.6823 -0.6330 0.034 Uiso 1 1 calc R . .
C17 C -0.0658(6) 1.0055(3) -0.3603(3) 0.0308(9) Uani 1 1 d . . .
H17 H -0.0627 1.0872 -0.3954 0.037 Uiso 1 1 calc R . .
Pb2 Pb -0.5000 0.0000 0.0000 0.01523(5) Uani 1 2 d S . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
Pb1 Br3 2.9823(6) 2 ?
Pb1 Br3 2.9823(6) . ?
Pb1 Br2 3.0332(8) . ?
Pb1 Br2 3.0332(8) 2 ?
Pb1 Br1 3.0416(8) 2 ?
Pb1 Br1 3.0416(8) . ?
Br1 Pb2 3.0179(7) . ?
Br2 Pb2 3.0176(6) 1_655 ?
Br3 Pb2 3.0296(7) 1_655 ?
P1 C1 1.787(3) . ?
P1 C13 1.791(4) . ?
P1 C7 1.791(3) . ?
P1 C19 1.797(3) . ?
C8 C9 1.388(4) . ?
C8 C7 1.390(4) . ?
C8 H8 0.9500 . ?
C5 C6 1.372(5) . ?
C5 C4 1.399(5) . ?
C5 H5 0.9500 . ?
C10 C9 1.377(5) . ?
C10 C11 1.390(4) . ?
C10 H10 0.9500 . ?
C9 H9 0.9500 . ?
C12 C11 1.378(4) . ?
C12 C7 1.397(5) . ?
C12 H12 0.9500 . ?
C4 C3 1.377(5) . ?
C4 H4 0.9500 . ?
C23 C22 1.371(5) . ?
C23 C24 1.385(5) . ?
C23 H23 0.9500 . ?
C11 H11 0.9500 . ?
C6 C1 1.394(5) . ?
C6 H6 0.9500 . ?
C1 C2 1.393(4) . ?
C13 C14 1.390(5) . ?
C13 C18 1.393(4) . ?
C14 C15 1.377(5) . ?
C14 H14 0.9500 . ?
C3 C2 1.389(5) . ?
C3 H3 0.9500 . ?
C2 H2 0.9500 . ?
C19 C24 1.392(5) . ?
C19 C20 1.394(4) . ?
C15 C16 1.384(5) . ?
C15 H15 0.9500 . ?
C24 H24 0.9500 . ?
C20 C21 1.392(5) . ?
C20 H20 0.9500 . ?
C16 C17 1.376(6) . ?
C16 H16 0.9500 . ?
C18 C17 1.379(5) . ?
C18 H18 0.9500 . ?
C22 C21 1.390(6) . ?
C22 H22 0.9500 . ?
C21 H21 0.9500 . ?
C17 H17 0.9500 . ?
Pb2 Br2 3.0176(6) 1_455 ?
Pb2 Br2 3.0176(6) 2 ?
Pb2 Br1 3.0179(7) 2_455 ?
Pb2 Br3 3.0296(7) 2 ?
Pb2 Br3 3.0296(7) 1_455 ?

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
Br3 Pb1 Br3 180.000(15) 2 . ?
Br3 Pb1 Br2 91.82(2) 2 . ?
Br3 Pb1 Br2 88.18(2) . . ?
Br3 Pb1 Br2 88.18(2) 2 2 ?
Br3 Pb1 Br2 91.82(2) . 2 ?
Br2 Pb1 Br2 180.0 . 2 ?
Br3 Pb1 Br1 96.094(16) 2 2 ?
Br3 Pb1 Br1 83.906(16) . 2 ?
Br2 Pb1 Br1 87.11(2) . 2 ?
Br2 Pb1 Br1 92.89(2) 2 2 ?
Br3 Pb1 Br1 83.906(16) 2 . ?
Br3 Pb1 Br1 96.094(16) . . ?
Br2 Pb1 Br1 92.89(2) . . ?
Br2 Pb1 Br1 87.11(2) 2 . ?
Br1 Pb1 Br1 180.000(17) 2 . ?
Pb2 Br1 Pb1 75.29(2) . . ?
Pb2 Br2 Pb1 75.42(2) 1_655 . ?
Pb1 Br3 Pb2 75.99(2) . 1_655 ?
C1 P1 C13 110.53(15) . . ?
C1 P1 C7 113.41(14) . . ?
C13 P1 C7 106.54(16) . . ?
C1 P1 C19 106.10(16) . . ?
C13 P1 C19 109.74(15) . . ?
C7 P1 C19 110.54(15) . . ?
C9 C8 C7 119.6(3) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C6 C5 C4 119.1(3) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C9 C10 C11 120.3(3) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C9 C8 120.3(3) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C12 C7 120.1(3) . . ?
C11 C12 H12 120.0 . . ?
C7 C12 H12 120.0 . . ?
C3 C4 C5 120.6(3) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C22 C23 C24 120.0(3) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C8 C7 C12 119.9(3) . . ?
C8 C7 P1 122.7(3) . . ?
C12 C7 P1 117.3(2) . . ?
C12 C11 C10 119.8(3) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C5 C6 C1 120.7(3) . . ?
C5 C6 H6 119.7 . . ?
C1 C6 H6 119.7 . . ?
C2 C1 C6 120.0(3) . . ?
C2 C1 P1 120.2(3) . . ?
C6 C1 P1 119.5(2) . . ?
C14 C13 C18 120.0(3) . . ?
C14 C13 P1 118.1(2) . . ?
C18 C13 P1 121.9(3) . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C2 C1 119.2(3) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C24 C19 C20 119.6(3) . . ?
C24 C19 P1 117.8(3) . . ?
C20 C19 P1 122.6(3) . . ?
C14 C15 C16 120.2(4) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C23 C24 C19 120.4(3) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 H24 119.8 . . ?
C21 C20 C19 119.6(3) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C17 C16 C15 119.8(4) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C17 C18 C13 119.2(4) . . ?
C17 C18 H18 120.4 . . ?
C13 C18 H18 120.4 . . ?
C23 C22 C21 120.5(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C21 C20 119.9(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C16 C17 C18 121.0(3) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
Br2 Pb2 Br2 180.0 1_455 2 ?
Br2 Pb2 Br1 87.82(2) 1_455 2_455 ?
Br2 Pb2 Br1 92.18(2) 2 2_455 ?
Br2 Pb2 Br1 92.18(2) 1_455 . ?
Br2 Pb2 Br1 87.82(2) 2 . ?
Br1 Pb2 Br1 180.000(11) 2_455 . ?
Br2 Pb2 Br3 92.40(2) 1_455 2 ?
Br2 Pb2 Br3 87.60(2) 2 2 ?
Br1 Pb2 Br3 96.49(2) 2_455 2 ?
Br1 Pb2 Br3 83.51(2) . 2 ?
Br2 Pb2 Br3 87.60(2) 1_455 1_455 ?
Br2 Pb2 Br3 92.40(2) 2 1_455 ?
Br1 Pb2 Br3 83.51(2) 2_455 1_455 ?
Br1 Pb2 Br3 96.49(2) . 1_455 ?
Br3 Pb2 Br3 180.000(10) 2 1_455 ?

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
Br3 Pb1 Br1 Pb2 -46.247(11) 2 . . . ?
Br3 Pb1 Br1 Pb2 133.753(11) . . . . ?
Br2 Pb1 Br1 Pb2 -137.774(15) . . . . ?
Br2 Pb1 Br1 Pb2 42.226(15) 2 . . . ?
Br1 Pb1 Br1 Pb2 134(100) 2 . . . ?
Br3 Pb1 Br2 Pb2 138.213(13) 2 . . 1_655 ?
Br3 Pb1 Br2 Pb2 -41.787(13) . . . 1_655 ?
Br2 Pb1 Br2 Pb2 -70(100) 2 . . 1_655 ?
Br1 Pb1 Br2 Pb2 42.201(12) 2 . . 1_655 ?
Br1 Pb1 Br2 Pb2 -137.799(12) . . . 1_655 ?
Br3 Pb1 Br3 Pb2 -77(3) 2 . . 1_655 ?
Br2 Pb1 Br3 Pb2 41.456(15) . . . 1_655 ?
Br2 Pb1 Br3 Pb2 -138.544(15) 2 . . 1_655 ?
Br1 Pb1 Br3 Pb2 -45.832(14) 2 . . 1_655 ?
Br1 Pb1 Br3 Pb2 134.168(14) . . . 1_655 ?
C11 C10 C9 C8 0.3(5) . . . . ?
C7 C8 C9 C10 -1.4(5) . . . . ?
C6 C5 C4 C3 1.7(5) . . . . ?
C9 C8 C7 C12 1.5(5) . . . . ?
C9 C8 C7 P1 177.6(3) . . . . ?
C11 C12 C7 C8 -0.5(5) . . . . ?
C11 C12 C7 P1 -176.9(3) . . . . ?
C1 P1 C7 C8 -6.4(4) . . . . ?
C13 P1 C7 C8 -128.2(3) . . . . ?
C19 P1 C7 C8 112.6(3) . . . . ?
C1 P1 C7 C12 169.9(3) . . . . ?
C13 P1 C7 C12 48.1(3) . . . . ?
C19 P1 C7 C12 -71.1(3) . . . . ?
C7 C12 C11 C10 -0.5(5) . . . . ?
C9 C10 C11 C12 0.6(5) . . . . ?
C4 C5 C6 C1 -1.4(5) . . . . ?
C5 C6 C1 C2 -0.3(5) . . . . ?
C5 C6 C1 P1 172.7(2) . . . . ?
C13 P1 C1 C2 -2.3(3) . . . . ?
C7 P1 C1 C2 -121.8(3) . . . . ?
C19 P1 C1 C2 116.7(3) . . . . ?
C13 P1 C1 C6 -175.3(2) . . . . ?
C7 P1 C1 C6 65.1(3) . . . . ?
C19 P1 C1 C6 -56.4(3) . . . . ?
C1 P1 C13 C14 -83.7(3) . . . . ?
C7 P1 C13 C14 39.9(3) . . . . ?
C19 P1 C13 C14 159.6(3) . . . . ?
C1 P1 C13 C18 94.0(3) . . . . ?
C7 P1 C13 C18 -142.4(3) . . . . ?
C19 P1 C13 C18 -22.7(3) . . . . ?
C18 C13 C14 C15 -1.9(5) . . . . ?
P1 C13 C14 C15 175.9(3) . . . . ?
C5 C4 C3 C2 -0.2(5) . . . . ?
C4 C3 C2 C1 -1.6(5) . . . . ?
C6 C1 C2 C3 1.8(4) . . . . ?
P1 C1 C2 C3 -171.2(2) . . . . ?
C1 P1 C19 C24 -46.8(3) . . . . ?
C13 P1 C19 C24 72.7(3) . . . . ?
C7 P1 C19 C24 -170.1(3) . . . . ?
C1 P1 C19 C20 134.7(3) . . . . ?
C13 P1 C19 C20 -105.9(3) . . . . ?
C7 P1 C19 C20 11.3(3) . . . . ?
C13 C14 C15 C16 0.6(5) . . . . ?
C22 C23 C24 C19 -1.0(6) . . . . ?
C20 C19 C24 C23 1.5(5) . . . . ?
P1 C19 C24 C23 -177.1(3) . . . . ?
C24 C19 C20 C21 -0.5(5) . . . . ?
P1 C19 C20 C21 178.0(3) . . . . ?
C14 C15 C16 C17 0.5(5) . . . . ?
C14 C13 C18 C17 1.9(5) . . . . ?
P1 C13 C18 C17 -175.8(3) . . . . ?
C24 C23 C22 C21 -0.4(6) . . . . ?
C23 C22 C21 C20 1.4(6) . . . . ?
C19 C20 C21 C22 -0.9(5) . . . . ?
C15 C16 C17 C18 -0.5(6) . . . . ?
C13 C18 C17 C16 -0.7(6) . . . . ?
Pb1 Br1 Pb2 Br2 137.534(13) . . . 1_455 ?
Pb1 Br1 Pb2 Br2 -42.466(13) . . . 2 ?
Pb1 Br1 Pb2 Br1 -95(100) . . . 2_455 ?
Pb1 Br1 Pb2 Br3 45.365(14) . . . 2 ?
Pb1 Br1 Pb2 Br3 -134.635(14) . . . 1_455 ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         0.751
_refine_diff_density_min         -1.313
_refine_diff_density_rms         0.133
