##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2006-10-25
_journal_date_accepted     2006-11-10
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue     12
_journal_page_first     o5675
_journal_page_last     o5676
_journal_paper_category     EO
_journal_coeditor_code     BI2094
_publ_contact_author_name     'Prof. Fu, Ai-Yun'
_publ_contact_author_address
;
Department of Chemistry
Dezhou University
Shandong Dezhou 253023
People's Republic of China
;
_publ_contact_author_email     'aiyunfu@yahoo.com.cn'
_publ_contact_author_fax     '0086-534-2300322'
_publ_contact_author_phone     '0086-534-2911952'
_publ_section_title
;
(3-Methyl-5-dibromomethylbenzyl)trisphenylphosphonium bromide
;
loop_
    _publ_author_name
    _publ_author_address
    'Fu, Ai-Yun'
;
Department of Chemistry
Dezhou University
Shandong Dezhou 253023
People's Republic of China
;
    'Li, Yu'
;
Department of Chemistry
Dezhou University
Shandong Dezhou 253023
People's Republic of China
;
    'Wang, Da-Qi'
;
Department of Chemistry
Liaocheng University
Shandong Liaocheng 252059
People's Republic of China
;
    'Zhou, Lian-Wen'
;
Department of Chemistry
Dezhou University
Shandong Dezhou 253023
People's Republic of China
;
    'Fu, Shi-Zhou'
;
Department of Chemistry
Liaocheng University
Shandong Liaocheng 252059
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(3-methyl-5-bibromomethylbenzyl)trisphenylphosphonium bromide
;
_chemical_name_common     ?
_chemical_formula_moiety     'C27 H24 Br2 P 1+, Br 1-'
_chemical_formula_sum     'C27 H24 Br3 P'
_chemical_formula_weight     619.16
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     12.307(3)
_cell_length_b     21.789(4)
_cell_length_c     19.849(3)
_cell_angle_alpha     90.00
_cell_angle_beta     91.387(2)
_cell_angle_gamma     90.00
_cell_volume     5321.2(17)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     3692
_cell_measurement_theta_min     2.142
_cell_measurement_theta_max     19.471
_cell_measurement_temperature     298(2)
_exptl_crystal_description     block
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.43
_exptl_crystal_size_mid     0.37
_exptl_crystal_size_min     0.29
_exptl_crystal_density_diffrn     1.546
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     2448
_exptl_absorpt_coefficient_mu     4.621
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.182
_exptl_absorpt_correction_T_max     0.262
_exptl_special_details     ?
_diffrn_ambient_temperature     298(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_reflns_number     27500
_diffrn_reflns_av_R_equivalents     0.0815
_diffrn_reflns_av_sigmaI/netI     0.1153
_diffrn_reflns_theta_min     1.90
_diffrn_reflns_theta_max     25.02
_diffrn_reflns_theta_full     25.02
_diffrn_measured_fraction_theta_max     0.988
_diffrn_measured_fraction_theta_full     0.988
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -21
_diffrn_reflns_limit_k_max     25
_diffrn_reflns_limit_l_min     -23
_diffrn_reflns_limit_l_max     22
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_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 > 2sigma(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.
;
_reflns_number_total     9287
_reflns_number_gt     4405
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1491
_refine_ls_R_factor_gt     0.0558
_refine_ls_wR_factor_gt     0.1137
_refine_ls_wR_factor_ref     0.1376
_refine_ls_goodness_of_fit_ref     1.009
_refine_ls_restrained_S_all     1.009
_refine_ls_number_reflns     9287
_refine_ls_number_parameters     559
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0549P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.121
_refine_diff_density_min     -0.838
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
_computing_data_collection     'SMART (Bruker, 1997)'
_computing_cell_refinement     'SAINT (Bruker, 1997)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Bruker, 1997)'
_computing_publication_material     'SHELXTL'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Br Br1 0.81894(6) 0.10816(3) 0.52280(3) 0.0499(2) Uani d . 1 . .
    Br Br2 0.68322(6) 0.55868(3) 0.59032(3) 0.0496(2) Uani d . 1 . .
    Br Br3 0.97719(11) 0.81187(6) 0.23683(7) 0.1364(5) Uani d . 1 . .
    Br Br4 0.75011(12) 0.76034(5) 0.28265(7) 0.1440(6) Uani d . 1 . .
    Br Br5 0.79682(12) 0.23349(5) 0.34302(6) 0.1416(6) Uani d . 1 . .
    Br Br6 0.54840(10) 0.21582(4) 0.37222(6) 0.1113(4) Uani d . 1 . .
    P P1 0.82123(13) 0.89736(7) 0.54084(8) 0.0340(4) Uani d . 1 . .
    P P2 0.67387(14) 0.48560(7) 0.37598(8) 0.0389(4) Uani d . 1 . .
    C C1 0.8427(5) 0.9352(3) 0.4056(3) 0.0345(15) Uani d . 1 . .
    C C2 0.8543(5) 0.8841(3) 0.3656(3) 0.0481(18) Uani d . 1 . .
    H H2 0.8876 0.8491 0.3832 0.058 Uiso calc R 1 . .
    C C3 0.8160(6) 0.8846(3) 0.2979(4) 0.055(2) Uani d . 1 . .
    C C4 0.7651(6) 0.9372(4) 0.2730(4) 0.064(2) Uani d . 1 . .
    H H4 0.7386 0.9376 0.2287 0.076 Uiso calc R 1 . .
    C C5 0.7530(6) 0.9883(3) 0.3120(4) 0.0529(19) Uani d . 1 . .
    C C6 0.7913(5) 0.9865(3) 0.3771(3) 0.0436(17) Uani d . 1 . .
    H H6 0.7829 1.0212 0.4038 0.052 Uiso calc R 1 . .
    C C7 0.8894(5) 0.9385(3) 0.4756(3) 0.0365(15) Uani d . 1 . .
    H H7A 0.8925 0.9814 0.4885 0.044 Uiso calc R 1 . .
    H H7B 0.9637 0.9238 0.4745 0.044 Uiso calc R 1 . .
    C C8 0.8282(8) 0.8314(4) 0.2521(4) 0.095(3) Uani d . 1 . .
    H H8 0.7956 0.8432 0.2084 0.114 Uiso calc R 1 . .
    C C9 0.7067(7) 1.0485(4) 0.2820(4) 0.094(3) Uani d . 1 . .
    H H9A 0.7042 1.0792 0.3166 0.141 Uiso calc R 1 . .
    H H9B 0.6347 1.0414 0.2640 0.141 Uiso calc R 1 . .
    H H9C 0.7525 1.0625 0.2466 0.141 Uiso calc R 1 . .
    C C10 0.6797(5) 0.9166(3) 0.5425(3) 0.0373(16) Uani d . 1 . .
    C C11 0.6098(5) 0.8976(3) 0.4904(3) 0.0466(17) Uani d . 1 . .
    H H11 0.6368 0.8775 0.4530 0.056 Uiso calc R 1 . .
    C C12 0.5006(6) 0.9090(3) 0.4949(4) 0.057(2) Uani d . 1 . .
    H H12 0.4530 0.8953 0.4611 0.069 Uiso calc R 1 . .
    C C13 0.4614(6) 0.9404(4) 0.5490(5) 0.066(2) Uani d . 1 . .
    H H13 0.3872 0.9475 0.5522 0.079 Uiso calc R 1 . .
    C C14 0.5311(7) 0.9610(3) 0.5978(4) 0.066(2) Uani d . 1 . .
    H H14 0.5036 0.9837 0.6332 0.079 Uiso calc R 1 . .
    C C15 0.6390(6) 0.9498(3) 0.5970(4) 0.0517(19) Uani d . 1 . .
    H H15 0.6851 0.9638 0.6315 0.062 Uiso calc R 1 . .
    C C16 0.8862(5) 0.9168(3) 0.6196(3) 0.0360(16) Uani d . 1 . .
    C C17 0.9121(5) 0.9771(3) 0.6343(3) 0.0424(17) Uani d . 1 . .
    H H17 0.8935 1.0079 0.6037 0.051 Uiso calc R 1 . .
    C C18 0.9653(6) 0.9918(3) 0.6936(4) 0.056(2) Uani d . 1 . .
    H H18 0.9849 1.0323 0.7024 0.067 Uiso calc R 1 . .
    C C19 0.9889(7) 0.9480(5) 0.7388(4) 0.072(2) Uani d . 1 . .
    H H19 1.0233 0.9584 0.7794 0.087 Uiso calc R 1 . .
    C C20 0.9627(8) 0.8870(4) 0.7257(4) 0.091(3) Uani d . 1 . .
    H H20 0.9798 0.8566 0.7572 0.109 Uiso calc R 1 . .
    C C21 0.9114(7) 0.8721(3) 0.6660(4) 0.067(2) Uani d . 1 . .
    H H21 0.8936 0.8315 0.6568 0.080 Uiso calc R 1 . .
    C C22 0.8332(5) 0.8161(3) 0.5302(3) 0.0405(16) Uani d . 1 . .
    C C23 0.7466(6) 0.7783(3) 0.5442(4) 0.063(2) Uani d . 1 . .
    H H23 0.6799 0.7952 0.5552 0.075 Uiso calc R 1 . .
    C C24 0.7592(7) 0.7151(3) 0.5419(4) 0.072(2) Uani d . 1 . .
    H H24 0.7015 0.6897 0.5529 0.086 Uiso calc R 1 . .
    C C25 0.8537(7) 0.6904(3) 0.5242(4) 0.067(2) Uani d . 1 . .
    H H25 0.8608 0.6480 0.5211 0.081 Uiso calc R 1 . .
    C C26 0.9394(6) 0.7273(3) 0.5106(4) 0.068(2) Uani d . 1 . .
    H H26 1.0051 0.7096 0.4991 0.082 Uiso calc R 1 . .
    C C27 0.9318(6) 0.7908(3) 0.5134(3) 0.0523(19) Uani d . 1 . .
    H H27 0.9912 0.8156 0.5042 0.063 Uiso calc R 1 . .
    C C28 0.6606(5) 0.3912(3) 0.4728(3) 0.0391(16) Uani d . 1 . .
    C C29 0.6516(5) 0.3393(3) 0.4321(3) 0.0459(18) Uani d . 1 . .
    H H29 0.6177 0.3415 0.3898 0.055 Uiso calc R 1 . .
    C C30 0.6950(6) 0.2834(3) 0.4565(3) 0.0472(18) Uani d . 1 . .
    C C31 0.7416(6) 0.2801(3) 0.5191(4) 0.0523(19) Uani d . 1 . .
    H H31 0.7694 0.2428 0.5345 0.063 Uiso calc R 1 . .
    C C32 0.7485(6) 0.3312(3) 0.5603(3) 0.0504(18) Uani d . 1 . .
    C C33 0.7104(5) 0.3864(3) 0.5358(3) 0.0431(17) Uani d . 1 . .
    H H33 0.7183 0.4214 0.5622 0.052 Uiso calc R 1 . .
    C C34 0.6121(5) 0.4523(3) 0.4482(3) 0.0373(16) Uani d . 1 . .
    H H34A 0.6172 0.4816 0.4850 0.045 Uiso calc R 1 . .
    H H34B 0.5355 0.4461 0.4377 0.045 Uiso calc R 1 . .
    C C35 0.6881(7) 0.2278(3) 0.4115(4) 0.067(2) Uani d . 1 . .
    H H35 0.7053 0.1917 0.4392 0.080 Uiso calc R 1 . .
    C C36 0.7990(8) 0.3274(4) 0.6306(4) 0.095(3) Uani d . 1 . .
    H H36A 0.8206 0.2858 0.6398 0.142 Uiso calc R 1 . .
    H H36B 0.7469 0.3402 0.6629 0.142 Uiso calc R 1 . .
    H H36C 0.8615 0.3537 0.6335 0.142 Uiso calc R 1 . .
    C C37 0.6132(5) 0.5591(3) 0.3607(3) 0.0438(17) Uani d . 1 . .
    C C38 0.5990(8) 0.5783(4) 0.2958(4) 0.092(3) Uani d . 1 . .
    H H38 0.6186 0.5525 0.2607 0.110 Uiso calc R 1 . .
    C C39 0.5562(11) 0.6352(6) 0.2813(6) 0.140(5) Uani d . 1 . .
    H H39 0.5491 0.6486 0.2370 0.168 Uiso calc R 1 . .
    C C40 0.5239(8) 0.6721(5) 0.3338(7) 0.108(4) Uani d . 1 . .
    H H40 0.4911 0.7097 0.3242 0.130 Uiso calc R 1 . .
    C C41 0.5392(7) 0.6544(4) 0.4001(6) 0.090(3) Uani d . 1 . .
    H H41 0.5197 0.6803 0.4350 0.108 Uiso calc R 1 . .
    C C42 0.5843(6) 0.5971(4) 0.4138(4) 0.067(2) Uani d . 1 . .
    H H42 0.5952 0.5842 0.4582 0.080 Uiso calc R 1 . .
    C C43 0.8169(5) 0.4937(3) 0.3915(3) 0.0441(17) Uani d . 1 . .
    C C44 0.8612(6) 0.5514(3) 0.4067(3) 0.0550(19) Uani d . 1 . .
    H H44 0.8161 0.5856 0.4077 0.066 Uiso calc R 1 . .
    C C45 0.9723(7) 0.5581(4) 0.4203(4) 0.067(2) Uani d . 1 . .
    H H45 1.0008 0.5963 0.4318 0.081 Uiso calc R 1 . .
    C C46 1.0384(7) 0.5084(5) 0.4166(4) 0.070(2) Uani d . 1 . .
    H H46 1.1129 0.5130 0.4238 0.083 Uiso calc R 1 . .
    C C47 0.9968(7) 0.4526(4) 0.4025(4) 0.071(2) Uani d . 1 . .
    H H47 1.0435 0.4191 0.4012 0.086 Uiso calc R 1 . .
    C C48 0.8856(6) 0.4432(3) 0.3896(4) 0.062(2) Uani d . 1 . .
    H H48 0.8585 0.4042 0.3800 0.074 Uiso calc R 1 . .
    C C49 0.6495(6) 0.4396(3) 0.3024(3) 0.0427(17) Uani d . 1 . .
    C C50 0.7316(7) 0.4282(4) 0.2572(4) 0.069(2) Uani d . 1 . .
    H H50 0.8009 0.4438 0.2654 0.083 Uiso calc R 1 . .
    C C51 0.7103(9) 0.3937(4) 0.2001(4) 0.089(3) Uani d . 1 . .
    H H51 0.7646 0.3873 0.1692 0.106 Uiso calc R 1 . .
    C C52 0.6091(9) 0.3687(4) 0.1890(4) 0.081(3) Uani d . 1 . .
    H H52 0.5955 0.3440 0.1516 0.097 Uiso calc R 1 . .
    C C53 0.5283(7) 0.3807(4) 0.2333(4) 0.077(2) Uani d . 1 . .
    H H53 0.4591 0.3647 0.2249 0.092 Uiso calc R 1 . .
    C C54 0.5471(6) 0.4156(3) 0.2900(3) 0.058(2) Uani d . 1 . .
    H H54 0.4913 0.4230 0.3197 0.069 Uiso calc R 1 . .
_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_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Br3 C8 . 1.914(10) ?
    Br4 C8 . 1.929(9) ?
    Br5 C35 . 1.933(7) ?
    Br6 C35 . 1.889(8) ?
    P1 C22 . 1.789(6) ?
    P1 C16 . 1.790(6) ?
    P1 C10 . 1.792(6) ?
    P1 C7 . 1.800(6) ?
    P2 C43 . 1.788(6) ?
    P2 C37 . 1.790(7) ?
    P2 C49 . 1.790(6) ?
    P2 C34 . 1.792(6) ?
    C1 C2 . 1.376(8) ?
    C1 C6 . 1.398(8) ?
    C1 C7 . 1.493(8) ?
    C2 C3 . 1.412(9) ?
    C2 H2 . 0.930 ?
    C3 C4 . 1.393(10) ?
    C3 C8 . 1.483(9) ?
    C4 C5 . 1.366(10) ?
    C4 H4 . 0.930 ?
    C5 C6 . 1.365(9) ?
    C5 C9 . 1.544(10) ?
    C6 H6 . 0.930 ?
    C7 H7A . 0.970 ?
    C7 H7B . 0.970 ?
    C8 H8 . 0.980 ?
    C9 H9A . 0.960 ?
    C9 H9B . 0.960 ?
    C9 H9C . 0.960 ?
    C10 C11 . 1.391(8) ?
    C10 C15 . 1.405(8) ?
    C11 C12 . 1.371(9) ?
    C11 H11 . 0.930 ?
    C12 C13 . 1.371(9) ?
    C12 H12 . 0.930 ?
    C13 C14 . 1.356(10) ?
    C13 H13 . 0.930 ?
    C14 C15 . 1.350(9) ?
    C14 H14 . 0.930 ?
    C15 H15 . 0.930 ?
    C16 C21 . 1.371(8) ?
    C16 C17 . 1.380(8) ?
    C17 C18 . 1.372(9) ?
    C17 H17 . 0.930 ?
    C18 C19 . 1.337(10) ?
    C18 H18 . 0.930 ?
    C19 C20 . 1.391(10) ?
    C19 H19 . 0.930 ?
    C20 C21 . 1.368(10) ?
    C20 H20 . 0.930 ?
    C21 H21 . 0.930 ?
    C22 C23 . 1.381(9) ?
    C22 C27 . 1.381(8) ?
    C23 C24 . 1.387(9) ?
    C23 H23 . 0.930 ?
    C24 C25 . 1.337(10) ?
    C24 H24 . 0.930 ?
    C25 C26 . 1.359(10) ?
    C25 H25 . 0.930 ?
    C26 C27 . 1.388(9) ?
    C26 H26 . 0.930 ?
    C27 H27 . 0.930 ?
    C28 C33 . 1.383(8) ?
    C28 C29 . 1.390(8) ?
    C28 C34 . 1.536(8) ?
    C29 C30 . 1.410(8) ?
    C29 H29 . 0.930 ?
    C30 C31 . 1.358(9) ?
    C30 C35 . 1.508(9) ?
    C31 C32 . 1.384(9) ?
    C31 H31 . 0.930 ?
    C32 C33 . 1.375(8) ?
    C32 C36 . 1.515(9) ?
    C33 H33 . 0.930 ?
    C34 H34A . 0.970 ?
    C34 H34B . 0.970 ?
    C35 H35 . 0.980 ?
    C36 H36A . 0.960 ?
    C36 H36B . 0.960 ?
    C36 H36C . 0.960 ?
    C37 C38 . 1.362(9) ?
    C37 C42 . 1.393(9) ?
    C38 C39 . 1.375(13) ?
    C38 H38 . 0.930 ?
    C39 C40 . 1.382(14) ?
    C39 H39 . 0.930 ?
    C40 C41 . 1.381(13) ?
    C40 H40 . 0.930 ?
    C41 C42 . 1.392(10) ?
    C41 H41 . 0.930 ?
    C42 H42 . 0.930 ?
    C43 C48 . 1.388(9) ?
    C43 C44 . 1.401(8) ?
    C44 C45 . 1.394(10) ?
    C44 H44 . 0.930 ?
    C45 C46 . 1.356(10) ?
    C45 H45 . 0.930 ?
    C46 C47 . 1.346(10) ?
    C46 H46 . 0.930 ?
    C47 C48 . 1.401(10) ?
    C47 H47 . 0.930 ?
    C48 H48 . 0.930 ?
    C49 C54 . 1.382(9) ?
    C49 C50 . 1.390(9) ?
    C50 C51 . 1.379(10) ?
    C50 H50 . 0.930 ?
    C51 C52 . 1.371(11) ?
    C51 H51 . 0.930 ?
    C52 C53 . 1.369(10) ?
    C52 H52 . 0.930 ?
    C53 C54 . 1.373(9) ?
    C53 H53 . 0.930 ?
    C54 H54 . 0.930 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C22 P1 C16 . . 107.6(3) ?
    C22 P1 C10 . . 108.4(3) ?
    C16 P1 C10 . . 110.0(3) ?
    C22 P1 C7 . . 111.5(3) ?
    C16 P1 C7 . . 107.7(3) ?
    C10 P1 C7 . . 111.5(3) ?
    C43 P2 C37 . . 110.3(3) ?
    C43 P2 C49 . . 109.9(3) ?
    C37 P2 C49 . . 107.5(3) ?
    C43 P2 C34 . . 109.7(3) ?
    C37 P2 C34 . . 108.3(3) ?
    C49 P2 C34 . . 111.1(3) ?
    C2 C1 C6 . . 117.7(6) ?
    C2 C1 C7 . . 122.3(6) ?
    C6 C1 C7 . . 119.9(5) ?
    C1 C2 C3 . . 120.4(6) ?
    C1 C2 H2 . . 119.8 ?
    C3 C2 H2 . . 119.8 ?
    C4 C3 C2 . . 118.7(6) ?
    C4 C3 C8 . . 118.5(8) ?
    C2 C3 C8 . . 122.8(8) ?
    C5 C4 C3 . . 121.6(7) ?
    C5 C4 H4 . . 119.2 ?
    C3 C4 H4 . . 119.2 ?
    C6 C5 C4 . . 118.2(7) ?
    C6 C5 C9 . . 120.4(7) ?
    C4 C5 C9 . . 121.2(7) ?
    C5 C6 C1 . . 123.3(6) ?
    C5 C6 H6 . . 118.3 ?
    C1 C6 H6 . . 118.4 ?
    C1 C7 P1 . . 118.0(4) ?
    C1 C7 H7A . . 107.8 ?
    P1 C7 H7A . . 107.8 ?
    C1 C7 H7B . . 107.8 ?
    P1 C7 H7B . . 107.8 ?
    H7A C7 H7B . . 107.1 ?
    C3 C8 Br3 . . 112.5(6) ?
    C3 C8 Br4 . . 112.0(5) ?
    Br3 C8 Br4 . . 110.9(5) ?
    C3 C8 H8 . . 107.0 ?
    Br3 C8 H8 . . 107.0 ?
    Br4 C8 H8 . . 107.0 ?
    C5 C9 H9A . . 109.4 ?
    C5 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    C5 C9 H9C . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    C11 C10 C15 . . 120.0(6) ?
    C11 C10 P1 . . 120.1(5) ?
    C15 C10 P1 . . 119.9(5) ?
    C12 C11 C10 . . 119.2(6) ?
    C12 C11 H11 . . 120.4 ?
    C10 C11 H11 . . 120.4 ?
    C11 C12 C13 . . 120.3(7) ?
    C11 C12 H12 . . 119.8 ?
    C13 C12 H12 . . 119.8 ?
    C14 C13 C12 . . 119.8(7) ?
    C14 C13 H13 . . 120.1 ?
    C12 C13 H13 . . 120.1 ?
    C15 C14 C13 . . 122.4(7) ?
    C15 C14 H14 . . 118.8 ?
    C13 C14 H14 . . 118.8 ?
    C14 C15 C10 . . 118.2(7) ?
    C14 C15 H15 . . 120.9 ?
    C10 C15 H15 . . 120.9 ?
    C21 C16 C17 . . 119.1(6) ?
    C21 C16 P1 . . 120.5(5) ?
    C17 C16 P1 . . 120.4(5) ?
    C18 C17 C16 . . 120.4(6) ?
    C18 C17 H17 . . 119.8 ?
    C16 C17 H17 . . 119.8 ?
    C19 C18 C17 . . 120.1(7) ?
    C19 C18 H18 . . 120.0 ?
    C17 C18 H18 . . 119.9 ?
    C18 C19 C20 . . 120.7(8) ?
    C18 C19 H19 . . 119.6 ?
    C20 C19 H19 . . 119.6 ?
    C21 C20 C19 . . 119.2(7) ?
    C21 C20 H20 . . 120.4 ?
    C19 C20 H20 . . 120.4 ?
    C20 C21 C16 . . 120.4(7) ?
    C20 C21 H21 . . 119.8 ?
    C16 C21 H21 . . 119.8 ?
    C23 C22 C27 . . 119.8(6) ?
    C23 C22 P1 . . 120.0(5) ?
    C27 C22 P1 . . 119.9(5) ?
    C22 C23 C24 . . 119.9(7) ?
    C22 C23 H23 . . 120.1 ?
    C24 C23 H23 . . 120.1 ?
    C25 C24 C23 . . 120.5(7) ?
    C25 C24 H24 . . 119.8 ?
    C23 C24 H24 . . 119.7 ?
    C24 C25 C26 . . 119.8(7) ?
    C24 C25 H25 . . 120.1 ?
    C26 C25 H25 . . 120.1 ?
    C25 C26 C27 . . 122.0(7) ?
    C25 C26 H26 . . 119.0 ?
    C27 C26 H26 . . 119.0 ?
    C22 C27 C26 . . 117.9(6) ?
    C22 C27 H27 . . 121.0 ?
    C26 C27 H27 . . 121.1 ?
    C33 C28 C29 . . 119.4(6) ?
    C33 C28 C34 . . 120.8(5) ?
    C29 C28 C34 . . 119.7(6) ?
    C28 C29 C30 . . 118.6(6) ?
    C28 C29 H29 . . 120.7 ?
    C30 C29 H29 . . 120.7 ?
    C31 C30 C29 . . 120.5(6) ?
    C31 C30 C35 . . 121.0(6) ?
    C29 C30 C35 . . 118.5(6) ?
    C30 C31 C32 . . 121.1(6) ?
    C30 C31 H31 . . 119.5 ?
    C32 C31 H31 . . 119.4 ?
    C33 C32 C31 . . 118.6(7) ?
    C33 C32 C36 . . 120.2(7) ?
    C31 C32 C36 . . 121.2(6) ?
    C32 C33 C28 . . 121.8(6) ?
    C32 C33 H33 . . 119.1 ?
    C28 C33 H33 . . 119.1 ?
    C28 C34 P2 . . 115.8(4) ?
    C28 C34 H34A . . 108.3 ?
    P2 C34 H34A . . 108.3 ?
    C28 C34 H34B . . 108.3 ?
    P2 C34 H34B . . 108.3 ?
    H34A C34 H34B . . 107.4 ?
    C30 C35 Br6 . . 113.1(5) ?
    C30 C35 Br5 . . 109.6(5) ?
    Br6 C35 Br5 . . 111.0(4) ?
    C30 C35 H35 . . 107.7 ?
    Br6 C35 H35 . . 107.7 ?
    Br5 C35 H35 . . 107.7 ?
    C32 C36 H36A . . 109.5 ?
    C32 C36 H36B . . 109.5 ?
    H36A C36 H36B . . 109.5 ?
    C32 C36 H36C . . 109.5 ?
    H36A C36 H36C . . 109.5 ?
    H36B C36 H36C . . 109.5 ?
    C38 C37 C42 . . 120.3(7) ?
    C38 C37 P2 . . 118.6(6) ?
    C42 C37 P2 . . 121.1(5) ?
    C37 C38 C39 . . 120.9(9) ?
    C37 C38 H38 . . 119.6 ?
    C39 C38 H38 . . 119.6 ?
    C38 C39 C40 . . 119.0(10) ?
    C38 C39 H39 . . 120.5 ?
    C40 C39 H39 . . 120.5 ?
    C41 C40 C39 . . 121.4(9) ?
    C41 C40 H40 . . 119.3 ?
    C39 C40 H40 . . 119.3 ?
    C40 C41 C42 . . 118.8(9) ?
    C40 C41 H41 . . 120.6 ?
    C42 C41 H41 . . 120.6 ?
    C41 C42 C37 . . 119.5(8) ?
    C41 C42 H42 . . 120.2 ?
    C37 C42 H42 . . 120.3 ?
    C48 C43 C44 . . 118.8(6) ?
    C48 C43 P2 . . 121.0(6) ?
    C44 C43 P2 . . 120.1(5) ?
    C45 C44 C43 . . 120.7(7) ?
    C45 C44 H44 . . 119.6 ?
    C43 C44 H44 . . 119.7 ?
    C46 C45 C44 . . 119.5(8) ?
    C46 C45 H45 . . 120.2 ?
    C44 C45 H45 . . 120.2 ?
    C47 C46 C45 . . 120.4(8) ?
    C47 C46 H46 . . 119.8 ?
    C45 C46 H46 . . 119.8 ?
    C46 C47 C48 . . 122.4(8) ?
    C46 C47 H47 . . 118.8 ?
    C48 C47 H47 . . 118.8 ?
    C43 C48 C47 . . 118.1(7) ?
    C43 C48 H48 . . 121.0 ?
    C47 C48 H48 . . 120.9 ?
    C54 C49 C50 . . 119.4(6) ?
    C54 C49 P2 . . 119.5(5) ?
    C50 C49 P2 . . 121.2(6) ?
    C51 C50 C49 . . 120.1(8) ?
    C51 C50 H50 . . 119.9 ?
    C49 C50 H50 . . 120.0 ?
    C52 C51 C50 . . 120.2(8) ?
    C52 C51 H51 . . 119.9 ?
    C50 C51 H51 . . 119.9 ?
    C53 C52 C51 . . 119.5(8) ?
    C53 C52 H52 . . 120.3 ?
    C51 C52 H52 . . 120.3 ?
    C52 C53 C54 . . 121.4(8) ?
    C52 C53 H53 . . 119.3 ?
    C54 C53 H53 . . 119.3 ?
    C53 C54 C49 . . 119.5(7) ?
    C53 C54 H54 . . 120.3 ?
    C49 C54 H54 . . 120.3 ?
