#------------------------------------------------------------------------------
#$Date: 2017-12-23 05:10:02 +0200 (Sat, 23 Dec 2017) $
#$Revision: 204505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/51/7045145.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_7045145
loop_
_publ_author_name
'Sun, Cai'
'Du, Ming-Xiu'
'Xu, Jian-Gang'
'Mao, Fei-Fei'
'Wang, Ming-Sheng'
'Guo, Guo-Cong'
_publ_section_title
;
 A nanowire array with two types of bromoplumbate chains and high
 anisotropic conductance
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C7DT03679E
_journal_year                    2018
_chemical_formula_moiety         '6(Br9 Pb3), Br19 Pb6.50, 12(C14 H18 N2)'
_chemical_formula_sum            'C168 H216 Br73 N24 Pb24.5'
_chemical_formula_weight         13481.22
_chemical_name_common            {(EV)12[Pb18Br54][Pb6.5Br19]}n
_chemical_name_systematic        {(EV)12[Pb18Br54][Pb6.5Br19]}n
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2017-09-29 deposited with the CCDC.
2017-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   47.1755(5)
_cell_length_b                   47.1755(5)
_cell_length_c                   11.6900(2)
_cell_measurement_reflns_used    9838
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     22530.9(5)
_computing_cell_refinement
'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_data_reduction
'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type
;
SuperNova, Dual, Cu at zero, Atlas
;
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0440
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_k_max       58
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            49280
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.682
_diffrn_reflns_theta_min         3.748
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    37.760
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.981
_exptl_crystal_density_meas      Fiber
_exptl_crystal_description       Prism
_exptl_crystal_F_000             17868
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         6.754
_refine_diff_density_min         -2.227
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         10136
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0521P)²+558.7437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1287
_refine_ls_wR_factor_ref         0.1385
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8145
_reflns_number_total             10136
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt03679e2.cif
_cod_data_source_block           148
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        22530.9(6)
_cod_original_formula_sum        'C168 H216 Br73 N24 Pb24.50'
_cod_database_code               7045145
_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.
;
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Pb11 Pb 0.80524(2) 0.66484(2) 0.33297(3) 0.03724(11) Uani 1 1 d . . .
Pb12 Pb 0.85368(2) 0.72175(2) 0.67304(3) 0.04113(11) Uani 1 1 d . . .
Pb13 Pb 0.79318(2) 0.70973(2) 0.99729(4) 0.04829(12) Uani 1 1 d . . .
Br11 Br 0.75161(3) 0.66143(3) 0.19491(10) 0.0513(3) Uani 1 1 d . . .
Br12 Br 0.76431(3) 0.60570(3) 0.47567(11) 0.0564(3) Uani 1 1 d . . .
Br13 Br 0.85521(3) 0.71662(3) 0.16296(10) 0.0483(3) Uani 1 1 d . . .
Br14 Br 0.86106(2) 0.67364(2) 0.49823(9) 0.0445(3) Uani 1 1 d . . .
Br15 Br 0.79908(3) 0.71031(3) 0.50055(10) 0.0478(2) Uani 1 1 d . . .
Br16 Br 0.90389(3) 0.77746(3) 0.56721(14) 0.0713(4) Uani 1 1 d . . .
Br17 Br 0.83200(3) 0.75883(3) 0.80832(10) 0.0540(3) Uani 1 1 d . . .
Br18 Br 0.79619(4) 0.76433(3) 1.10315(14) 0.0750(4) Uani 1 1 d . . .
Br19 Br 0.73524(3) 0.69100(3) 0.88227(13) 0.0672(3) Uani 1 1 d . . .
Pb21 Pb 1.01165(2) 0.95063(2) 0.33537(4) 0.04817(13) Uani 1 1 d . . .
Pb22 Pb 1.0000 1.0000 0.0000 0.0269(3) Uani 0.5 6 d S T P
Br21 Br 1.01787(4) 0.90192(4) 0.22264(15) 0.0801(4) Uani 1 1 d . . .
Br22 Br 1.07011(3) 0.97157(3) 0.47742(12) 0.0588(3) Uani 1 1 d . . .
Br23 Br 1.05568(3) 1.00774(3) 0.17417(12) 0.0600(3) Uani 1 1 d . . .
Br24 Br 1.0000 1.0000 0.5000 0.0437(5) Uani 1 6 d S T P
N11 N 0.7571(2) 0.7936(3) 0.7804(9) 0.059(2) Uani 1 1 d . . .
N12 N 0.7111(3) 0.7323(3) 0.2275(9) 0.060(2) Uani 1 1 d . . .
N21 N 0.9391(2) 0.8430(2) -0.1054(8) 0.054(2) Uani 1 1 d . . .
N22 N 0.8679(2) 0.8190(2) 0.4380(8) 0.055(2) Uani 1 1 d . . .
C1 C 0.7487(4) 0.7540(3) 0.6441(13) 0.071(4) Uani 1 1 d . . .
H1A H 0.7492 0.7351 0.6256 0.085 Uiso 1 1 calc R U .
C2 C 0.7575(4) 0.7668(3) 0.7513(13) 0.072(4) Uani 1 1 d . . .
H2A H 0.7640 0.7565 0.8047 0.086 Uiso 1 1 calc R U .
C3 C 0.7471(3) 0.8082(3) 0.7047(13) 0.071(4) Uani 1 1 d . . .
H3A H 0.7460 0.8265 0.7276 0.085 Uiso 1 1 calc R U .
C4 C 0.7386(3) 0.7971(3) 0.5958(11) 0.059(3) Uani 1 1 d . . .
H4A H 0.7326 0.8083 0.5444 0.071 Uiso 1 1 calc R U .
C5 C 0.7388(3) 0.7686(2) 0.5612(10) 0.048(2) Uani 1 1 d . . .
C6 C 0.7298(2) 0.7565(2) 0.4444(10) 0.047(2) Uani 1 1 d . . .
C7 C 0.7424(3) 0.7389(3) 0.3923(12) 0.060(3) Uani 1 1 d . . .
H7A H 0.7573 0.7351 0.4312 0.072 Uiso 1 1 calc R U .
C8 C 0.7330(3) 0.7271(3) 0.2833(12) 0.066(3) Uani 1 1 d . . .
H8A H 0.7417 0.7155 0.2481 0.080 Uiso 1 1 calc R U .
C9 C 0.6985(3) 0.7495(3) 0.2760(11) 0.061(3) Uani 1 1 d . . .
H9A H 0.6834 0.7529 0.2359 0.074 Uiso 1 1 calc R U .
C10 C 0.7077(3) 0.7618(3) 0.3822(11) 0.057(3) Uani 1 1 d . . .
H10A H 0.6991 0.7739 0.4144 0.068 Uiso 1 1 calc R U .
C11 C 0.7682(4) 0.8079(5) 0.8944(13) 0.091(5) Uani 1 1 d . . .
H11A H 0.7627 0.7906 0.9495 0.109 Uiso 1 1 calc R U .
H11B H 0.7568 0.8194 0.9167 0.109 Uiso 1 1 calc R U .
C12 C 0.8036(5) 0.8308(5) 0.8967(17) 0.120(7) Uani 1 1 d . . .
H12A H 0.8101 0.8397 0.9722 0.180 Uiso 1 1 calc R U .
H12B H 0.8150 0.8194 0.8760 0.180 Uiso 1 1 calc R U .
H12C H 0.8090 0.8482 0.8432 0.180 Uiso 1 1 calc R U .
C13 C 0.6999(4) 0.7182(4) 0.1097(12) 0.082(4) Uani 1 1 d . . .
H13A H 0.6891 0.7288 0.0733 0.098 Uiso 1 1 calc R U .
H13B H 0.7187 0.7225 0.0636 0.098 Uiso 1 1 calc R U .
C14 C 0.6770(4) 0.6826(4) 0.1157(13) 0.094(5) Uani 1 1 d . . .
H14A H 0.6702 0.6741 0.0399 0.141 Uiso 1 1 calc R U .
H14B H 0.6878 0.6721 0.1508 0.141 Uiso 1 1 calc R U .
H14C H 0.6582 0.6785 0.1604 0.141 Uiso 1 1 calc R U .
C21 C 0.8972(3) 0.8104(3) 0.0226(12) 0.080(5) Uani 1 1 d . . .
H21A H 0.8779 0.7909 0.0372 0.096 Uiso 1 1 calc R U .
C22 C 0.9117(3) 0.8153(4) -0.0824(12) 0.076(4) Uani 1 1 d . . .
H22A H 0.9022 0.7991 -0.1381 0.091 Uiso 1 1 calc R U .
C23 C 0.9522(3) 0.8664(3) -0.0264(12) 0.071(4) Uani 1 1 d . . .
H23A H 0.9709 0.8861 -0.0446 0.085 Uiso 1 1 calc R U .
C24 C 0.9391(3) 0.8623(2) 0.0812(11) 0.063(3) Uani 1 1 d . . .
H24A H 0.9493 0.8786 0.1361 0.075 Uiso 1 1 calc R U .
C25 C 0.9106(2) 0.8337(2) 0.1070(9) 0.044(2) Uani 1 1 d . . .
C26 C 0.8965(2) 0.8291(2) 0.2247(10) 0.047(2) Uani 1 1 d . . .
C27 C 0.9068(3) 0.8542(3) 0.3030(13) 0.074(4) Uani 1 1 d . . .
H27A H 0.9235 0.8751 0.2834 0.089 Uiso 1 1 calc R U .
C28 C 0.8927(3) 0.8487(3) 0.4099(12) 0.072(4) Uani 1 1 d . . .
H28A H 0.9005 0.8656 0.4629 0.087 Uiso 1 1 calc R U .
C29 C 0.8573(4) 0.7944(3) 0.3658(11) 0.073(4) Uani 1 1 d . . .
H29A H 0.8405 0.7739 0.3875 0.088 Uiso 1 1 calc R U .
C30 C 0.8708(3) 0.7987(2) 0.2593(10) 0.060(3) Uani 1 1 d . . .
H30A H 0.8627 0.7811 0.2090 0.072 Uiso 1 1 calc R U .
C31 C 0.8521(4) 0.8152(4) 0.5522(12) 0.075(4) Uani 1 1 d . . .
H31A H 0.8401 0.7921 0.5724 0.090 Uiso 1 1 calc R U .
H31B H 0.8690 0.8265 0.6095 0.090 Uiso 1 1 calc R U .
C32 C 0.8293(4) 0.8285(5) 0.5521(14) 0.095(5) Uani 1 1 d . . .
H32A H 0.8196 0.8257 0.6265 0.142 Uiso 1 1 calc R U .
H32B H 0.8412 0.8514 0.5334 0.142 Uiso 1 1 calc R U .
H32C H 0.8123 0.8171 0.4964 0.142 Uiso 1 1 calc R U .
C33 C 0.9546(4) 0.8466(4) -0.2189(11) 0.077(4) Uani 1 1 d . . .
H33A H 0.9683 0.8697 -0.2362 0.093 Uiso 1 1 calc R U .
H33B H 0.9377 0.8371 -0.2770 0.093 Uiso 1 1 calc R U .
C34 C 0.9753(4) 0.8300(5) -0.2234(15) 0.104(6) Uani 1 1 d . . .
H34A H 0.9849 0.8329 -0.2980 0.156 Uiso 1 1 calc R U .
H34B H 0.9924 0.8396 -0.1671 0.156 Uiso 1 1 calc R U .
H34C H 0.9617 0.8070 -0.2078 0.156 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -4.0753 8.5060 '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
Br11 Pb11 Br12 96.84(3) . .
Br11 Pb11 Br15 90.52(3) . .
Br12 Pb11 Br15 93.11(4) . .
Br11 Pb11 Br13 91.00(3) . 13_665
Br12 Pb11 Br13 84.93(3) . 13_665
Br15 Pb11 Br13 177.65(3) . 13_665
Br11 Pb11 Br13 89.18(3) . .
Br12 Pb11 Br13 166.23(4) . .
Br15 Pb11 Br13 99.23(3) . .
Br13 Pb11 Br13 82.59(3) 13_665 .
Br11 Pb11 Br14 173.55(3) . .
Br12 Pb11 Br14 83.50(3) . .
Br15 Pb11 Br14 83.03(3) . .
Br13 Pb11 Br14 95.44(3) 13_665 .
Br13 Pb11 Br14 91.91(3) . .
Br16 Pb12 Br17 93.60(4) . .
Br16 Pb12 Br12 88.98(4) . 13_666
Br17 Pb12 Br12 92.04(4) . 13_666
Br16 Pb12 Br15 96.63(4) . .
Br17 Pb12 Br15 86.94(3) . .
Br12 Pb12 Br15 174.35(3) 13_666 .
Br16 Pb12 Br14 92.44(4) . .
Br17 Pb12 Br14 166.70(3) . .
Br12 Pb12 Br14 99.91(3) 13_666 .
Br15 Pb12 Br14 80.60(3) . .
Br19 Pb13 Br18 95.53(5) . .
Br19 Pb13 Br17 90.72(4) . .
Br18 Pb13 Br17 83.49(4) . .
Br19 Pb13 Br11 88.11(4) . 1_556
Br18 Pb13 Br11 93.92(4) . 1_556
Br17 Pb13 Br11 177.04(3) . 1_556
Pb11 Br11 Pb13 98.97(3) . 1_554
Pb11 Br12 Pb12 101.77(3) . 13_666
Pb11 Br13 Pb11 97.41(3) 13_665 .
Pb11 Br14 Pb12 96.08(3) . .
Pb11 Br15 Pb12 100.29(3) . .
Pb12 Br17 Pb13 101.26(3) . .
Br21 Pb21 Br22 94.37(4) . .
Br21 Pb21 Br22 89.59(5) . 11_566
Br22 Pb21 Br22 88.331(13) . 11_566
Br21 Pb21 Br23 97.39(5) . .
Br22 Pb21 Br23 86.71(4) . .
Br22 Pb21 Br23 171.72(4) 11_566 .
Br23 Pb22 Br23 180.0 . 10_775
Br23 Pb22 Br23 96.23(3) . 11_565
Br23 Pb22 Br23 83.77(3) 10_775 11_565
Br23 Pb22 Br23 83.77(3) . 2_765
Br23 Pb22 Br23 96.23(3) 10_775 2_765
Br23 Pb22 Br23 180.00(3) 11_565 2_765
Br23 Pb22 Br23 96.23(3) . 12_655
Br23 Pb22 Br23 83.77(3) 10_775 12_655
Br23 Pb22 Br23 83.77(3) 11_565 12_655
Br23 Pb22 Br23 96.23(3) 2_765 12_655
Br23 Pb22 Br23 83.77(3) . 3_675
Br23 Pb22 Br23 96.23(3) 10_775 3_675
Br23 Pb22 Br23 96.23(3) 11_565 3_675
Br23 Pb22 Br23 83.77(3) 2_765 3_675
Br23 Pb22 Br23 180.0 12_655 3_675
Pb21 Br22 Pb21 102.36(4) . 12_656
Pb21 Br23 Pb22 97.66(3) . .
C2 N11 C3 120.0(12) . .
C2 N11 C11 120.1(12) . .
C3 N11 C11 119.9(12) . .
C8 N12 C9 121.0(11) . .
C8 N12 C13 119.8(11) . .
C9 N12 C13 119.2(11) . .
C23 N21 C22 119.8(11) . .
C23 N21 C33 121.9(11) . .
C22 N21 C33 118.3(11) . .
C29 N22 C28 120.8(11) . .
C29 N22 C31 121.4(11) . .
C28 N22 C31 117.8(11) . .
C2 C1 C5 121.6(12) . .
C2 C1 H1A 119.2 . .
C5 C1 H1A 119.2 . .
N11 C2 C1 120.8(12) . .
N11 C2 H2A 119.6 . .
C1 C2 H2A 119.6 . .
N11 C3 C4 122.2(11) . .
N11 C3 H3A 118.9 . .
C4 C3 H3A 118.9 . .
C3 C4 C5 119.6(11) . .
C3 C4 H4A 120.2 . .
C5 C4 H4A 120.2 . .
C1 C5 C4 115.8(11) . .
C1 C5 C6 124.0(10) . .
C4 C5 C6 120.2(10) . .
C7 C6 C10 117.6(11) . .
C7 C6 C5 121.4(10) . .
C10 C6 C5 121.1(9) . .
C8 C7 C6 120.4(11) . .
C8 C7 H7A 119.8 . .
C6 C7 H7A 119.8 . .
N12 C8 C7 119.9(11) . .
N12 C8 H8A 120.0 . .
C7 C8 H8A 120.0 . .
N12 C9 C10 120.3(11) . .
N12 C9 H9A 119.8 . .
C10 C9 H9A 119.8 . .
C9 C10 C6 120.8(10) . .
C9 C10 H10A 119.6 . .
C6 C10 H10A 119.6 . .
N11 C11 C12 111.6(14) . .
N11 C11 H11A 109.3 . .
C12 C11 H11A 109.3 . .
N11 C11 H11B 109.3 . .
C12 C11 H11B 109.3 . .
H11A C11 H11B 108.0 . .
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 N12 110.7(11) . .
C14 C13 H13A 109.5 . .
N12 C13 H13A 109.5 . .
C14 C13 H13B 109.5 . .
N12 C13 H13B 109.5 . .
H13A C13 H13B 108.1 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C22 C21 C25 121.2(11) . .
C22 C21 H21A 119.4 . .
C25 C21 H21A 119.4 . .
N21 C22 C21 120.4(12) . .
N21 C22 H22A 119.8 . .
C21 C22 H22A 119.8 . .
N21 C23 C24 122.0(10) . .
N21 C23 H23A 119.0 . .
C24 C23 H23A 119.0 . .
C23 C24 C25 119.3(11) . .
C23 C24 H24A 120.4 . .
C25 C24 H24A 120.4 . .
C21 C25 C24 117.3(11) . .
C21 C25 C26 123.4(10) . .
C24 C25 C26 119.3(10) . .
C27 C26 C30 116.3(11) . .
C27 C26 C25 122.9(10) . .
C30 C26 C25 120.7(9) . .
C28 C27 C26 120.5(11) . .
C28 C27 H27A 119.7 . .
C26 C27 H27A 119.7 . .
N22 C28 C27 120.4(11) . .
N22 C28 H28A 119.8 . .
C27 C28 H28A 119.8 . .
N22 C29 C30 120.8(11) . .
N22 C29 H29A 119.6 . .
C30 C29 H29A 119.6 . .
C29 C30 C26 121.1(11) . .
C29 C30 H30A 119.5 . .
C26 C30 H30A 119.5 . .
C32 C31 N22 111.6(12) . .
C32 C31 H31A 109.3 . .
N22 C31 H31A 109.3 . .
C32 C31 H31B 109.3 . .
N22 C31 H31B 109.3 . .
H31A C31 H31B 108.0 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N21 C33 C34 112.2(11) . .
N21 C33 H33A 109.2 . .
C34 C33 H33A 109.2 . .
N21 C33 H33B 109.2 . .
C34 C33 H33B 109.2 . .
H33A C33 H33B 107.9 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb11 Br11 2.9368(11) .
Pb11 Br12 2.9845(12) .
Pb11 Br15 3.0243(11) .
Pb11 Br13 3.0854(11) 13_665
Pb11 Br13 3.1170(12) .
Pb11 Br14 3.1219(10) .
Pb12 Br16 2.7969(13) .
Pb12 Br17 2.8978(12) .
Pb12 Br12 3.0609(12) 13_666
Pb12 Br15 3.0989(11) .
Pb12 Br14 3.1995(11) .
Pb13 Br19 2.7652(13) .
Pb13 Br18 2.7966(14) .
Pb13 Br17 3.0590(12) .
Pb13 Br11 3.1473(13) 1_556
Br11 Pb13 3.1473(13) 1_554
Br12 Pb12 3.0609(12) 13_666
Br13 Pb11 3.0854(11) 13_665
Pb21 Br21 2.7893(14) .
Pb21 Br22 2.9351(13) .
Pb21 Br22 3.0593(13) 11_566
Pb21 Br23 3.0867(13) .
Pb22 Br23 3.1967(13) .
Pb22 Br23 3.1967(13) 10_775
Pb22 Br23 3.1967(13) 11_565
Pb22 Br23 3.1967(13) 2_765
Pb22 Br23 3.1967(13) 12_655
Pb22 Br23 3.1967(13) 3_675
Br22 Pb21 3.0593(13) 12_656
N11 C2 1.321(16) .
N11 C3 1.342(17) .
N11 C11 1.468(18) .
N12 C8 1.343(16) .
N12 C9 1.345(15) .
N12 C13 1.505(18) .
N21 C23 1.329(16) .
N21 C22 1.329(16) .
N21 C33 1.483(16) .
N22 C29 1.314(16) .
N22 C28 1.343(16) .
N22 C31 1.493(16) .
C1 C2 1.36(2) .
C1 C5 1.397(16) .
C1 H1A 0.9300 .
C2 H2A 0.9300 .
C3 C4 1.358(19) .
C3 H3A 0.9300 .
C4 C5 1.409(15) .
C4 H4A 0.9300 .
C5 C6 1.459(16) .
C6 C7 1.379(14) .
C6 C10 1.393(15) .
C7 C8 1.373(18) .
C7 H7A 0.9300 .
C8 H8A 0.9300 .
C9 C10 1.347(18) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 C12 1.47(2) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.48(2) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C21 C22 1.367(18) .
C21 C25 1.374(15) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.372(18) .
C23 H23A 0.9300 .
C24 C25 1.379(14) .
C24 H24A 0.9300 .
C25 C26 1.497(16) .
C26 C27 1.379(16) .
C26 C30 1.397(14) .
C27 C28 1.378(19) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C29 C30 1.366(17) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
C31 C32 1.50(2) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.53(2) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
