#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:13:42 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257772 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/95/7059576.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_7059576
loop_
_publ_author_name
'Nisa, Zaib ul'
'Tashi, Lobzang'
'Sen, Charanjeet'
'Ashashi, Nargis Akhter'
'Sahoo, Subash Chandra'
'Sheikh, Haq Nawaz'
_publ_section_title
;
 Synthesis of eight isostructural 2D lanthanide coordination polymers
 assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid
 as linkers and exploration of luminescent Eu/Tb polymers as efficient and
 sensitive sensors for nitroaromatic compounds
;
_journal_issue                   19
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              8125
_journal_page_last               8137
_journal_paper_doi               10.1039/D0NJ01018A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C29 H21 N3 O9 Pb2'
_chemical_formula_sum            'C44 H40 N4 O4 Pb4'
_chemical_formula_weight         1517.56
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc236zw6
_audit_creation_date             2019-08-14
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-09-17 deposited with the CCDC.	2020-04-24 downloaded from the CCDC.
;
_cell_angle_alpha                94.2432(18)
_cell_angle_beta                 94.4958(16)
_cell_angle_gamma                98.3760(18)
_cell_formula_units_Z            2
_cell_length_a                   10.3027(2)
_cell_length_b                   13.2085(3)
_cell_length_c                   13.4634(3)
_cell_measurement_reflns_used    20923
_cell_measurement_temperature    100.02(10)
_cell_measurement_theta_max      30.2330
_cell_measurement_theta_min      1.9930
_cell_volume                     1800.23(7)
_computing_cell_refinement       'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.02(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.862
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -36.00  49.00   0.50   15.00    --   -9.20  73.00 -52.00  170
  2  ω     -1.00  79.00   0.50   15.00    --   10.30  73.00 -52.00  160
  3  ω    -13.00  14.00   0.50   15.00    --   -9.20 -57.00  60.00   54
  4  ω    -26.00  12.00   0.50   15.00    --   -9.20 -99.00  60.00   76
  5  ω    -36.00   8.00   0.50   15.00    --   -9.20 -57.00 -30.00   88
  6  ω    -22.00  18.00   0.50   15.00    --   -9.20 -99.00-120.00   80
  7  ω     20.00  67.00   0.50   15.00    --   10.30-130.00-134.52   94
  8  ω     26.00  72.00   0.50   15.00    --   10.30-140.00 -46.54   92
  9  ω    -22.00  23.00   0.50   15.00    --   -9.20 -99.00-180.00   90
 10  ω    -63.00  38.00   0.50   15.00    --   10.30 -77.00-120.00  202
 11  ω    -83.00 -35.00   0.50   15.00    --   -9.20 -57.00  60.00   96
 12  ω    -83.00 -57.00   0.50   15.00    --   -9.20 -57.00 -30.00   52
 13  ω    -22.00  50.00   0.50   15.00    --   10.30 -99.00 150.00  144
 14  ω     13.00  38.00   0.50   15.00    --   10.30 -73.00 178.00   50
 15  ω    -52.00 -24.00   0.50   15.00    --   10.30 -73.00 178.00   56
 16  ω    -83.00 -25.00   0.50   15.00    --   -9.20 -73.00 178.00  116
 17  ω    -37.00  65.00   0.50   15.00    --   -9.20  77.00   0.00  204
 18  ω    -53.00 -28.00   0.50   15.00    --   -9.20 106.00 -97.34   50
 19  ω    -57.00 -32.00   0.50   15.00    --   -9.20 113.00  -6.21   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0073283000
_diffrn_orient_matrix_UB_12      0.0500234000
_diffrn_orient_matrix_UB_13      0.0194892000
_diffrn_orient_matrix_UB_21      -0.0356103000
_diffrn_orient_matrix_UB_22      -0.0213644000
_diffrn_orient_matrix_UB_23      0.0384279000
_diffrn_orient_matrix_UB_31      0.0596709000
_diffrn_orient_matrix_UB_32      0.0031139000
_diffrn_orient_matrix_UB_33      0.0309400000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.862
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            47713
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.862
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.426
_diffrn_reflns_theta_min         2.006
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    18.702
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.23881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.34b (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.800
_exptl_crystal_description       prism
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         3.737
_refine_diff_density_min         -2.363
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         9401
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0543P)²+1.7612P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.0965
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7615
_reflns_number_total             9401
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj01018a2.cif
_cod_data_source_block           2
_cod_depositor_comments
;Adding full bibliography for 7059575--7059582.cif.

 Adding full bibliography for 7059575--7059582.cif.
;
_cod_original_cell_volume        1800.24(7)
_cod_database_code               7059576
_shelx_shelxl_version_number     2014/7
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C28) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.005
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13), C20(H20),
 C18(H18), C16(H16), C26(H26), C25(H25), C24(H24), C23(H23), C27(H27)
3.b Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C29(H29A,H29B,H29C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.711
_oxdiff_exptl_absorpt_empirical_full_min 0.557
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb -0.51305(2) 0.94237(2) -0.33631(2) 0.02325(3) Uani 1 1 d . . . . .
O2 O -0.2583(2) 0.9354(2) -0.34157(18) 0.0279(6) Uani 1 1 d . . . . .
O1 O -0.3536(2) 0.9118(2) -0.20105(18) 0.0305(6) Uani 1 1 d . . . . .
O3 O 0.2115(2) 0.8928(2) -0.35693(18) 0.0307(7) Uani 1 1 d . . . . .
O4 O 0.3309(2) 0.8976(3) -0.2119(2) 0.0452(9) Uani 1 1 d . . . . .
O5 O -0.9695(2) 0.2399(2) -0.4732(2) 0.0310(7) Uani 1 1 d . . . . .
O6 O -0.8923(2) 0.09389(19) -0.45588(19) 0.0251(6) Uani 1 1 d . . . . .
O7 O -0.4116(2) 0.0999(2) -0.45713(19) 0.0265(6) Uani 1 1 d . . . . .
O8 O -0.2732(2) 0.2423(2) -0.40596(19) 0.0270(6) Uani 1 1 d . . . . .
O9 O -0.4858(3) 1.1157(3) -0.2246(2) 0.0523(9) Uani 1 1 d . . . . .
N1 N 0.0552(3) 0.8486(3) 0.2666(2) 0.0278(7) Uani 1 1 d . . . . .
N2 N -0.5370(2) 0.7469(2) -0.3495(2) 0.0194(6) Uani 1 1 d . . . . .
N3 N -0.4929(6) 1.1972(5) -0.0735(4) 0.098(2) Uani 1 1 d . . . . .
C1 C -0.2555(3) 0.9167(3) -0.2513(3) 0.0236(8) Uani 1 1 d . . . . .
C2 C -0.1284(3) 0.8947(3) -0.2021(3) 0.0237(8) Uani 1 1 d . . . . .
C3 C -0.0190(3) 0.8927(3) -0.2565(3) 0.0248(8) Uani 1 1 d . . . . .
H3 H -0.0268 0.8980 -0.3252 0.030 Uiso 1 1 calc R . . . .
C4 C 0.0999(3) 0.8828(3) -0.2085(3) 0.0266(9) Uani 1 1 d . . . . .
C5 C 0.1108(3) 0.8689(3) -0.1069(3) 0.0253(8) Uani 1 1 d . . . . .
H5 H 0.1921 0.8617 -0.0755 0.030 Uiso 1 1 calc R . . . .
C6 C 0.0032(3) 0.8657(3) -0.0522(3) 0.0254(9) Uani 1 1 d . . . . .
C7 C -0.1168(3) 0.8809(3) -0.1002(3) 0.0238(8) Uani 1 1 d . . . . .
H7 H -0.1897 0.8819 -0.0637 0.029 Uiso 1 1 calc R . . . .
C8 C 0.2221(3) 0.8905(3) -0.2638(3) 0.0273(9) Uani 1 1 d . . . . .
C9 C 0.0175(3) 0.8541(3) 0.0577(3) 0.0249(8) Uani 1 1 d . . . . .
C10 C 0.1338(4) 0.8346(4) 0.1037(3) 0.0428(11) Uani 1 1 d . . . . .
H10 H 0.2028 0.8229 0.0659 0.051 Uiso 1 1 calc R . . . .
C11 C 0.1483(4) 0.8324(4) 0.2078(3) 0.0412(11) Uani 1 1 d . . . . .
H11 H 0.2280 0.8187 0.2371 0.049 Uiso 1 1 calc R . . . .
C12 C -0.0591(4) 0.8632(3) 0.2206(3) 0.0326(10) Uani 1 1 d . . . . .
H12 H -0.1277 0.8721 0.2597 0.039 Uiso 1 1 calc R . . . .
C13 C -0.0820(4) 0.8657(3) 0.1188(3) 0.0313(10) Uani 1 1 d . . . . .
H13 H -0.1645 0.8753 0.0912 0.038 Uiso 1 1 calc R . . . .
C14 C -0.8758(3) 0.1906(3) -0.4578(3) 0.0232(8) Uani 1 1 d . . . . .
C15 C -0.7384(3) 0.2488(3) -0.4366(3) 0.0247(8) Uani 1 1 d . . . . .
C20 C -0.7186(3) 0.3543(3) -0.4166(3) 0.0269(9) Uani 1 1 d . . . . .
H20 H -0.7912 0.3887 -0.4176 0.032 Uiso 1 1 calc R . . . .
C19 C -0.5923(3) 0.4107(3) -0.3948(3) 0.0266(9) Uani 1 1 d . . . . .
C18 C -0.4860(3) 0.3559(3) -0.3967(3) 0.0266(9) Uani 1 1 d . . . . .
H18 H -0.4006 0.3911 -0.3833 0.032 Uiso 1 1 calc R . . . .
C17 C -0.5050(3) 0.2507(3) -0.4179(3) 0.0218(8) Uani 1 1 d . . . . .
C16 C -0.6310(3) 0.1961(3) -0.4381(2) 0.0221(8) Uani 1 1 d . . . . .
H16 H -0.6436 0.1253 -0.4525 0.027 Uiso 1 1 calc R . . . .
C21 C -0.3879(3) 0.1948(3) -0.4262(3) 0.0233(8) Uani 1 1 d . . . . .
C22 C -0.5741(4) 0.5237(3) -0.3756(3) 0.0315(9) Uani 1 1 d . . . . .
C26 C -0.6757(4) 0.5786(3) -0.3857(3) 0.0363(10) Uani 1 1 d . . . . .
H26 H -0.7608 0.5444 -0.4030 0.044 Uiso 1 1 calc R . . . .
C25 C -0.6538(4) 0.6857(3) -0.3704(3) 0.0379(11) Uani 1 1 d . . . . .
H25 H -0.7280 0.7182 -0.3752 0.045 Uiso 1 1 calc R . . . .
C24 C -0.4355(4) 0.6884(3) -0.3409(4) 0.0477(13) Uani 1 1 d . . . . .
H24 H -0.3507 0.7239 -0.3256 0.057 Uiso 1 1 calc R . . . .
C23 C -0.4492(4) 0.5822(4) -0.3530(4) 0.0508(14) Uani 1 1 d . . . . .
H23 H -0.3752 0.5497 -0.3460 0.061 Uiso 1 1 calc R . . . .
C27 C -0.4969(6) 1.1199(7) -0.1393(5) 0.088(2) Uani 1 1 d . . . . .
H27 H -0.5112 1.0562 -0.1136 0.105 Uiso 1 1 calc R . . . .
C28 C -0.4644(17) 1.3066(13) -0.1231(13) 0.270(3) Uani 1 1 d . U . . .
H28A H -0.4374 1.2950 -0.1891 0.404 Uiso 1 1 calc GR . . . .
H28B H -0.3959 1.3517 -0.0824 0.404 Uiso 1 1 calc GR . . . .
H28C H -0.5433 1.3375 -0.1269 0.404 Uiso 1 1 calc GR . . . .
C29 C -0.4930(7) 1.2106(7) 0.0294(4) 0.095(3) Uani 1 1 d . . . . .
H29A H -0.5822 1.2026 0.0470 0.142 Uiso 1 1 calc GR . . . .
H29B H -0.4490 1.2782 0.0530 0.142 Uiso 1 1 calc GR . . . .
H29C H -0.4478 1.1603 0.0594 0.142 Uiso 1 1 calc GR . . . .
Pb2 Pb -1.14601(2) 0.09332(2) -0.45287(2) 0.01875(3) Uani 1 1 d . . . . .
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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/acs.inorgchem.9b02697 2019
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 Pb1 O2 51.47(8) . . ?
O1 Pb1 O4 81.99(8) . 1_455 ?
O1 Pb1 O9 78.78(10) . . ?
O1 Pb1 N2 77.83(9) . . ?
O4 Pb1 O2 132.91(8) 1_455 . ?
O4 Pb1 O9 79.14(11) 1_455 . ?
O4 Pb1 N2 77.79(10) 1_455 . ?
O9 Pb1 O2 96.13(10) . . ?
N2 Pb1 O2 84.85(8) . . ?
N2 Pb1 O9 149.06(10) . . ?
C1 O2 Pb1 87.67(19) . . ?
C1 O1 Pb1 96.7(2) . . ?
C8 O3 Pb2 169.4(2) . 2_464 ?
C8 O4 Pb1 101.3(2) . 1_655 ?
C14 O5 Pb2 95.2(2) . . ?
C14 O6 Pb2 89.60(19) . . ?
C21 O7 Pb2 90.12(18) . 1_655 ?
C21 O8 Pb2 98.2(2) . 1_655 ?
C27 O9 Pb1 122.9(5) . . ?
C11 N1 C12 115.8(3) . . ?
C11 N1 Pb2 113.4(2) . 2_465 ?
C12 N1 Pb2 127.4(2) . 2_465 ?
C25 N2 Pb1 123.0(2) . . ?
C25 N2 C24 110.4(3) . . ?
C24 N2 Pb1 126.5(2) . . ?
C27 N3 C28 111.6(8) . . ?
C27 N3 C29 135.9(8) . . ?
C29 N3 C28 112.0(8) . . ?
O2 C1 C2 117.7(3) . . ?
O1 C1 O2 124.1(3) . . ?
O1 C1 C2 118.1(3) . . ?
C3 C2 C1 120.4(3) . . ?
C3 C2 C7 119.4(3) . . ?
C7 C2 C1 120.2(3) . . ?
C4 C3 C2 119.7(3) . . ?
C3 C4 C5 120.4(3) . . ?
C3 C4 C8 120.6(3) . . ?
C5 C4 C8 118.9(3) . . ?
C6 C5 C4 121.1(3) . . ?
C5 C6 C7 118.4(3) . . ?
C5 C6 C9 120.5(3) . . ?
C7 C6 C9 121.0(3) . . ?
C2 C7 C6 120.7(3) . . ?
O3 C8 O4 123.7(3) . . ?
O3 C8 C4 119.3(3) . . ?
O4 C8 C4 117.0(3) . . ?
C10 C9 C6 120.8(3) . . ?
C10 C9 C13 116.4(3) . . ?
C13 C9 C6 122.8(3) . . ?
C9 C10 C11 119.8(4) . . ?
N1 C11 C10 123.7(4) . . ?
N1 C12 C13 124.1(4) . . ?
C12 C13 C9 120.0(3) . . ?
O5 C14 O6 122.8(3) . . ?
O5 C14 C15 118.8(3) . . ?
O6 C14 C15 118.4(3) . . ?
C20 C15 C14 120.2(3) . . ?
C20 C15 C16 120.0(3) . . ?
C16 C15 C14 119.8(3) . . ?
C15 C20 C19 121.8(3) . . ?
C20 C19 C22 120.6(3) . . ?
C18 C19 C20 117.0(3) . . ?
C18 C19 C22 122.3(3) . . ?
C17 C18 C19 121.4(3) . . ?
C18 C17 C16 120.6(3) . . ?
C18 C17 C21 120.0(3) . . ?
C16 C17 C21 119.3(3) . . ?
C17 C16 C15 119.2(3) . . ?
O7 C21 C17 117.1(3) . . ?
O8 C21 O7 122.6(3) . . ?
O8 C21 C17 120.2(3) . . ?
C26 C22 C19 122.6(3) . . ?
C26 C22 C23 115.3(4) . . ?
C23 C22 C19 122.0(4) . . ?
C22 C26 C25 120.9(4) . . ?
N2 C25 C26 127.1(4) . . ?
C23 C24 N2 126.0(4) . . ?
C24 C23 C22 120.2(4) . . ?
O9 C27 N3 131.7(8) . . ?
O3 Pb2 O7 77.52(8) 2_464 1_455 ?
O3 Pb2 N1 159.05(10) 2_464 2_465 ?
O5 Pb2 O3 83.97(8) . 2_464 ?
O5 Pb2 O6 51.15(8) . . ?
O5 Pb2 O7 126.46(8) . 1_455 ?
O5 Pb2 O8 81.68(8) . 1_455 ?
O5 Pb2 N1 78.12(9) . 2_465 ?
O6 Pb2 O3 100.10(8) . 2_464 ?
O6 Pb2 O7 177.03(8) . 1_455 ?
O6 Pb2 N1 76.99(9) . 2_465 ?
O8 Pb2 O3 90.08(8) 1_455 2_464 ?
O8 Pb2 O6 129.60(7) 1_455 . ?
O8 Pb2 O7 49.06(7) 1_455 1_455 ?
O8 Pb2 N1 76.75(9) 1_455 2_465 ?
N1 Pb2 O7 104.58(9) 2_465 1_455 ?
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 O2 2.645(2) . ?
Pb1 O1 2.452(2) . ?
Pb1 O4 2.456(3) 1_455 ?
Pb1 O9 2.611(3) . ?
Pb1 N2 2.549(3) . ?
O2 C1 1.257(4) . ?
O1 C1 1.256(4) . ?
O3 C8 1.253(4) . ?
O3 Pb2 2.623(2) 2_464 ?
O4 Pb1 2.456(3) 1_655 ?
O4 C8 1.261(4) . ?
O5 C14 1.254(4) . ?
O5 Pb2 2.503(2) . ?
O6 C14 1.266(4) . ?
O6 Pb2 2.617(2) . ?
O7 C21 1.274(4) . ?
O7 Pb2 2.746(2) 1_655 ?
O8 C21 1.255(4) . ?
O8 Pb2 2.586(3) 1_655 ?
O9 C27 1.160(7) . ?
N1 C11 1.322(5) . ?
N1 C12 1.334(5) . ?
N1 Pb2 2.624(3) 2_465 ?
N2 C25 1.345(5) . ?
N2 C24 1.390(5) . ?
N3 C27 1.295(9) . ?
N3 C28 1.635(17) . ?
N3 C29 1.383(8) . ?
C1 C2 1.497(5) . ?
C2 C3 1.394(5) . ?
C2 C7 1.396(5) . ?
C3 C4 1.368(5) . ?
C4 C5 1.391(5) . ?
C4 C8 1.507(5) . ?
C5 C6 1.375(5) . ?
C6 C7 1.397(5) . ?
C6 C9 1.497(5) . ?
C9 C10 1.372(5) . ?
C9 C13 1.382(5) . ?
C10 C11 1.400(6) . ?
C12 C13 1.375(5) . ?
C14 C15 1.505(4) . ?
C15 C20 1.382(5) . ?
C15 C16 1.390(5) . ?
C20 C19 1.401(5) . ?
C19 C18 1.399(5) . ?
C19 C22 1.477(5) . ?
C18 C17 1.380(5) . ?
C17 C16 1.387(4) . ?
C17 C21 1.510(5) . ?
C22 C26 1.362(5) . ?
C22 C23 1.400(5) . ?
C26 C25 1.396(6) . ?
C24 C23 1.385(6) . ?
Pb2 O3 2.623(2) 2_464 ?
Pb2 O7 2.746(2) 1_455 ?
Pb2 O8 2.586(3) 1_455 ?
Pb2 N1 2.624(3) 2_465 ?
