#------------------------------------------------------------------------------
#$Date: 2019-11-23 09:06:18 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232642 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/52/7235267.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_7235267
loop_
_publ_author_name
'Liu, Song-Juan'
'Huang, Yuanbiao'
'Lin, Zu-Jin'
'Li, Xin-Fa'
'Cao, Rong'
_publ_section_title
;
 Syntheses, structures and photoluminescent properties of lanthanide
 coordination polymers based on pyridyl functionalized imidazole
 dicarboxylic acid
;
_journal_issue                   24
_journal_name_full               'RSC Advances'
_journal_page_first              9279
_journal_paper_doi               10.1039/c3ra41166d
_journal_volume                  3
_journal_year                    2013
_chemical_formula_sum            'C20 H25 Eu N6 O21'
_chemical_formula_weight         837.42
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                67.246(3)
_cell_angle_beta                 78.097(3)
_cell_angle_gamma                71.811(3)
_cell_formula_units_Z            2
_cell_length_a                   8.9815(3)
_cell_length_b                   14.0907(4)
_cell_length_c                   14.1747(5)
_cell_measurement_reflns_used    6100
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.1729
_cell_measurement_theta_min      2.3936
_cell_volume                     1564.11(10)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14952
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    2.103
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93068
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             836
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.307
_refine_diff_density_min         -1.000
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         6775
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0513P)²+1.8172P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0962
_refine_ls_wR_factor_ref         0.1037
_reflns_number_gt                5842
_reflns_number_total             6775
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ra41166d.cif
_cod_data_source_block           2-Eu
_cod_original_cell_volume        1564.11(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7235267
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu 0.28636(2) 0.952015(16) 0.568310(17) 0.01979(8) Uani 1 1 d D
O1 O 0.4991(4) 0.7718(2) 0.6232(3) 0.0330(8) Uani 1 1 d .
O2 O 0.5819(4) 0.9169(2) 0.5705(3) 0.0255(7) Uani 1 1 d .
O3 O 0.8789(4) 0.9410(2) 0.5675(2) 0.0229(7) Uani 1 1 d .
O4 O 1.1210(4) 0.8352(2) 0.5943(3) 0.0253(7) Uani 1 1 d .
O5 O 0.3713(5) 0.8755(3) 0.4336(3) 0.0408(10) Uani 1 1 d D
H5A H 0.397(8) 0.911(3) 0.375(2) 0.061 Uiso 1 1 d D
H5B H 0.390(8) 0.8114(12) 0.446(4) 0.061 Uiso 1 1 d D
O6 O 0.3143(4) 1.0719(3) 0.6417(4) 0.0485(11) Uani 1 1 d D
H6A H 0.243(3) 1.124(3) 0.644(5) 0.073 Uiso 1 1 d D
H6B H 0.400(2) 1.070(4) 0.654(5) 0.073 Uiso 1 1 d D
O7 O 0.0285(4) 1.0429(3) 0.6362(3) 0.0300(8) Uani 1 1 d D
H7A H 0.016(6) 1.042(5) 0.6957(17) 0.045 Uiso 1 1 d D
H7B H -0.041(5) 1.027(5) 0.620(4) 0.045 Uiso 1 1 d D
O8 O 0.2788(6) 0.8614(4) 0.7524(3) 0.0534(12) Uani 1 1 d D
H8A H 0.282(10) 0.899(4) 0.784(5) 0.080 Uiso 1 1 d D
H8B H 0.305(9) 0.7969(10) 0.782(5) 0.080 Uiso 1 1 d D
O9 O 0.5481(7) 0.6388(5) 0.1764(7) 0.110(3) Uani 1 1 d .
O10 O 0.6294(9) 0.7852(4) 0.1283(6) 0.128(3) Uani 1 1 d .
H10A H 0.7134 0.8017 0.1120 0.192 Uiso 1 1 calc R
O11 O 0.8841(13) 0.8346(6) 0.0786(7) 0.153(4) Uani 1 1 d .
O12 O 1.1375(12) 0.7545(7) 0.0658(6) 0.157(4) Uani 1 1 d .
N1 N 0.7931(4) 0.6407(3) 0.6223(3) 0.0247(8) Uani 1 1 d .
H1A H 0.7194 0.6097 0.6334 0.030 Uiso 1 1 calc R
N2 N 1.0316(4) 0.6628(3) 0.6017(3) 0.0260(9) Uani 1 1 d .
N5 N 1.1553(6) 0.2698(3) 0.6425(4) 0.0464(13) Uani 1 1 d .
N6 N 0.8537(7) 0.5190(5) 0.1431(5) 0.073(2) Uani 1 1 d .
H6 H 0.7874 0.4810 0.1599 0.088 Uiso 1 1 calc R
N7 N 1.0808(9) 0.5627(6) 0.1010(5) 0.081(2) Uani 1 1 d .
N8 N 1.2622(8) 0.1679(6) 0.1485(5) 0.098(3) Uani 1 1 d .
C1 C 0.6087(5) 0.8159(3) 0.6008(3) 0.0227(9) Uani 1 1 d .
C2 C 0.7724(5) 0.7468(3) 0.6059(4) 0.0227(9) Uani 1 1 d .
C3 C 0.9487(5) 0.5941(3) 0.6180(4) 0.0251(10) Uani 1 1 d .
C4 C 1.0174(6) 0.4811(4) 0.6287(4) 0.0289(11) Uani 1 1 d .
C5 C 0.9269(7) 0.4114(4) 0.6506(5) 0.0407(14) Uani 1 1 d .
H5 H 0.8178 0.4336 0.6615 0.049 Uiso 1 1 calc R
C6 C 1.0008(7) 0.3072(4) 0.6562(5) 0.0453(15) Uani 1 1 d .
H6E H 0.9381 0.2609 0.6705 0.054 Uiso 1 1 calc R
C7 C 1.2419(8) 0.3382(5) 0.6220(6) 0.0540(18) Uani 1 1 d .
H7 H 1.3507 0.3140 0.6117 0.065 Uiso 1 1 calc R
C8 C 1.1787(7) 0.4433(4) 0.6151(5) 0.0487(16) Uani 1 1 d .
H8 H 1.2440 0.4879 0.6014 0.058 Uiso 1 1 calc R
C9 C 0.9232(5) 0.7582(3) 0.5940(3) 0.0214(9) Uani 1 1 d .
C10 C 0.9779(5) 0.8521(3) 0.5834(3) 0.0205(9) Uani 1 1 d .
C11 C 0.6551(12) 0.6847(6) 0.1454(9) 0.097(4) Uani 1 1 d .
C12 C 0.8186(10) 0.6241(6) 0.1300(7) 0.080(3) Uani 1 1 d .
C13 C 1.0120(8) 0.4847(6) 0.1248(5) 0.068(2) Uani 1 1 d .
C14 C 1.0951(8) 0.3751(7) 0.1309(5) 0.068(2) Uani 1 1 d .
C15 C 1.0183(8) 0.2973(6) 0.1562(5) 0.0583(19) Uani 1 1 d .
H15 H 0.9091 0.3127 0.1684 0.070 Uiso 1 1 calc R
C16 C 1.1062(9) 0.1954(7) 0.1631(6) 0.075(3) Uani 1 1 d .
H16 H 1.0531 0.1432 0.1789 0.090 Uiso 1 1 calc R
C17 C 1.3346(9) 0.2433(9) 0.1243(8) 0.115(5) Uani 1 1 d .
H17 H 1.4440 0.2247 0.1139 0.138 Uiso 1 1 calc R
C18 C 1.2599(9) 0.3475(8) 0.1133(7) 0.107(4) Uani 1 1 d .
H18 H 1.3166 0.3982 0.0948 0.129 Uiso 1 1 calc R
C19 C 0.9625(12) 0.6494(8) 0.1018(6) 0.091(4) Uani 1 1 d .
C20 C 0.9971(18) 0.7526(10) 0.0829(8) 0.129(6) Uani 1 1 d .
O13 O 0.3424(6) 0.6713(5) 0.4849(8) 0.109(3) Uani 1 1 d D
H13A H 0.259(8) 0.672(9) 0.522(7) 0.163 Uiso 1 1 d D
H13B H 0.354(13) 0.645(10) 0.441(7) 0.163 Uiso 1 1 d D
O14 O 0.4263(8) 0.9595(5) 0.2308(4) 0.089(2) Uani 1 1 d D
H14A H 0.507(8) 0.938(7) 0.198(6) 0.134 Uiso 1 1 d D
H14B H 0.377(10) 1.021(3) 0.204(7) 0.134 Uiso 1 1 d D
O15 O 0.0388(8) 0.9633(6) 0.1661(5) 0.0913(19) Uani 1 1 d D
H15A H 0.109(9) 0.922(7) 0.143(7) 0.137 Uiso 1 1 d D
H15B H -0.031(9) 1.002(8) 0.128(6) 0.137 Uiso 1 1 d D
O16 O 0.3563(11) 0.6180(8) 0.8425(8) 0.059(3) Uani 0.50 1 d P
O16B O 0.3641(11) 0.6689(8) 0.8863(8) 0.060(3) Uani 0.50 1 d P
O17 O 0.3806(12) 0.5962(10) 0.0388(9) 0.077(3) Uani 0.50 1 d P
O17B O 0.4098(13) 0.4981(8) 0.1626(11) 0.091(4) Uani 0.50 1 d P
O18 O 0.3023(11) 0.8755(8) 0.0700(9) 0.067(3) Uani 0.50 1 d P
O18B O 0.4407(15) 0.9684(9) -0.0071(9) 0.085(4) Uani 0.50 1 d P
O19 O 0.2934(13) 0.9964(9) 0.8675(9) 0.072(3) Uani 0.50 1 d P
O19B O 0.2417(15) 0.9087(9) 0.9155(8) 0.078(3) Uani 0.50 1 d P
O20 O 0.3263(12) 0.7603(9) 0.2474(9) 0.072(3) Uani 0.50 1 d P
O21 O 0.3195(9) 0.6174(6) 0.6998(6) 0.045(2) Uani 0.50 1 d P
O21B O 0.5475(10) 0.5360(7) 0.6700(8) 0.058(3) Uani 0.50 1 d P
O22 O 0.5632(11) 0.5004(10) 0.5859(8) 0.081(4) Uani 0.50 1 d P
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'
Eu Eu -0.1578 3.6682 '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'
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
O3 Eu1 O6 105.84(14) 2_676 .
O3 Eu1 O8 142.49(14) 2_676 .
O6 Eu1 O8 72.76(18) . .
O3 Eu1 O5 72.43(12) 2_676 .
O6 Eu1 O5 147.95(15) . .
O8 Eu1 O5 128.50(15) . .
O3 Eu1 O4 80.11(10) 2_676 1_455
O6 Eu1 O4 139.32(13) . 1_455
O8 Eu1 O4 78.75(15) . 1_455
O5 Eu1 O4 72.66(13) . 1_455
O3 Eu1 O7 69.55(11) 2_676 .
O6 Eu1 O7 68.61(12) . .
O8 Eu1 O7 75.60(14) . .
O5 Eu1 O7 134.30(14) . .
O4 Eu1 O7 76.66(11) 1_455 .
O3 Eu1 O2 69.21(10) 2_676 2_676
O6 Eu1 O2 73.05(14) . 2_676
O8 Eu1 O2 139.18(16) . 2_676
O5 Eu1 O2 76.75(12) . 2_676
O4 Eu1 O2 141.85(11) 1_455 2_676
O7 Eu1 O2 111.25(11) . 2_676
O3 Eu1 O2 130.34(10) 2_676 .
O6 Eu1 O2 74.64(12) . .
O8 Eu1 O2 86.29(14) . .
O5 Eu1 O2 82.57(14) . .
O4 Eu1 O2 132.18(10) 1_455 .
O7 Eu1 O2 142.37(12) . .
O2 Eu1 O2 63.56(11) 2_676 .
O3 Eu1 O1 139.63(12) 2_676 .
O6 Eu1 O1 111.26(13) . .
O8 Eu1 O1 66.53(14) . .
O5 Eu1 O1 67.76(13) . .
O4 Eu1 O1 82.03(10) 1_455 .
O7 Eu1 O1 139.41(11) . .
O2 Eu1 O1 106.89(10) 2_676 .
O2 Eu1 O1 50.53(10) . .
O3 Eu1 C1 140.29(12) 2_676 .
O6 Eu1 C1 93.94(13) . .
O8 Eu1 C1 75.96(15) . .
O5 Eu1 C1 72.69(14) . .
O4 Eu1 C1 106.77(11) 1_455 .
O7 Eu1 C1 150.01(13) . .
O2 Eu1 C1 84.82(11) 2_676 .
O2 Eu1 C1 25.53(11) . .
O1 Eu1 C1 25.03(11) . .
O3 Eu1 Eu1 100.20(8) 2_676 2_676
O6 Eu1 Eu1 70.91(10) . 2_676
O8 Eu1 Eu1 113.77(13) . 2_676
O5 Eu1 Eu1 77.85(11) . 2_676
O4 Eu1 Eu1 148.97(8) 1_455 2_676
O7 Eu1 Eu1 132.93(8) . 2_676
O2 Eu1 Eu1 32.08(7) 2_676 2_676
O2 Eu1 Eu1 31.48(7) . 2_676
O1 Eu1 Eu1 78.02(7) . 2_676
C1 Eu1 Eu1 54.00(8) . 2_676
C1 O1 Eu1 93.1(3) . .
C1 O2 Eu1 133.0(3) . 2_676
C1 O2 Eu1 94.9(3) . .
Eu1 O2 Eu1 116.44(11) 2_676 .
C10 O3 Eu1 131.7(3) . 2_676
C10 O4 Eu1 133.1(3) . 1_655
Eu1 O5 H5A 121(4) . .
Eu1 O5 H5B 122(4) . .
H5A O5 H5B 117(2) . .
Eu1 O6 H6A 121.5(15) . .
Eu1 O6 H6B 121.2(15) . .
H6A O6 H6B 116(2) . .
Eu1 O7 H7A 120(4) . .
Eu1 O7 H7B 109(4) . .
H7A O7 H7B 115(2) . .
Eu1 O8 H8A 113(5) . .
Eu1 O8 H8B 126(5) . .
H8A O8 H8B 116(2) . .
C11 O10 H10A 109.5 . .
C3 N1 C2 108.2(4) . .
C3 N1 H1A 125.9 . .
C2 N1 H1A 125.9 . .
C3 N2 C9 105.6(4) . .
C6 N5 C7 116.6(5) . .
C13 N6 C12 107.8(6) . .
C13 N6 H6 126.1 . .
C12 N6 H6 126.1 . .
C13 N7 C19 105.4(7) . .
C17 N8 C16 117.2(9) . .
O1 C1 O2 121.3(4) . .
O1 C1 C2 117.6(4) . .
O2 C1 C2 121.1(4) . .
O1 C1 Eu1 61.8(2) . .
O2 C1 Eu1 59.6(2) . .
C2 C1 Eu1 173.8(3) . .
N1 C2 C9 104.6(4) . .
N1 C2 C1 117.6(4) . .
C9 C2 C1 137.7(4) . .
N2 C3 N1 111.4(4) . .
N2 C3 C4 124.6(4) . .
N1 C3 C4 124.1(4) . .
C5 C4 C8 118.0(5) . .
C5 C4 C3 122.6(5) . .
C8 C4 C3 119.4(5) . .
C4 C5 C6 118.9(5) . .
C4 C5 H5 120.6 . .
C6 C5 H5 120.6 . .
N5 C6 C5 123.9(6) . .
N5 C6 H6E 118.0 . .
C5 C6 H6E 118.0 . .
N5 C7 C8 123.6(6) . .
N5 C7 H7 118.2 . .
C8 C7 H7 118.2 . .
C4 C8 C7 119.0(6) . .
C4 C8 H8 120.5 . .
C7 C8 H8 120.5 . .
N2 C9 C2 110.3(4) . .
N2 C9 C10 119.3(4) . .
C2 C9 C10 130.2(4) . .
O3 C10 O4 124.5(4) . .
O3 C10 C9 118.5(4) . .
O4 C10 C9 117.0(4) . .
O9 C11 O10 122.2(10) . .
O9 C11 C12 119.9(7) . .
O10 C11 C12 117.8(9) . .
N6 C12 C19 104.7(8) . .
N6 C12 C11 121.0(7) . .
C19 C12 C11 134.2(9) . .
N7 C13 N6 111.3(8) . .
N7 C13 C14 124.8(7) . .
N6 C13 C14 124.0(6) . .
C15 C14 C18 118.3(9) . .
C15 C14 C13 122.4(6) . .
C18 C14 C13 119.2(8) . .
C14 C15 C16 118.7(7) . .
C14 C15 H15 120.7 . .
C16 C15 H15 120.7 . .
N8 C16 C15 123.5(9) . .
N8 C16 H16 118.2 . .
C15 C16 H16 118.2 . .
N8 C17 C18 124.5(8) . .
N8 C17 H17 117.8 . .
C18 C17 H17 117.8 . .
C17 C18 C14 117.8(9) . .
C17 C18 H18 121.1 . .
C14 C18 H18 121.1 . .
N7 C19 C12 110.9(7) . .
N7 C19 C20 120.4(10) . .
C12 C19 C20 128.5(12) . .
O12 C20 O11 123.2(11) . .
O12 C20 C19 117.2(15) . .
O11 C20 C19 119.5(11) . .
H13A O13 H13B 116(2) . .
H14A O14 H14B 116(2) . .
H15A O15 H15B 116(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O3 2.391(3) 2_676
Eu1 O6 2.393(4) .
Eu1 O8 2.419(4) .
Eu1 O5 2.423(4) .
Eu1 O4 2.425(3) 1_455
Eu1 O7 2.472(3) .
Eu1 O2 2.505(3) 2_676
Eu1 O2 2.548(3) .
Eu1 O1 2.600(3) .
Eu1 C1 2.945(4) .
Eu1 Eu1 4.2958(5) 2_676
O1 C1 1.248(5) .
O2 C1 1.274(5) .
O2 Eu1 2.505(3) 2_676
O3 C10 1.257(5) .
O3 Eu1 2.391(3) 2_676
O4 C10 1.263(5) .
O4 Eu1 2.425(3) 1_655
O5 H5A 0.818(10) .
O5 H5B 0.818(10) .
O6 H6A 0.818(10) .
O6 H6B 0.819(10) .
O7 H7A 0.823(10) .
O7 H7B 0.822(10) .
O8 H8A 0.818(10) .
O8 H8B 0.819(10) .
O9 C11 1.237(11) .
O10 C11 1.292(9) .
O10 H10A 0.8200 .
O11 C20 1.268(18) .
O12 C20 1.241(15) .
N1 C3 1.346(6) .
N1 C2 1.377(5) .
N1 H1A 0.8600 .
N2 C3 1.323(6) .
N2 C9 1.371(5) .
N5 C6 1.324(8) .
N5 C7 1.333(8) .
N6 C13 1.355(9) .
N6 C12 1.360(10) .
N6 H6 0.8600 .
N7 C13 1.325(9) .
N7 C19 1.348(13) .
N8 C17 1.314(13) .
N8 C16 1.327(10) .
C1 C2 1.487(6) .
C2 C9 1.382(6) .
C3 C4 1.475(6) .
C4 C5 1.372(7) .
C4 C8 1.379(8) .
C5 C6 1.388(7) .
C5 H5 0.9300 .
C6 H6E 0.9300 .
C7 C8 1.382(7) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.496(6) .
C11 C12 1.471(14) .
C12 C19 1.386(11) .
C13 C14 1.467(12) .
C14 C15 1.369(10) .
C14 C18 1.402(10) .
C15 C16 1.383(11) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.372(15) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.494(13) .
O13 H13A 0.820(10) .
O13 H13B 0.819(10) .
O14 H14A 0.818(10) .
O14 H14B 0.819(10) .
O15 H15A 0.820(10) .
O15 H15B 0.822(10) .
O16 O16B 1.139(14) .
O17 O17B 1.774(18) .
O18B O18B 1.67(3) 2_675
O19 O19B 1.336(14) .
O21B O22 1.429(15) .
