#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:47:43 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228938 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/00/7230032.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_7230032
loop_
_publ_author_name
'Zeng, Cheng-Hui'
'Wu, Haiming'
'Luo, Zhixun'
'Yao, Jiannian'
_publ_section_title
;
 Weak interactions cause selective cocrystal formation of lanthanide
 nitrates and tetra-2-pyridinylpyrazine
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1123
_journal_paper_doi               10.1039/C7CE02098H
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C24 H16 N11 O15 Y'
_chemical_formula_weight         787.39
_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_Hall  '-P 1'
_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
_audit_update_record
;
2017-09-30 deposited with the CCDC.
2018-01-25 downloaded from the CCDC.
;
_cell_angle_alpha                111.04(3)
_cell_angle_beta                 91.13(3)
_cell_angle_gamma                101.65(3)
_cell_formula_units_Z            2
_cell_length_a                   10.569(2)
_cell_length_b                   12.133(2)
_cell_length_c                   12.816(3)
_cell_measurement_reflns_used    5101
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4837
_cell_measurement_theta_min      1.7113
_cell_volume                     1494.6(6)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega 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  0.0397
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19084
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    2.046
_exptl_absorpt_correction_T_max  0.8063
_exptl_absorpt_correction_T_min  0.7913
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.750
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.596
_refine_diff_density_min         -0.394
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6809
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0697P)²+1.6746P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1193
_refine_ls_wR_factor_ref         0.1232
_reflns_number_gt                6262
_reflns_number_total             6809
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce02098h2.cif
_cod_data_source_block           2-Y
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

 Adding full bibliography for 7230030--7230033.cif.
;
_cod_original_cell_volume        1494.6(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7230032
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
N9 N 0.7549(3) 0.4973(3) -0.2199(2) 0.0308(6) Uani 1 1 d .
N6 N 0.2910(3) 0.1194(3) 0.3434(3) 0.0376(7) Uani 1 1 d .
N7 N 0.2856(3) 0.2240(3) 0.5532(3) 0.0429(8) Uani 1 1 d .
Y2 Y 0.82879(2) 0.23961(2) 0.21635(2) 0.01806(9) Uani 1 1 d .
N5 N 0.9958(3) 0.1614(3) 0.0448(2) 0.0294(6) Uani 1 1 d .
N2 N 0.6486(3) 0.3052(3) 0.3820(2) 0.0336(6) Uani 1 1 d .
O10 O 0.9685(2) 0.4430(2) 0.3039(2) 0.0379(6) Uani 1 1 d .
O15 O 1.0670(3) 0.1218(2) -0.0263(2) 0.0393(6) Uani 1 1 d .
O2 O 0.7049(3) 0.0280(2) 0.1468(2) 0.0406(6) Uani 1 1 d .
O8 O 0.8089(2) 0.3630(2) 0.1059(2) 0.0333(5) Uani 1 1 d .
O7 O 0.6421(2) 0.2180(2) 0.0854(2) 0.0346(5) Uani 1 1 d .
O6 O 0.5716(3) 0.3306(3) 0.4516(2) 0.0512(7) Uani 1 1 d .
O14 O 1.0393(2) 0.2335(2) 0.1455(2) 0.0352(5) Uani 1 1 d .
O5 O 0.6882(3) 0.3691(2) 0.3252(2) 0.0399(6) Uani 1 1 d .
O11 O 0.9912(3) 0.3129(2) 0.3775(2) 0.0412(6) Uani 1 1 d .
O4 O 0.6951(3) 0.2103(2) 0.3616(2) 0.0392(6) Uani 1 1 d .
O13 O 0.8738(2) 0.1336(2) 0.0247(2) 0.0390(6) Uani 1 1 d .
N3 N 0.6985(3) 0.3014(3) 0.0529(2) 0.0333(6) Uani 1 1 d .
O12 O 1.1248(3) 0.4906(3) 0.4368(2) 0.0478(7) Uani 1 1 d .
O1 O 0.8801(3) 0.0723(2) 0.2564(2) 0.0414(6) Uani 1 1 d .
N4 N 1.0314(3) 0.4188(3) 0.3756(2) 0.0351(6) Uani 1 1 d .
O9 O 0.6502(3) 0.3220(3) -0.0234(3) 0.0545(8) Uani 1 1 d .
N1 N 0.7787(3) -0.0070(3) 0.2023(3) 0.0373(7) Uani 1 1 d .
O3 O 0.7540(3) -0.1078(3) 0.2047(3) 0.0544(8) Uani 1 1 d .
N8 N 0.5026(3) 0.0606(3) 0.6113(2) 0.0315(6) Uani 1 1 d .
C6 C 0.4391(3) 0.0326(3) 0.4241(3) 0.0310(7) Uani 1 1 d .
C5 C 0.3837(3) 0.0541(3) 0.3275(3) 0.0309(7) Uani 1 1 d .
C1 C 0.2354(4) 0.1385(4) 0.2579(3) 0.0420(9) Uani 1 1 d .
H1 H 0.1713 0.1829 0.2709 0.050 Uiso 1 1 calc R
C7 C 0.4415(3) 0.0963(3) 0.5417(3) 0.0301(7) Uani 1 1 d .
C4 C 0.4239(3) 0.0072(3) 0.2220(3) 0.0365(8) Uani 1 1 d .
H4 H 0.4873 -0.0380 0.2100 0.044 Uiso 1 1 calc R
C9 C 0.4307(4) 0.2736(3) 0.7153(3) 0.0412(8) Uani 1 1 d .
H9 H 0.5004 0.2595 0.7501 0.049 Uiso 1 1 calc R
C8 C 0.3847(4) 0.2024(3) 0.6044(3) 0.0363(8) Uani 1 1 d .
C3 C 0.3682(4) 0.0287(4) 0.1337(3) 0.0424(9) Uani 1 1 d .
H3 H 0.3958 -0.0007 0.0624 0.051 Uiso 1 1 calc R
C2 C 0.2725(4) 0.0931(3) 0.1517(4) 0.0437(9) Uani 1 1 d .
H2 H 0.2334 0.1058 0.0927 0.052 Uiso 1 1 calc R
C12 C 0.2291(5) 0.3152(4) 0.6095(4) 0.0527(11) Uani 1 1 d .
H12 H 0.1617 0.3300 0.5724 0.063 Uiso 1 1 calc R
C10 C 0.3709(5) 0.3660(3) 0.7731(4) 0.0501(11) Uani 1 1 d .
H10 H 0.3999 0.4141 0.8477 0.060 Uiso 1 1 calc R
C11 C 0.2682(5) 0.3871(4) 0.7206(4) 0.0542(12) Uani 1 1 d .
H11 H 0.2266 0.4482 0.7591 0.065 Uiso 1 1 calc R
C17 C 0.7901(3) 0.5466(3) -0.1089(3) 0.0276(6) Uani 1 1 d .
C18 C 0.9000(3) 0.5140(3) -0.0605(3) 0.0272(6) Uani 1 1 d .
C13 C 0.6605(3) 0.5294(3) -0.2671(3) 0.0346(7) Uani 1 1 d .
H13 H 0.6394 0.4947 -0.3445 0.042 Uiso 1 1 calc R
C15 C 0.6279(3) 0.6630(3) -0.0875(3) 0.0381(8) Uani 1 1 d .
H15 H 0.5836 0.7184 -0.0422 0.046 Uiso 1 1 calc R
C14 C 0.5950(3) 0.6123(3) -0.2027(3) 0.0382(8) Uani 1 1 d .
H14 H 0.5299 0.6341 -0.2356 0.046 Uiso 1 1 calc R
C16 C 0.7265(3) 0.6313(3) -0.0399(3) 0.0335(7) Uani 1 1 d .
H16 H 0.7500 0.6661 0.0372 0.040 Uiso 1 1 calc R
N10 N 0.8604(3) 0.3179(3) -0.3004(2) 0.0337(6) Uani 1 1 d .
C20 C 0.9257(3) 0.3079(3) -0.2146(3) 0.0301(7) Uani 1 1 d .
C21 C 0.9711(3) 0.2026(3) -0.2310(3) 0.0332(7) Uani 1 1 d .
H21 H 1.0150 0.1943 -0.1716 0.040 Uiso 1 1 calc R
C22 C 0.9500(4) 0.1117(3) -0.3356(3) 0.0399(8) Uani 1 1 d .
H22 H 0.9800 0.0416 -0.3474 0.048 Uiso 1 1 calc R
C23 C 0.8840(4) 0.1249(3) -0.4236(3) 0.0409(8) Uani 1 1 d .
H23 H 0.8697 0.0645 -0.4950 0.049 Uiso 1 1 calc R
C24 C 0.8400(4) 0.2296(3) -0.4027(3) 0.0412(8) Uani 1 1 d .
H24 H 0.7952 0.2392 -0.4609 0.049 Uiso 1 1 calc R
N11 N 0.9464(3) 0.5964(2) 0.0419(2) 0.0280(6) Uani 1 1 d .
C19 C 0.9563(3) 0.4121(3) -0.1043(3) 0.0280(6) 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'
Y Y -2.7962 3.5667 '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
C17 N9 C13 121.5(3) . .
C1 N6 C5 121.5(3) . .
C8 N7 C12 120.1(4) . .
O1 Y2 O14 78.69(9) . .
O1 Y2 O8 156.89(9) . .
O14 Y2 O8 84.76(9) . .
O1 Y2 O11 69.20(10) . .
O14 Y2 O11 72.36(9) . .
O8 Y2 O11 120.81(9) . .
O1 Y2 O13 85.99(10) . .
O14 Y2 O13 52.44(8) . .
O8 Y2 O13 71.10(9) . .
O11 Y2 O13 123.07(9) . .
O1 Y2 O4 72.41(9) . .
O14 Y2 O4 144.86(9) . .
O8 Y2 O4 128.13(8) . .
O11 Y2 O4 78.91(9) . .
O13 Y2 O4 141.54(9) . .
O1 Y2 O10 119.94(9) . .
O14 Y2 O10 72.28(9) . .
O8 Y2 O10 68.88(9) . .
O11 Y2 O10 52.38(9) . .
O13 Y2 O10 112.92(9) . .
O4 Y2 O10 105.44(9) . .
O1 Y2 O2 52.39(9) . .
O14 Y2 O2 105.80(9) . .
O8 Y2 O2 118.80(9) . .
O11 Y2 O2 119.78(9) . .
O13 Y2 O2 70.06(10) . .
O4 Y2 O2 71.55(9) . .
O10 Y2 O2 172.15(8) . .
O1 Y2 O5 123.95(9) . .
O14 Y2 O5 146.06(9) . .
O8 Y2 O5 78.29(9) . .
O11 Y2 O5 91.39(9) . .
O13 Y2 O5 142.23(9) . .
O4 Y2 O5 52.04(8) . .
O10 Y2 O5 74.22(9) . .
O2 Y2 O5 108.13(9) . .
O1 Y2 O7 123.62(9) . .
O14 Y2 O7 118.38(8) . .
O8 Y2 O7 52.23(8) . .
O11 Y2 O7 163.39(9) . .
O13 Y2 O7 71.17(9) . .
O4 Y2 O7 94.48(9) . .
O10 Y2 O7 116.43(9) . .
O2 Y2 O7 71.30(9) . .
O5 Y2 O7 72.74(9) . .
O1 Y2 N5 80.35(9) . .
O14 Y2 N5 26.48(8) . .
O8 Y2 N5 77.68(8) . .
O11 Y2 N5 97.71(9) . .
O13 Y2 N5 26.01(8) . .
O4 Y2 N5 151.97(8) . .
O10 Y2 N5 93.63(9) . .
O2 Y2 N5 86.80(9) . .
O5 Y2 N5 155.69(8) . .
O7 Y2 N5 95.16(8) . .
O1 Y2 N1 26.20(9) . .
O14 Y2 N1 93.59(9) . .
O8 Y2 N1 142.21(9) . .
O11 Y2 N1 94.14(10) . .
O13 Y2 N1 78.10(9) . .
O4 Y2 N1 68.44(9) . .
O10 Y2 N1 145.97(9) . .
O2 Y2 N1 26.26(9) . .
O5 Y2 N1 117.68(9) . .
O7 Y2 N1 97.57(9) . .
N5 Y2 N1 84.22(9) . .
O15 N5 O13 122.3(3) . .
O15 N5 O14 122.4(3) . .
O13 N5 O14 115.3(3) . .
O15 N5 Y2 175.8(2) . .
O13 N5 Y2 57.93(16) . .
O14 N5 Y2 57.50(15) . .
O6 N2 O5 123.0(3) . .
O6 N2 O4 121.6(3) . .
O5 N2 O4 115.4(3) . .
O6 N2 Y2 178.8(3) . .
O5 N2 Y2 58.12(16) . .
O4 N2 Y2 57.28(16) . .
N4 O10 Y2 95.7(2) . .
N1 O2 Y2 95.1(2) . .
N3 O8 Y2 96.62(18) . .
N3 O7 Y2 94.82(18) . .
N5 O14 Y2 96.02(18) . .
N2 O5 Y2 96.12(19) . .
N4 O11 Y2 96.27(19) . .
N2 O4 Y2 96.43(19) . .
N5 O13 Y2 96.06(18) . .
O9 N3 O7 122.3(3) . .
O9 N3 O8 122.0(3) . .
O7 N3 O8 115.8(3) . .
O9 N3 Y2 174.1(3) . .
O7 N3 Y2 58.99(16) . .
O8 N3 Y2 57.20(15) . .
N1 O1 Y2 96.9(2) . .
O12 N4 O10 122.4(3) . .
O12 N4 O11 122.2(3) . .
O10 N4 O11 115.4(3) . .
O12 N4 Y2 174.4(2) . .
O10 N4 Y2 58.15(16) . .
O11 N4 Y2 57.47(16) . .
O3 N1 O2 122.5(3) . .
O3 N1 O1 122.2(3) . .
O2 N1 O1 115.3(3) . .
O3 N1 Y2 174.8(3) . .
O2 N1 Y2 58.66(16) . .
O1 N1 Y2 56.89(16) . .
C7 N8 C6 123.1(3) . 2_656
N8 C6 C7 118.7(3) 2_656 .
N8 C6 C5 110.9(3) 2_656 .
C7 C6 C5 130.4(3) . .
N6 C5 C4 119.6(3) . .
N6 C5 C6 119.3(3) . .
C4 C5 C6 121.0(3) . .
N6 C1 C2 120.6(4) . .
N6 C1 H1 119.7 . .
C2 C1 H1 119.7 . .
N8 C7 C6 118.2(3) . .
N8 C7 C8 111.6(3) . .
C6 C7 C8 130.2(3) . .
C5 C4 C3 119.0(4) . .
C5 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
C10 C9 C8 118.8(4) . .
C10 C9 H9 120.6 . .
C8 C9 H9 120.6 . .
N7 C8 C9 120.8(3) . .
N7 C8 C7 119.0(3) . .
C9 C8 C7 120.1(3) . .
C2 C3 C4 120.1(4) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C1 C2 C3 119.2(4) . .
C1 C2 H2 120.4 . .
C3 C2 H2 120.4 . .
N7 C12 C11 121.8(4) . .
N7 C12 H12 119.1 . .
C11 C12 H12 119.1 . .
C11 C10 C9 120.3(4) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C12 C11 C10 118.2(4) . .
C12 C11 H11 120.9 . .
C10 C11 H11 120.9 . .
N9 C17 C16 119.6(3) . .
N9 C17 C18 120.0(3) . .
C16 C17 C18 120.4(3) . .
N11 C18 C19 118.5(3) . .
N11 C18 C17 111.1(3) . .
C19 C18 C17 130.4(3) . .
N9 C13 C14 121.0(3) . .
N9 C13 H13 119.5 . .
C14 C13 H13 119.5 . .
C16 C15 C14 120.0(3) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C13 C14 C15 118.7(3) . .
C13 C14 H14 120.7 . .
C15 C14 H14 120.7 . .
C15 C16 C17 119.2(3) . .
C15 C16 H16 120.4 . .
C17 C16 H16 120.4 . .
C24 N10 C20 121.0(3) . .
N10 C20 C21 119.7(3) . .
N10 C20 C19 119.6(3) . .
C21 C20 C19 120.6(3) . .
C22 C21 C20 119.4(3) . .
C22 C21 H21 120.3 . .
C20 C21 H21 120.3 . .
C21 C22 C23 119.8(3) . .
C21 C22 H22 120.1 . .
C23 C22 H22 120.1 . .
C24 C23 C22 118.5(3) . .
C24 C23 H23 120.8 . .
C22 C23 H23 120.8 . .
N10 C24 C23 121.5(3) . .
N10 C24 H24 119.2 . .
C23 C24 H24 119.2 . .
C19 N11 C18 123.3(3) 2_765 .
N11 C19 C18 118.3(3) 2_765 .
N11 C19 C20 111.5(3) 2_765 .
C18 C19 C20 130.2(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N9 C17 1.341(4) .
N9 C13 1.347(4) .
N6 C1 1.346(5) .
N6 C5 1.355(4) .
N7 C8 1.342(5) .
N7 C12 1.347(5) .
Y2 O1 2.421(3) .
Y2 O14 2.425(3) .
Y2 O8 2.434(2) .
Y2 O11 2.435(3) .
Y2 O13 2.437(3) .
Y2 O4 2.443(3) .
Y2 O10 2.450(3) .
Y2 O2 2.461(3) .
Y2 O5 2.464(3) .
Y2 O7 2.475(3) .
Y2 N5 2.860(3) .
Y2 N1 2.870(3) .
N5 O15 1.219(4) .
N5 O13 1.261(4) .
N5 O14 1.282(4) .
N2 O6 1.219(4) .
N2 O5 1.261(4) .
N2 O4 1.286(4) .
O10 N4 1.273(4) .
O2 N1 1.275(4) .
O8 N3 1.278(4) .
O7 N3 1.274(4) .
O11 N4 1.277(4) .
N3 O9 1.219(4) .
O12 N4 1.216(4) .
O1 N1 1.276(4) .
N1 O3 1.210(4) .
N8 C7 1.331(4) .
N8 C6 1.337(4) 2_656
C6 N8 1.337(4) 2_656
C6 C7 1.422(5) .
C6 C5 1.486(5) .
C5 C4 1.379(5) .
C1 C2 1.370(6) .
C1 H1 0.9300 .
C7 C8 1.501(5) .
C4 C3 1.394(5) .
C4 H4 0.9300 .
C9 C10 1.383(6) .
C9 C8 1.386(5) .
C9 H9 0.9300 .
C3 C2 1.373(6) .
C3 H3 0.9300 .
C2 H2 0.9300 .
C12 C11 1.377(7) .
C12 H12 0.9300 .
C10 C11 1.379(7) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C17 C16 1.393(5) .
C17 C18 1.492(4) .
C18 N11 1.340(4) .
C18 C19 1.417(4) .
C13 C14 1.371(5) .
C13 H13 0.9300 .
C15 C16 1.382(5) .
C15 C14 1.386(5) .
C15 H15 0.9300 .
C14 H14 0.9300 .
C16 H16 0.9300 .
N10 C24 1.342(5) .
N10 C20 1.342(4) .
C20 C21 1.402(5) .
C20 C19 1.494(5) .
C21 C22 1.375(5) .
C21 H21 0.9300 .
C22 C23 1.389(5) .
C22 H22 0.9300 .
C23 C24 1.378(5) .
C23 H23 0.9300 .
C24 H24 0.9300 .
N11 C19 1.334(4) 2_765
C19 N11 1.334(4) 2_765
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_4
O1 Y2 N5 O15 7(3) . .
O14 Y2 N5 O15 91(3) . .
O8 Y2 N5 O15 -166(3) . .
O11 Y2 N5 O15 74(3) . .
O13 Y2 N5 O15 -94(3) . .
O4 Y2 N5 O15 -7(3) . .
O10 Y2 N5 O15 126(3) . .
O2 Y2 N5 O15 -46(3) . .
O5 Y2 N5 O15 -175(3) . .
O7 Y2 N5 O15 -117(3) . .
N1 Y2 N5 O15 -20(3) . .
O1 Y2 N5 O13 100.8(2) . .
O14 Y2 N5 O13 -175.3(3) . .
O8 Y2 N5 O13 -72.0(2) . .
O11 Y2 N5 O13 168.02(19) . .
O4 Y2 N5 O13 87.2(3) . .
O10 Y2 N5 O13 -139.5(2) . .
O2 Y2 N5 O13 48.4(2) . .
O5 Y2 N5 O13 -80.9(3) . .
O7 Y2 N5 O13 -22.5(2) . .
N1 Y2 N5 O13 74.6(2) . .
O1 Y2 N5 O14 -83.99(19) . .
O8 Y2 N5 O14 103.23(19) . .
O11 Y2 N5 O14 -16.73(19) . .
O13 Y2 N5 O14 175.3(3) . .
O4 Y2 N5 O14 -97.6(2) . .
O10 Y2 N5 O14 35.78(19) . .
O2 Y2 N5 O14 -136.36(19) . .
O5 Y2 N5 O14 94.3(3) . .
O7 Y2 N5 O14 152.75(18) . .
N1 Y2 N5 O14 -110.14(19) . .
O1 Y2 N2 O6 -35(11) . .
O14 Y2 N2 O6 -116(11) . .
O8 Y2 N2 O6 136(11) . .
O11 Y2 N2 O6 -103(11) . .
O13 Y2 N2 O6 62(12) . .
O4 Y2 N2 O6 -28(11) . .
O10 Y2 N2 O6 -155(11) . .
O2 Y2 N2 O6 17(11) . .
O5 Y2 N2 O6 153(12) . .
O7 Y2 N2 O6 88(11) . .
N5 Y2 N2 O6 35(12) . .
N1 Y2 N2 O6 -9(11) . .
O1 Y2 N2 O5 172.0(2) . .
O14 Y2 N2 O5 90.9(3) . .
O8 Y2 N2 O5 -16.5(2) . .
O11 Y2 N2 O5 104.0(2) . .
O13 Y2 N2 O5 -90.9(3) . .
O4 Y2 N2 O5 179.2(3) . .
O10 Y2 N2 O5 51.8(2) . .
O2 Y2 N2 O5 -136.1(2) . .
O7 Y2 N2 O5 -64.9(2) . .
N5 Y2 N2 O5 -117.8(13) . .
N1 Y2 N2 O5 -162.1(2) . .
O1 Y2 N2 O4 -7.2(2) . .
O14 Y2 N2 O4 -88.3(3) . .
O8 Y2 N2 O4 164.31(19) . .
O11 Y2 N2 O4 -75.2(2) . .
O13 Y2 N2 O4 89.9(3) . .
O10 Y2 N2 O4 -127.45(19) . .
O2 Y2 N2 O4 44.70(19) . .
O5 Y2 N2 O4 -179.2(3) . .
O7 Y2 N2 O4 115.9(2) . .
N5 Y2 N2 O4 63.0(13) . .
N1 Y2 N2 O4 18.6(2) . .
O1 Y2 O10 N4 -12.8(2) . .
O14 Y2 O10 N4 -77.87(19) . .
O8 Y2 O10 N4 -169.1(2) . .
O11 Y2 O10 N4 3.19(18) . .
O13 Y2 O10 N4 -111.78(19) . .
O4 Y2 O10 N4 65.5(2) . .
O2 Y2 O10 N4 -0.9(7) . .
O5 Y2 O10 N4 107.7(2) . .
O7 Y2 O10 N4 168.65(18) . .
N5 Y2 O10 N4 -93.76(19) . .
N1 Y2 O10 N4 -8.7(3) . .
O1 Y2 O2 N1 3.15(18) . .
O14 Y2 O2 N1 64.8(2) . .
O8 Y2 O2 N1 157.49(18) . .
O11 Y2 O2 N1 -13.6(2) . .
O13 Y2 O2 N1 103.8(2) . .
O4 Y2 O2 N1 -78.50(19) . .
O10 Y2 O2 N1 -9.9(7) . .
O5 Y2 O2 N1 -116.16(19) . .
O7 Y2 O2 N1 180.0(2) . .
N5 Y2 O2 N1 83.42(19) . .
O1 Y2 O8 N3 83.8(3) . .
O14 Y2 O8 N3 128.07(19) . .
O11 Y2 O8 N3 -166.07(18) . .
O13 Y2 O8 N3 76.07(19) . .
O4 Y2 O8 N3 -65.5(2) . .
O10 Y2 O8 N3 -158.9(2) . .
O2 Y2 O8 N3 22.9(2) . .
O5 Y2 O8 N3 -81.50(19) . .
O7 Y2 O8 N3 -4.37(17) . .
N5 Y2 O8 N3 102.23(19) . .
N1 Y2 O8 N3 39.0(3) . .
O1 Y2 O7 N3 -147.53(18) . .
O14 Y2 O7 N3 -52.3(2) . .
O8 Y2 O7 N3 4.37(17) . .
O11 Y2 O7 N3 75.0(4) . .
O13 Y2 O7 N3 -75.91(19) . .
O4 Y2 O7 N3 140.66(19) . .
O10 Y2 O7 N3 31.0(2) . .
O2 Y2 O7 N3 -150.5(2) . .
O5 Y2 O7 N3 92.76(19) . .
N5 Y2 O7 N3 -65.70(19) . .
N1 Y2 O7 N3 -150.54(18) . .
O15 N5 O14 Y2 -175.1(3) . .
O13 N5 O14 Y2 4.5(3) . .
O1 Y2 O14 N5 91.03(19) . .
O8 Y2 O14 N5 -72.75(18) . .
O11 Y2 O14 N5 162.6(2) . .
O13 Y2 O14 N5 -2.63(17) . .
O4 Y2 O14 N5 125.96(19) . .
O10 Y2 O14 N5 -142.2(2) . .
O2 Y2 O14 N5 45.73(19) . .
O5 Y2 O14 N5 -132.67(19) . .
O7 Y2 O14 N5 -31.2(2) . .
N1 Y2 O14 N5 69.38(19) . .
O6 N2 O5 Y2 -179.3(3) . .
O4 N2 O5 Y2 0.7(3) . .
O1 Y2 O5 N2 -9.5(2) . .
O14 Y2 O5 N2 -134.75(19) . .
O8 Y2 O5 N2 163.6(2) . .
O11 Y2 O5 N2 -75.2(2) . .
O13 Y2 O5 N2 127.48(19) . .
O4 Y2 O5 N2 -0.45(17) . .
O10 Y2 O5 N2 -125.3(2) . .
O2 Y2 O5 N2 46.9(2) . .
O7 Y2 O5 N2 109.8(2) . .
N5 Y2 O5 N2 172.47(18) . .
N1 Y2 O5 N2 20.2(2) . .
O1 Y2 O11 N4 162.0(2) . .
O14 Y2 O11 N4 77.7(2) . .
O8 Y2 O11 N4 5.2(2) . .
O13 Y2 O11 N4 91.7(2) . .
O4 Y2 O11 N4 -122.8(2) . .
O10 Y2 O11 N4 -3.18(18) . .
O2 Y2 O11 N4 176.18(18) . .
O5 Y2 O11 N4 -71.9(2) . .
O7 Y2 O11 N4 -55.0(4) . .
N5 Y2 O11 N4 85.5(2) . .
N1 Y2 O11 N4 170.2(2) . .
O6 N2 O4 Y2 179.3(3) . .
O5 N2 O4 Y2 -0.7(3) . .
O1 Y2 O4 N2 172.6(2) . .
O14 Y2 O4 N2 136.46(19) . .
O8 Y2 O4 N2 -19.6(2) . .
O11 Y2 O4 N2 101.1(2) . .
O13 Y2 O4 N2 -128.60(19) . .
O10 Y2 O4 N2 55.5(2) . .
O2 Y2 O4 N2 -132.1(2) . .
O5 Y2 O4 N2 0.44(17) . .
O7 Y2 O4 N2 -63.55(19) . .
N5 Y2 O4 N2 -173.36(17) . .
N1 Y2 O4 N2 -159.9(2) . .
O15 N5 O13 Y2 175.1(3) . .
O14 N5 O13 Y2 -4.4(3) . .
O1 Y2 O13 N5 -76.1(2) . .
O14 Y2 O13 N5 2.67(17) . .
O8 Y2 O13 N5 100.8(2) . .
O11 Y2 O13 N5 -14.2(2) . .
O4 Y2 O13 N5 -131.00(19) . .
O10 Y2 O13 N5 44.8(2) . .
O2 Y2 O13 N5 -127.4(2) . .
O5 Y2 O13 N5 138.41(19) . .
O7 Y2 O13 N5 156.3(2) . .
N1 Y2 O13 N5 -101.4(2) . .
Y2 O7 N3 O9 173.2(3) . .
Y2 O7 N3 O8 -7.3(3) . .
Y2 O8 N3 O9 -173.0(3) . .
Y2 O8 N3 O7 7.5(3) . .
O1 Y2 N3 O9 -55(3) . .
O14 Y2 N3 O9 31(3) . .
O8 Y2 N3 O9 84(3) . .
O11 Y2 N3 O9 105(3) . .
O13 Y2 N3 O9 -10(2) . .
O4 Y2 N3 O9 -148(2) . .
O10 Y2 N3 O9 103(3) . .
O2 Y2 N3 O9 -76(3) . .
O5 Y2 N3 O9 176(3) . .
O7 Y2 N3 O9 -104(3) . .
N5 Y2 N3 O9 10(3) . .
N1 Y2 N3 O9 -70(3) . .
O1 Y2 N3 O7 49.2(2) . .
O14 Y2 N3 O7 134.87(18) . .
O8 Y2 N3 O7 -172.2(3) . .
O11 Y2 N3 O7 -150.55(19) . .
O13 Y2 N3 O7 94.01(19) . .
O4 Y2 N3 O7 -43.9(2) . .
O10 Y2 N3 O7 -152.52(19) . .
O2 Y2 N3 O7 27.84(19) . .
O5 Y2 N3 O7 -79.77(19) . .
N5 Y2 N3 O7 114.18(19) . .
N1 Y2 N3 O7 34.2(2) . .
O1 Y2 N3 O8 -138.7(2) . .
O14 Y2 N3 O8 -52.97(19) . .
O11 Y2 N3 O8 21.6(3) . .
O13 Y2 N3 O8 -93.8(2) . .
O4 Y2 N3 O8 128.29(18) . .
O10 Y2 N3 O8 19.64(19) . .
O2 Y2 N3 O8 -160.00(19) . .
O5 Y2 N3 O8 92.39(19) . .
O7 Y2 N3 O8 172.2(3) . .
N5 Y2 N3 O8 -73.67(19) . .
N1 Y2 N3 O8 -153.60(18) . .
O14 Y2 O1 N1 -123.5(2) . .
O8 Y2 O1 N1 -78.3(3) . .
O11 Y2 O1 N1 161.3(2) . .
O13 Y2 O1 N1 -71.0(2) . .
O4 Y2 O1 N1 76.8(2) . .
O10 Y2 O1 N1 174.80(18) . .
O2 Y2 O1 N1 -3.16(18) . .
O5 Y2 O1 N1 84.3(2) . .
O7 Y2 O1 N1 -6.8(2) . .
N5 Y2 O1 N1 -96.6(2) . .
Y2 O10 N4 O12 173.4(3) . .
Y2 O10 N4 O11 -5.3(3) . .
Y2 O11 N4 O12 -173.3(3) . .
Y2 O11 N4 O10 5.4(3) . .
O1 Y2 N4 O12 72(3) . .
O14 Y2 N4 O12 -4(3) . .
O8 Y2 N4 O12 -87(3) . .
O11 Y2 N4 O12 89(3) . .
O13 Y2 N4 O12 -16(3) . .
O4 Y2 N4 O12 144(3) . .
O10 Y2 N4 O12 -97(3) . .
O2 Y2 N4 O12 83(3) . .
O5 Y2 N4 O12 -164(3) . .
O7 Y2 N4 O12 -114(3) . .
N5 Y2 N4 O12 -9(3) . .
N1 Y2 N4 O12 77(3) . .
O1 Y2 N4 O10 168.89(19) . .
O14 Y2 N4 O10 92.8(2) . .
O8 Y2 N4 O10 10.23(19) . .
O11 Y2 N4 O10 -174.3(3) . .
O13 Y2 N4 O10 81.0(2) . .
O4 Y2 N4 O10 -118.51(19) . .
O2 Y2 N4 O10 179.78(17) . .
O5 Y2 N4 O10 -67.39(19) . .
O7 Y2 N4 O10 -16.6(3) . .
N5 Y2 N4 O10 88.23(19) . .
N1 Y2 N4 O10 174.38(18) . .
O1 Y2 N4 O11 -16.8(2) . .
O14 Y2 N4 O11 -92.9(2) . .
O8 Y2 N4 O11 -175.5(2) . .
O13 Y2 N4 O11 -104.7(2) . .
O4 Y2 N4 O11 55.8(2) . .
O10 Y2 N4 O11 174.3(3) . .
O2 Y2 N4 O11 -5.9(3) . .
O5 Y2 N4 O11 106.9(2) . .
O7 Y2 N4 O11 157.69(19) . .
N5 Y2 N4 O11 -97.5(2) . .
N1 Y2 N4 O11 -11.3(2) . .
Y2 O2 N1 O3 174.0(3) . .
Y2 O2 N1 O1 -5.2(3) . .
Y2 O1 N1 O3 -173.9(3) . .
Y2 O1 N1 O2 5.3(3) . .
O1 Y2 N1 O3 82(3) . .
O14 Y2 N1 O3 137(3) . .
O8 Y2 N1 O3 -137(3) . .
O11 Y2 N1 O3 64(3) . .
O13 Y2 N1 O3 -173(3) . .
O4 Y2 N1 O3 -12(3) . .
O10 Y2 N1 O3 74(3) . .
O2 Y2 N1 O3 -104(3) . .
O5 Y2 N1 O3 -29(3) . .
O7 Y2 N1 O3 -104(3) . .
N5 Y2 N1 O3 162(3) . .
O1 Y2 N1 O2 -174.3(3) . .
O14 Y2 N1 O2 -119.29(19) . .
O8 Y2 N1 O2 -33.2(3) . .
O11 Y2 N1 O2 168.16(19) . .
O13 Y2 N1 O2 -68.89(19) . .
O4 Y2 N1 O2 91.8(2) . .
O10 Y2 N1 O2 177.59(18) . .
O5 Y2 N1 O2 74.4(2) . .
O7 Y2 N1 O2 0.0(2) . .
N5 Y2 N1 O2 -94.5(2) . .
O14 Y2 N1 O1 55.1(2) . .
O8 Y2 N1 O1 141.1(2) . .
O11 Y2 N1 O1 -17.5(2) . .
O13 Y2 N1 O1 105.5(2) . .
O4 Y2 N1 O1 -93.8(2) . .
O10 Y2 N1 O1 -8.1(3) . .
O2 Y2 N1 O1 174.3(3) . .
O5 Y2 N1 O1 -111.3(2) . .
O7 Y2 N1 O1 174.3(2) . .
N5 Y2 N1 O1 79.9(2) . .
C1 N6 C5 C4 1.0(5) . .
C1 N6 C5 C6 -178.2(3) . .
N8 C6 C5 N6 161.3(3) 2_656 .
C7 C6 C5 N6 -20.7(5) . .
N8 C6 C5 C4 -17.9(5) 2_656 .
C7 C6 C5 C4 160.1(4) . .
C5 N6 C1 C2 -0.8(6) . .
C6 N8 C7 C6 -0.4(5) 2_656 .
C6 N8 C7 C8 179.7(3) 2_656 .
N8 C6 C7 N8 0.4(5) 2_656 .
C5 C6 C7 N8 -177.5(3) . .
N8 C6 C7 C8 -179.8(3) 2_656 .
C5 C6 C7 C8 2.4(6) . .
N6 C5 C4 C3 0.1(5) . .
C6 C5 C4 C3 179.3(3) . .
C12 N7 C8 C9 -0.4(6) . .
C12 N7 C8 C7 176.9(3) . .
C10 C9 C8 N7 1.3(6) . .
C10 C9 C8 C7 -175.9(3) . .
N8 C7 C8 N7 -157.5(3) . .
C6 C7 C8 N7 22.7(6) . .
N8 C7 C8 C9 19.8(5) . .
C6 C7 C8 C9 -160.1(4) . .
C5 C4 C3 C2 -1.5(6) . .
N6 C1 C2 C3 -0.6(6) . .
C4 C3 C2 C1 1.7(6) . .
C8 N7 C12 C11 -1.3(6) . .
C8 C9 C10 C11 -0.6(6) . .
N7 C12 C11 C10 1.9(6) . .
C9 C10 C11 C12 -0.9(6) . .
C13 N9 C17 C16 1.3(5) . .
C13 N9 C17 C18 -176.6(3) . .
N9 C17 C18 N11 161.1(3) . .
C16 C17 C18 N11 -16.8(4) . .
N9 C17 C18 C19 -20.7(5) . .
C16 C17 C18 C19 161.4(3) . .
C17 N9 C13 C14 -1.2(5) . .
N9 C13 C14 C15 0.0(5) . .
C16 C15 C14 C13 1.2(5) . .
C14 C15 C16 C17 -1.1(5) . .
N9 C17 C16 C15 -0.1(5) . .
C18 C17 C16 C15 177.8(3) . .
C24 N10 C20 C21 -1.4(5) . .
C24 N10 C20 C19 175.0(3) . .
N10 C20 C21 C22 1.2(5) . .
C19 C20 C21 C22 -175.1(3) . .
C20 C21 C22 C23 -0.2(6) . .
C21 C22 C23 C24 -0.6(6) . .
C20 N10 C24 C23 0.6(6) . .
C22 C23 C24 N10 0.4(6) . .
C19 C18 N11 C19 0.6(5) . 2_765
C17 C18 N11 C19 179.0(3) . 2_765
N11 C18 C19 N11 -0.5(5) . 2_765
C17 C18 C19 N11 -178.7(3) . 2_765
N11 C18 C19 C20 -179.5(3) . .
C17 C18 C19 C20 2.4(6) . .
N10 C20 C19 N11 -160.0(3) . 2_765
C21 C20 C19 N11 16.3(4) . 2_765
N10 C20 C19 C18 19.0(5) . .
C21 C20 C19 C18 -164.7(3) . .
