#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/19/7001911.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_7001911
loop_
_publ_author_name
'Tegoni, Matteo'
'Tropiano, Manuel'
'Marchiò, Luciano'
_publ_section_title
;
 Thermodynamics of binding of carboxylates to amphiphilic Eu3+/Cu2+
 metallacrown
;
_journal_issue                   34
_journal_name_full               'Dalton Transactions'
_journal_page_first              6705
_journal_page_last               6708
_journal_paper_doi               10.1039/b911512a
_journal_year                    2009
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C66 H80 Cu5 Eu N10 O23.50'
_chemical_formula_sum            'C66 H80 Cu5 Eu N10 O23.5'
_chemical_formula_weight         1859.06
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.285(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.890(3)
_cell_length_b                   28.850(5)
_cell_length_c                   17.610(3)
_cell_measurement_reflns_used    16800
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.07
_cell_measurement_theta_min      1.30
_cell_volume                     7626(2)
_computing_cell_refinement       Saint
_computing_data_collection       Smart
_computing_data_reduction        Saint
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Sir97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Smart 1000 CCD'
_diffrn_measurement_method       'theta & omega scan'
_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  0.1184
_diffrn_reflns_av_sigmaI/netI    0.1958
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            77221
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         1.30
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.259
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.656
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3768
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.300
_refine_diff_density_min         -0.883
_refine_diff_density_rms         0.116
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.013(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1638
_refine_ls_number_reflns         29931
_refine_ls_number_restraints     163
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1587
_refine_ls_R_factor_gt           0.0658
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0157P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1124
_reflns_number_gt                13397
_reflns_number_total             29931
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b911512a.txt
_cod_data_source_block           mc
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P21
_cod_original_formula_sum        'C66 H80 Cu5 Eu N10 O23.50'
_cod_database_code               7001911
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.98223(4) 0.62463(2) 0.20155(3) 0.04486(18) Uani 1 1 d . . .
Eu2 Eu 0.52426(4) 0.74411(2) 0.28487(3) 0.04403(18) Uani 1 1 d . E .
Cu1 Cu 1.04403(9) 0.63465(6) 0.44446(8) 0.0553(5) Uani 1 1 d . . .
Cu2 Cu 0.76298(8) 0.63171(6) 0.22049(8) 0.0531(4) Uani 1 1 d . . .
Cu3 Cu 0.78966(10) 0.65437(6) -0.02255(9) 0.0632(5) Uani 1 1 d . . .
Cu4 Cu 1.08435(9) 0.63489(5) 0.04417(8) 0.0537(4) Uani 1 1 d . . .
Cu5 Cu 1.24185(8) 0.62415(6) 0.33444(8) 0.0488(4) Uani 1 1 d . . .
Cu6 Cu 0.77839(8) 0.73339(5) 0.44376(8) 0.0537(4) Uani 1 1 d . E .
Cu7 Cu 0.54800(10) 0.71507(6) 0.50945(9) 0.0609(5) Uani 1 1 d . . .
Cu8 Cu 0.28606(8) 0.73873(6) 0.26664(8) 0.0501(4) Uani 1 1 d . E .
Cu9 Cu 0.35327(8) 0.73840(6) 0.04285(8) 0.0541(4) Uani 1 1 d . E .
Cu10 Cu 0.65455(8) 0.74519(6) 0.15247(8) 0.0507(4) Uani 1 1 d . E .
O2W O 0.5278(4) 0.6615(3) 0.2765(4) 0.056(2) Uani 1 1 d . . .
O1W O 0.9905(4) 0.7062(3) 0.2027(4) 0.055(2) Uani 1 1 d . . .
O11 O 0.9554(4) 0.6372(3) 0.3272(4) 0.049(2) Uani 1 1 d . . .
O21 O 0.9439(4) 0.6203(3) 0.4663(4) 0.066(3) Uani 1 1 d . . .
N11 N 0.8682(5) 0.6313(3) 0.3214(6) 0.055(3) Uani 1 1 d . . .
C71 C 0.6499(18) 0.4820(5) 0.1798(9) 0.183(14) Uani 1 1 d . . .
H71 H 0.6203 0.4695 0.1252 0.219 Uiso 1 1 calc R . .
N21 N 0.7136(5) 0.6269(4) 0.3039(5) 0.055(3) Uiso 1 1 d . . .
H21C H 0.6932 0.6548 0.3097 0.066 Uiso 1 1 calc R . .
H21D H 0.6674 0.6070 0.2837 0.066 Uiso 1 1 calc R . .
C41 C 0.7279(10) 0.5307(5) 0.3253(10) 0.083(5) Uani 1 1 d . . .
C31 C 0.7712(9) 0.5593(5) 0.4037(9) 0.093(5) Uani 1 1 d . . .
H31A H 0.8298 0.5467 0.4398 0.111 Uiso 1 1 calc R . .
H31B H 0.7366 0.5569 0.4349 0.111 Uiso 1 1 calc R . .
C21 C 0.7810(8) 0.6109(4) 0.3872(7) 0.070(4) Uani 1 1 d . . .
H21 H 0.7736 0.6289 0.4307 0.083 Uiso 1 1 calc R . .
C11 C 0.8770(7) 0.6216(4) 0.3975(8) 0.063(4) Uani 1 1 d . . .
C51 C 0.6391(11) 0.5185(5) 0.2961(12) 0.116(7) Uani 1 1 d . . .
H51 H 0.6085 0.5264 0.3267 0.139 Uiso 1 1 calc R . .
C81 C 0.7333(15) 0.4868(9) 0.2133(15) 0.200(13) Uani 1 1 d . . .
H81 H 0.7659 0.4709 0.1910 0.240 Uiso 1 1 calc R . .
C91 C 0.7772(12) 0.5160(6) 0.2839(12) 0.112(7) Uani 1 1 d . . .
H91 H 0.8359 0.5251 0.3024 0.134 Uiso 1 1 calc R . .
C61 C 0.5993(12) 0.4952(6) 0.2228(11) 0.132(8) Uani 1 1 d . . .
H61 H 0.5392 0.4876 0.1999 0.159 Uiso 1 1 calc R . .
O12 O 0.8265(4) 0.6371(3) 0.1598(4) 0.058(3) Uani 1 1 d . . .
N12 N 0.7635(5) 0.6439(3) 0.0712(5) 0.049(3) Uani 1 1 d . . .
N22 N 0.6556(6) 0.6639(3) -0.0864(5) 0.067(3) Uani 1 1 d . . .
H22A H 0.6442 0.6943 -0.0977 0.080 Uiso 1 1 calc R . .
H22B H 0.6340 0.6488 -0.1366 0.080 Uiso 1 1 calc R . .
O22 O 0.6566(4) 0.6374(3) 0.1168(4) 0.066(3) Uani 1 1 d . . .
C12 C 0.6764(7) 0.6440(4) 0.0572(9) 0.065(4) Uani 1 1 d . . .
C22 C 0.6078(8) 0.6470(4) -0.0369(7) 0.061(4) Uani 1 1 d . . .
H22 H 0.5637 0.6705 -0.0421 0.073 Uiso 1 1 calc R . .
C32 C 0.5606(9) 0.6032(5) -0.0691(8) 0.092(5) Uani 1 1 d . . .
H32A H 0.5112 0.6081 -0.1254 0.110 Uiso 1 1 calc R . .
H32B H 0.5367 0.5925 -0.0315 0.110 Uiso 1 1 calc R . .
C42 C 0.6275(9) 0.5635(5) -0.0747(9) 0.079(5) Uani 1 1 d . . .
C52 C 0.6861(10) 0.5416(5) -0.0021(10) 0.108(6) Uani 1 1 d D . .
H52 H 0.6890 0.5499 0.0501 0.130 Uiso 1 1 calc R . .
C92 C 0.6275(12) 0.5559(7) -0.1483(11) 0.145(8) Uani 1 1 d D . .
H92 H 0.5920 0.5720 -0.1983 0.173 Uiso 1 1 calc R . .
C72 C 0.7396(14) 0.4961(7) -0.0815(15) 0.191(10) Uani 1 1 d DU . .
H72 H 0.7748 0.4721 -0.0847 0.229 Uiso 1 1 calc R . .
C62 C 0.7400(15) 0.5080(7) -0.0051(16) 0.229(13) Uani 1 1 d DU . .
H62 H 0.7780 0.4926 0.0449 0.275 Uiso 1 1 calc R . .
C82 C 0.6921(15) 0.5179(7) -0.1426(15) 0.197(10) Uani 1 1 d DU . .
H82 H 0.6947 0.5109 -0.1929 0.236 Uiso 1 1 calc R . .
N13 N 0.9623(5) 0.6427(3) 0.0001(6) 0.051(3) Uani 1 1 d . . .
O13 O 0.9127(4) 0.6400(3) 0.0490(4) 0.056(3) Uani 1 1 d . . .
O23 O 0.8239(5) 0.6541(3) -0.1113(4) 0.074(3) Uani 1 1 d . . .
C13 C 0.9070(9) 0.6503(4) -0.0802(7) 0.063(4) Uani 1 1 d . . .
C33 C 0.9224(9) 0.6155(5) -0.2038(7) 0.093(5) Uani 1 1 d . . .
H33A H 0.8579 0.6155 -0.2295 0.112 Uiso 1 1 calc R . .
H33B H 0.9390 0.6254 -0.2472 0.112 Uiso 1 1 calc R . .
N23 N 1.0576(6) 0.6495(3) -0.0761(6) 0.069(3) Uani 1 1 d . . .
H23A H 1.0812 0.6772 -0.0779 0.083 Uiso 1 1 calc R . .
H23B H 1.0822 0.6279 -0.0955 0.083 Uiso 1 1 calc R . .
C53 C 0.9313(13) 0.5434(6) -0.1321(11) 0.140(8) Uani 1 1 d . . .
H53 H 0.8990 0.5563 -0.1065 0.168 Uiso 1 1 calc R . .
C23 C 0.9573(9) 0.6507(4) -0.1324(8) 0.072(4) Uani 1 1 d . . .
H23 H 0.9448 0.6810 -0.1607 0.087 Uiso 1 1 calc R . .
C43 C 0.9535(9) 0.5682(5) -0.1793(9) 0.083(5) Uani 1 1 d . . .
C93 C 1.0117(12) 0.5522(6) -0.2087(12) 0.131(7) Uani 1 1 d . . .
H93 H 1.0264 0.5706 -0.2438 0.157 Uiso 1 1 calc R . .
C63 C 0.9565(17) 0.4949(7) -0.1187(15) 0.199(13) Uani 1 1 d . . .
H63 H 0.9343 0.4748 -0.0917 0.239 Uiso 1 1 calc R . .
C83 C 1.0465(16) 0.5097(10) -0.1855(14) 0.198(13) Uani 1 1 d . . .
H83 H 1.0932 0.4998 -0.1957 0.238 Uiso 1 1 calc R . .
C73 C 1.0114(17) 0.4811(7) -0.1461(13) 0.174(11) Uani 1 1 d . . .
H73 H 1.0282 0.4501 -0.1388 0.209 Uiso 1 1 calc R . .
C14 C 1.2438(7) 0.6265(5) 0.1749(8) 0.061(4) Uani 1 1 d U . .
O14 O 1.0986(4) 0.6389(2) 0.1615(4) 0.050(2) Uani 1 1 d U . .
N24 N 1.3549(5) 0.6232(4) 0.3249(4) 0.047(3) Uani 1 1 d U . .
H24A H 1.3838 0.6502 0.3446 0.057 Uiso 1 1 calc R . .
H24B H 1.3899 0.6003 0.3579 0.057 Uiso 1 1 calc R . .
O24 O 1.2103(5) 0.6287(3) 0.0944(4) 0.057(2) Uani 1 1 d U . .
C24 C 1.3395(6) 0.6162(4) 0.2356(8) 0.064(4) Uani 1 1 d U . .
H24 H 1.3756 0.6394 0.2249 0.077 Uiso 1 1 calc R . .
N14 N 1.1937(7) 0.6296(3) 0.2107(5) 0.067(3) Uani 1 1 d U . .
C34 C 1.3678(9) 0.5690(5) 0.2171(9) 0.105(6) Uani 1 1 d . . .
H34A H 1.4322 0.5678 0.2412 0.126 Uiso 1 1 calc R . .
H34B H 1.3429 0.5646 0.1558 0.126 Uiso 1 1 calc R . .
C44 C 1.3325(9) 0.5261(4) 0.2594(8) 0.094(5) Uiso 1 1 d G . .
C54 C 1.2432(8) 0.5133(4) 0.2179(6) 0.140(7) Uiso 1 1 d G . .
H54 H 1.2064 0.5246 0.1634 0.169 Uiso 1 1 calc R . .
C74 C 1.2090(7) 0.4837(4) 0.2578(9) 0.130(7) Uiso 1 1 d G . .
H74 H 1.1493 0.4751 0.2301 0.156 Uiso 1 1 calc R . .
C64 C 1.2640(10) 0.4668(4) 0.3392(9) 0.187(10) Uiso 1 1 d G . .
H64 H 1.2411 0.4470 0.3659 0.224 Uiso 1 1 calc R . .
C94 C 1.3533(10) 0.4797(5) 0.3807(6) 0.179(9) Uiso 1 1 d G . .
H94 H 1.3901 0.4684 0.4351 0.214 Uiso 1 1 calc R . .
C84 C 1.3875(6) 0.5093(4) 0.3407(8) 0.170(9) Uiso 1 1 d G . .
H84 H 1.4472 0.5179 0.3685 0.204 Uiso 1 1 calc R . .
O15 O 1.1265(4) 0.6302(3) 0.3298(4) 0.044(2) Uani 1 1 d . . .
N15 N 1.1394(4) 0.6295(4) 0.4145(5) 0.044(2) Uani 1 1 d . . .
N25 N 1.1484(6) 0.6370(3) 0.5612(5) 0.068(3) Uani 1 1 d . . .
H25A H 1.1578 0.6666 0.5795 0.082 Uiso 1 1 calc R . .
H25B H 1.1356 0.6205 0.5976 0.082 Uiso 1 1 calc R . .
C25 C 1.2329(7) 0.6180(4) 0.5624(6) 0.047(3) Uani 1 1 d . . .
H25 H 1.2828 0.6381 0.5986 0.056 Uiso 1 1 calc R . .
O25 O 1.2860(4) 0.6165(3) 0.4554(4) 0.059(2) Uani 1 1 d . . .
C15 C 1.2187(7) 0.6220(4) 0.4726(6) 0.049(3) Uani 1 1 d . . .
C45 C 1.1787(9) 0.5361(5) 0.5556(8) 0.078(5) Uani 1 1 d . . .
C35 C 1.2540(8) 0.5714(5) 0.5943(8) 0.082(5) Uani 1 1 d . . .
H35A H 1.2748 0.5721 0.6555 0.099 Uiso 1 1 calc R . .
H35B H 1.3031 0.5606 0.5847 0.099 Uiso 1 1 calc R . .
C55 C 1.1502(12) 0.5175(5) 0.4722(9) 0.105(6) Uani 1 1 d . . .
H55 H 1.1852 0.5230 0.4450 0.126 Uiso 1 1 calc R . .
C95 C 1.1167(13) 0.5242(6) 0.5920(12) 0.133(7) Uani 1 1 d . . .
H95 H 1.1307 0.5356 0.6460 0.159 Uiso 1 1 calc R . .
C85 C 1.0426(13) 0.4982(5) 0.5532(16) 0.168(10) Uani 1 1 d . . .
H85 H 1.0050 0.4911 0.5770 0.202 Uiso 1 1 calc R . .
C75 C 1.0288(13) 0.4829(5) 0.4707(11) 0.131(8) Uani 1 1 d . . .
H75 H 0.9804 0.4636 0.4400 0.157 Uiso 1 1 calc R . .
C65 C 1.0817(14) 0.4945(6) 0.4341(12) 0.160(10) Uani 1 1 d . . .
H65 H 1.0656 0.4848 0.3785 0.192 Uiso 1 1 calc R . .
O16 O 0.6860(4) 0.7323(2) 0.3286(4) 0.046(2) Uani 1 1 d . . .
C16 C 0.8071(7) 0.7454(4) 0.3078(7) 0.049(3) Uani 1 1 d . . .
N16 N 0.7221(6) 0.7423(3) 0.2701(5) 0.048(3) Uani 1 1 d . . .
O26 O 0.8590(5) 0.7434(3) 0.3939(5) 0.067(2) Uani 1 1 d . . .
N26 N 0.7732(6) 0.7532(3) 0.1618(5) 0.062(3) Uani 1 1 d . . .
H26A H 0.7825 0.7307 0.1315 0.074 Uiso 1 1 calc R . .
H26B H 0.7749 0.7805 0.1378 0.074 Uiso 1 1 calc R . .
C36 C 0.9081(8) 0.7961(4) 0.2737(8) 0.069(4) Uani 1 1 d . . .
H36A H 0.9521 0.7936 0.3332 0.083 Uiso 1 1 calc R . .
H36B H 0.9400 0.7955 0.2398 0.083 Uiso 1 1 calc R . .
C46 C 0.8633(8) 0.8428(4) 0.2612(8) 0.066(4) Uani 1 1 d . . .
C96 C 0.8427(10) 0.8666(5) 0.3190(9) 0.085(5) Uani 1 1 d . . .
H96 H 0.8539 0.8511 0.3692 0.102 Uiso 1 1 calc R . .
C56 C 0.8418(11) 0.8696(6) 0.1883(10) 0.108(6) Uani 1 1 d . . .
H56 H 0.8550 0.8584 0.1460 0.130 Uiso 1 1 calc R . .
C26 C 0.8470(6) 0.7522(4) 0.2505(7) 0.053(3) Uani 1 1 d . . .
H26 H 0.8840 0.7251 0.2556 0.063 Uiso 1 1 calc R . .
C86 C 0.8102(12) 0.9073(5) 0.3103(12) 0.127(7) Uani 1 1 d . . .
H86 H 0.8074 0.9227 0.3553 0.152 Uiso 1 1 calc R . .
C66 C 0.8019(12) 0.9120(5) 0.1775(12) 0.133(8) Uani 1 1 d . . .
H66 H 0.7924 0.9293 0.1296 0.159 Uiso 1 1 calc R . .
C76 C 0.7784(10) 0.9279(5) 0.2274(13) 0.123(8) Uani 1 1 d . . .
H76 H 0.7401 0.9533 0.2122 0.148 Uiso 1 1 calc R . .
O17 O 0.6015(5) 0.7243(3) 0.4351(4) 0.055(2) Uani 1 1 d U E .
N17 N 0.6952(6) 0.7235(3) 0.4835(6) 0.054(3) Uani 1 1 d U . .
C17 C 0.7277(9) 0.7182(5) 0.5737(7) 0.083(5) Uani 1 1 d U E .
N27 N 0.8679(6) 0.7217(4) 0.5653(6) 0.074(4) Uani 1 1 d U . .
H27A H 0.8936 0.6939 0.5696 0.089 Uiso 1 1 calc R E .
H27B H 0.9108 0.7435 0.5824 0.089 Uiso 1 1 calc R . .
O27 O 0.6675(6) 0.7151(3) 0.5986(5) 0.080(3) Uani 1 1 d U E .
C27 C 0.8207(7) 0.7231(4) 0.6230(6) 0.064(4) Uani 1 1 d U E .
H27 H 0.8416 0.6960 0.6608 0.077 Uiso 1 1 calc R . .
C37 C 0.8451(8) 0.7655(5) 0.6797(7) 0.084(5) Uani 1 1 d . . .
H37A H 0.9076 0.7636 0.7210 0.101 Uiso 1 1 calc R E .
H37B H 0.8106 0.7656 0.7110 0.101 Uiso 1 1 calc R . .
C57 C 0.8289(9) 0.8118(3) 0.6299(6) 0.106(6) Uiso 1 1 d G E .
C47 C 0.8948(6) 0.8328(4) 0.6154(7) 0.131(7) Uiso 1 1 d G . .
H47 H 0.9531 0.8221 0.6435 0.157 Uiso 1 1 calc R E .
C67 C 0.8735(9) 0.8698(4) 0.5589(8) 0.158(8) Uiso 1 1 d G E .
H67 H 0.9176 0.8839 0.5491 0.190 Uiso 1 1 calc R . .
C77 C 0.7862(10) 0.8859(3) 0.5168(7) 0.163(8) Uiso 1 1 d G . .
H77 H 0.7720 0.9106 0.4790 0.195 Uiso 1 1 calc R E .
C97 C 0.7203(7) 0.8649(4) 0.5313(7) 0.158(8) Uiso 1 1 d G E .
H97 H 0.6620 0.8756 0.5032 0.190 Uiso 1 1 calc R . .
C87 C 0.7416(8) 0.8279(4) 0.5879(8) 0.124(6) Uiso 1 1 d G . .
H87 H 0.6975 0.8138 0.5976 0.149 Uiso 1 1 calc R E .
O18 O 0.4109(4) 0.7256(3) 0.3296(4) 0.052(2) Uani 1 1 d . . .
O28 O 0.2834(5) 0.7280(3) 0.3709(4) 0.062(3) Uani 1 1 d . . .
N18 N 0.4330(6) 0.7246(3) 0.4204(6) 0.050(3) Uani 1 1 d . E .
C28 C 0.3848(8) 0.7222(4) 0.5242(7) 0.054(4) Uani 1 1 d . . .
H28 H 0.3608 0.6925 0.5314 0.065 Uiso 1 1 calc R E .
C18 C 0.3594(7) 0.7247(4) 0.4331(7) 0.052(4) Uani 1 1 d . E .
N28 N 0.4793(7) 0.7183(4) 0.5760(5) 0.081(4) Uani 1 1 d . E .
H28A H 0.4908 0.6926 0.6084 0.097 Uiso 1 1 calc R . .
H28B H 0.4985 0.7428 0.6114 0.097 Uiso 1 1 calc R . .
C38 C 0.3402(10) 0.7600(4) 0.5583(9) 0.101(5) Uiso 1 1 d D B .
H38A H 0.2774 0.7617 0.5179 0.121 Uiso 1 1 calc R A 1
H38B H 0.3441 0.7488 0.6118 0.121 Uiso 1 1 calc R A 1
C48 C 0.3735(16) 0.8043(7) 0.5718(15) 0.048(9) Uiso 0.40 1 d PGU B 1
C58 C 0.4396(18) 0.8209(10) 0.6490(13) 0.119(15) Uiso 0.40 1 d PGU B 1
H58 H 0.4642 0.8014 0.6964 0.143 Uiso 0.40 1 calc PR B 1
C68 C 0.4688(16) 0.8664(10) 0.6555(14) 0.139(16) Uiso 0.40 1 d PGU B 1
H68 H 0.5130 0.8775 0.7072 0.167 Uiso 0.40 1 calc PR B 1
C78 C 0.4320(18) 0.8954(7) 0.5847(19) 0.123(14) Uiso 0.40 1 d PGU B 1
H78 H 0.4516 0.9259 0.5890 0.147 Uiso 0.40 1 calc PR B 1
C88 C 0.3660(17) 0.8789(8) 0.5074(15) 0.107(13) Uiso 0.40 1 d PGU B 1
H88 H 0.3414 0.8983 0.4600 0.129 Uiso 0.40 1 calc PR B 1
C98 C 0.3367(14) 0.8334(8) 0.5009(12) 0.082(11) Uiso 0.40 1 d PGU B 1
H98 H 0.2925 0.8223 0.4492 0.098 Uiso 0.40 1 calc PR B 1
C48A C 0.3961(17) 0.8052(8) 0.594(2) 0.189(16) Uiso 0.60 1 d PGDU B 2
C98A C 0.4147(17) 0.8313(10) 0.5379(12) 0.175(14) Uiso 0.60 1 d PGU B 2
H98A H 0.3886 0.8236 0.4803 0.210 Uiso 0.60 1 calc PR B 2
C68A C 0.4722(18) 0.8689(9) 0.5679(18) 0.184(14) Uiso 0.60 1 d PGU B 2
H68A H 0.4846 0.8864 0.5302 0.221 Uiso 0.60 1 calc PR B 2
C88A C 0.5111(14) 0.8805(7) 0.654(2) 0.204(16) Uiso 0.60 1 d PGU B 2
H88A H 0.5496 0.9057 0.6741 0.245 Uiso 0.60 1 calc PR B 2
C58A C 0.4926(17) 0.8544(10) 0.7103(12) 0.175(14) Uiso 0.60 1 d PGU B 2
H58A H 0.5187 0.8621 0.7680 0.210 Uiso 0.60 1 calc PR B 2
C78A C 0.435(2) 0.8167(10) 0.6804(19) 0.226(18) Uiso 0.60 1 d PGU B 2
H78A H 0.4227 0.7992 0.7181 0.271 Uiso 0.60 1 calc PR B 2
O19 O 0.3812(4) 0.7408(3) 0.1631(4) 0.049(2) Uani 1 1 d . . .
O29 O 0.2314(4) 0.7498(3) 0.0197(4) 0.058(2) Uani 1 1 d . . .
N19 N 0.2990(5) 0.7434(3) 0.1632(4) 0.035(2) Uani 1 1 d . E .
N29 N 0.1568(5) 0.7432(3) 0.1839(5) 0.047(2) Uani 1 1 d . . .
H29A H 0.1297 0.7165 0.1852 0.056 Uiso 1 1 calc R E .
H29B H 0.1321 0.7661 0.2004 0.056 Uiso 1 1 calc R . .
C29 C 0.1405(7) 0.7522(4) 0.0935(7) 0.063(4) Uani 1 1 d . E .
H29 H 0.0983 0.7292 0.0556 0.076 Uiso 1 1 calc R . .
C19 C 0.2302(6) 0.7472(4) 0.0896(7) 0.054(3) Uani 1 1 d . E .
C49 C 0.1451(10) 0.8383(5) 0.1223(11) 0.091(5) Uani 1 1 d . E .
C39 C 0.1017(8) 0.8008(5) 0.0639(8) 0.078(4) Uani 1 1 d . . .
H39A H 0.1032 0.8075 0.0106 0.094 Uiso 1 1 calc R E .
H39B H 0.0396 0.8004 0.0519 0.094 Uiso 1 1 calc R . .
C59 C 0.1165(12) 0.8553(5) 0.1767(12) 0.123(7) Uani 1 1 d U . .
H59 H 0.0653 0.8420 0.1745 0.147 Uiso 1 1 calc R E .
C99 C 0.2199(12) 0.8556(6) 0.1147(14) 0.158(8) Uani 1 1 d U . .
H99 H 0.2349 0.8451 0.0731 0.189 Uiso 1 1 calc R E .
C89 C 0.2729(16) 0.8919(7) 0.1785(17) 0.196(9) Uani 1 1 d U E .
H89 H 0.3249 0.9045 0.1815 0.236 Uiso 1 1 calc R . .
C69 C 0.1544(14) 0.8894(7) 0.2336(16) 0.185(9) Uani 1 1 d U E .
H69 H 0.1292 0.9007 0.2671 0.222 Uiso 1 1 calc R . .
C79 C 0.2337(16) 0.9071(7) 0.2397(17) 0.210(10) Uani 1 1 d U . .
H79 H 0.2648 0.9289 0.2819 0.252 Uiso 1 1 calc R E .
O110 O 0.5420(4) 0.7360(3) 0.1554(4) 0.048(2) Uani 1 1 d . . .
O210 O 0.5856(4) 0.7479(3) 0.0328(4) 0.052(2) Uani 1 1 d . . .
N110 N 0.4775(5) 0.7394(3) 0.0706(5) 0.047(2) Uani 1 1 d . E .
C110 C 0.5036(7) 0.7450(4) 0.0157(6) 0.041(3) Uani 1 1 d . E .
N210 N 0.3419(5) 0.7406(4) -0.0776(5) 0.058(3) Uani 1 1 d . . .
H21A H 0.3210 0.7133 -0.1036 0.070 Uiso 1 1 calc R E .
H21B H 0.3024 0.7627 -0.1079 0.070 Uiso 1 1 calc R . .
C210 C 0.4260(7) 0.7503(4) -0.0770(6) 0.055(3) Uani 1 1 d . E .
H210 H 0.4349 0.7277 -0.1140 0.066 Uiso 1 1 calc R . .
C310 C 0.4291(8) 0.7992(5) -0.1100(7) 0.075(4) Uani 1 1 d . . .
H31C H 0.4853 0.8032 -0.1116 0.090 Uiso 1 1 calc R E .
H31D H 0.3818 0.8021 -0.1680 0.090 Uiso 1 1 calc R . .
C410 C 0.4192(11) 0.8375(5) -0.0556(9) 0.085(5) Uani 1 1 d . E .
C510 C 0.3394(11) 0.8524(6) -0.0783(10) 0.111(6) Uani 1 1 d . . .
H510 H 0.2895 0.8404 -0.1248 0.133 Uiso 1 1 calc R E .
C910 C 0.4928(10) 0.8553(5) 0.0113(9) 0.096(6) Uani 1 1 d . . .
H910 H 0.5480 0.8436 0.0213 0.115 Uiso 1 1 calc R E .
C810 C 0.4911(15) 0.8888(7) 0.0638(14) 0.177(11) Uani 1 1 d . E .
H810 H 0.5429 0.8992 0.1101 0.213 Uiso 1 1 calc R . .
C710 C 0.4084(15) 0.9070(6) 0.0455(13) 0.147(10) Uani 1 1 d . . .
H710 H 0.4039 0.9303 0.0799 0.176 Uiso 1 1 calc R E .
C610 C 0.3341(12) 0.8913(6) -0.0219(14) 0.145(9) Uani 1 1 d . E .
H610 H 0.2791 0.9043 -0.0341 0.174 Uiso 1 1 calc R . .
C111 C 0.9673(7) 0.5260(6) 0.1834(7) 0.070(5) Uani 1 1 d . . .
O211 O 0.9431(7) 0.5462(3) 0.2313(6) 0.096(4) Uani 1 1 d . . .
O111 O 1.0007(7) 0.5500(3) 0.1484(6) 0.099(4) Uani 1 1 d . . .
C211 C 0.9590(8) 0.4737(5) 0.1724(9) 0.065(4) Uani 1 1 d . . .
C311 C 0.9287(10) 0.4478(7) 0.2227(9) 0.108(6) Uani 1 1 d . . .
H311 H 0.9147 0.4616 0.2628 0.129 Uiso 1 1 calc R . .
C711 C 0.9721(10) 0.4524(5) 0.1157(10) 0.108(6) Uani 1 1 d . . .
H711 H 0.9871 0.4696 0.0796 0.129 Uiso 1 1 calc R . .
C611 C 0.9650(11) 0.4054(6) 0.1057(13) 0.136(8) Uani 1 1 d . . .
H611 H 0.9799 0.3914 0.0665 0.163 Uiso 1 1 calc R . .
C411 C 0.9215(11) 0.4004(5) 0.2076(12) 0.116(7) Uani 1 1 d . . .
H411 H 0.9039 0.3821 0.2406 0.139 Uiso 1 1 calc R . .
C511 C 0.9377(11) 0.3798(7) 0.1505(13) 0.138(9) Uani 1 1 d . . .
H511 H 0.9301 0.3479 0.1417 0.166 Uiso 1 1 calc R . .
O212 O 0.5699(6) 0.8220(3) 0.2726(6) 0.096(4) Uani 1 1 d . . .
O112 O 0.4848(6) 0.8153(3) 0.3290(7) 0.097(3) Uani 1 1 d . . .
C212 C 0.5343(8) 0.8927(5) 0.3183(8) 0.066(4) Uani 1 1 d . . .
C412 C 0.5941(13) 0.9636(7) 0.3035(13) 0.142(8) Uani 1 1 d . . .
H412 H 0.6321 0.9798 0.2882 0.170 Uiso 1 1 calc R E .
C112 C 0.5309(8) 0.8403(4) 0.3043(7) 0.049(4) Uani 1 1 d . E .
C312 C 0.5859(12) 0.9186(5) 0.2940(10) 0.111(7) Uani 1 1 d . E .
H312 H 0.6170 0.9036 0.2692 0.133 Uiso 1 1 calc R . .
C512 C 0.5454(12) 0.9863(6) 0.3368(12) 0.148(9) Uani 1 1 d . E .
H512 H 0.5451 1.0185 0.3389 0.178 Uiso 1 1 calc R . .
C612 C 0.4944(11) 0.9591(6) 0.3685(14) 0.161(9) Uani 1 1 d . . .
H612 H 0.4672 0.9731 0.3981 0.193 Uiso 1 1 calc R E .
C712 C 0.4873(10) 0.9123(5) 0.3538(11) 0.112(7) Uani 1 1 d . E .
H712 H 0.4504 0.8943 0.3682 0.135 Uiso 1 1 calc R . .
O113 O 0.7946(6) 0.7335(3) 0.0039(5) 0.098(3) Uiso 1 1 d . C .
O213 O 0.9198(7) 0.7722(3) 0.0813(7) 0.100(3) Uiso 1 1 d . C .
C113 C 0.8457(10) 0.7668(4) 0.0171(9) 0.083(5) Uiso 1 1 d D . .
C213 C 0.8170(11) 0.8042(5) -0.0477(10) 0.090(7) Uiso 0.70 1 d PGDU C 3
C313 C 0.8553(10) 0.8480(6) -0.0324(10) 0.119(11) Uiso 0.70 1 d PGDU C 3
H313 H 0.9027 0.8549 0.0206 0.143 Uiso 0.70 1 calc PR C 3
C413 C 0.8230(15) 0.8815(5) -0.0961(15) 0.162(11) Uiso 0.70 1 d PGU C 3
H413 H 0.8486 0.9108 -0.0859 0.195 Uiso 0.70 1 calc PR C 3
C513 C 0.7522(16) 0.8712(8) -0.1753(12) 0.233(15) Uiso 0.70 1 d PGU C 3
H513 H 0.7305 0.8936 -0.2180 0.280 Uiso 0.70 1 calc PR C 3
C613 C 0.7139(13) 0.8273(9) -0.1906(9) 0.309(19) Uiso 0.70 1 d PGU C 3
H613 H 0.6665 0.8204 -0.2436 0.371 Uiso 0.70 1 calc PR C 3
C713 C 0.7463(12) 0.7938(6) -0.1268(13) 0.217(14) Uiso 0.70 1 d PGDU C 3
H713 H 0.7206 0.7645 -0.1371 0.261 Uiso 0.70 1 calc PR C 3
C3B C 0.8514(18) 0.8508(11) -0.021(2) 0.16(3) Uiso 0.30 1 d PGDU C 4
H3B H 0.9130 0.8487 0.0100 0.189 Uiso 0.30 1 calc PR C 4
C2B C 0.7984(19) 0.8126(7) -0.0287(12) 0.17(2) Uiso 0.30 1 d PGDU C 4
C7B C 0.7063(18) 0.8158(9) -0.0756(17) 0.067(12) Uiso 0.30 1 d PGDU C 4
H7B H 0.6708 0.7902 -0.0804 0.081 Uiso 0.30 1 calc PR C 4
C4B C 0.6672(19) 0.8572(11) -0.1153(18) 0.116(17) Uiso 0.30 1 d PGDU C 4
H4B H 0.6056 0.8594 -0.1467 0.139 Uiso 0.30 1 calc PR C 4
C5B C 0.720(3) 0.8955(8) -0.108(2) 0.16(2) Uiso 0.30 1 d PGU C 4
H5B H 0.6941 0.9232 -0.1346 0.187 Uiso 0.30 1 calc PR C 4
C6B C 0.812(3) 0.8923(9) -0.061(3) 0.17(2) Uiso 0.30 1 d PGU C 4
H6B H 0.8478 0.9179 -0.0563 0.206 Uiso 0.30 1 calc PR C 4
O214 O 0.7530(11) 1.1107(4) 0.2352(7) 0.196(7) Uani 1 1 d . . .
C114 C 0.7488(15) 1.1053(6) 0.1621(10) 0.141(9) Uani 1 1 d . . .
O114 O 0.7776(9) 1.1353(4) 0.1330(6) 0.152(6) Uani 1 1 d . . .
C214 C 0.6813(10) 1.0057(4) -0.0002(6) 0.198(14) Uani 1 1 d G . .
H214 H 0.6951 0.9943 -0.0421 0.238 Uiso 1 1 calc R . .
C514 C 0.7266(7) 1.0439(4) 0.0482(7) 0.139(8) Uani 1 1 d G . .
H514 H 0.7707 1.0581 0.0387 0.166 Uiso 1 1 calc R . .
C414 C 0.7059(8) 1.0610(3) 0.1109(6) 0.108(6) Uani 1 1 d G . .
C714 C 0.6400(9) 1.0397(4) 0.1251(7) 0.163(10) Uani 1 1 d G . .
H714 H 0.6262 1.0511 0.1670 0.196 Uiso 1 1 calc R . .
C614 C 0.5947(6) 1.0015(4) 0.0766(10) 0.28(2) Uani 1 1 d G . .
H614 H 0.5506 0.9873 0.0861 0.330 Uiso 1 1 calc R . .
C314 C 0.6154(8) 0.9845(3) 0.0140(7) 0.152(11) Uani 1 1 d G . .
H314 H 0.5850 0.9589 -0.0184 0.182 Uiso 1 1 calc R . .
C615 C 1.0967(13) 0.8722(7) 0.4964(13) 0.147(8) Uiso 1 1 d D D .
H615 H 1.0562 0.8759 0.4391 0.176 Uiso 1 1 calc R . .
C115 C 1.1567(13) 0.7769(7) 0.6610(12) 0.177(9) Uiso 1 1 d D . .
C515 C 1.1634(12) 0.9061(6) 0.5382(12) 0.135(7) Uiso 1 1 d D . .
H515 H 1.1641 0.9342 0.5126 0.162 Uiso 1 1 calc R . .
C415 C 1.2228(13) 0.8954(7) 0.6138(13) 0.147(7) Uiso 1 1 d D D .
H415 H 1.2692 0.9162 0.6421 0.176 Uiso 1 1 calc R . .
C215 C 1.1537(12) 0.8208(6) 0.6166(12) 0.110(6) Uiso 1 1 d D D .
C315 C 1.2225(15) 0.8525(8) 0.6586(14) 0.172(9) Uiso 1 1 d D . .
H315 H 1.2670 0.8467 0.7136 0.206 Uiso 1 1 calc R D .
C715 C 1.0909(12) 0.8309(6) 0.5432(12) 0.127(7) Uiso 1 1 d D . .
H715 H 1.0408 0.8120 0.5187 0.152 Uiso 1 1 calc R D .
O15C O 1.0852(12) 0.7529(8) 0.6306(12) 0.136(9) Uiso 0.568(17) 1 d PD D 5
O215 O 1.2314(12) 0.7681(6) 0.7236(12) 0.121(9) Uiso 0.568(17) 1 d PD D 5
O115 O 1.1249(12) 0.7418(7) 0.6143(10) 0.072(8) Uiso 0.432(17) 1 d PD D 6
O15B O 1.1838(19) 0.7760(9) 0.7400(13) 0.127(12) Uiso 0.432(17) 1 d PD D 6
O116 O 0.5390(6) 0.6321(4) 0.4969(5) 0.098(3) Uiso 1 1 d D E 6
O216 O 0.5630(7) 0.5997(3) 0.3973(7) 0.112(4) Uiso 1 1 d D E 6
C116 C 0.5724(7) 0.6042(4) 0.4710(8) 0.080(5) Uiso 1 1 d D E 6
C216 C 0.6322(14) 0.5613(6) 0.5190(13) 0.045(8) Uiso 0.40 1 d PGDU F 7
C316 C 0.6205(17) 0.5203(8) 0.4738(12) 0.140(16) Uiso 0.40 1 d PGDU F 7
H316 H 0.5773 0.5184 0.4171 0.168 Uiso 0.40 1 calc PR F 7
C416 C 0.673(2) 0.4819(6) 0.5135(19) 0.142(16) Uiso 0.40 1 d PGU F 7
H416 H 0.6652 0.4544 0.4833 0.171 Uiso 0.40 1 calc PR F 7
C516 C 0.7375(17) 0.4847(8) 0.5984(19) 0.144(16) Uiso 0.40 1 d PGU F 7
H516 H 0.7728 0.4590 0.6249 0.173 Uiso 0.40 1 calc PR F 7
C616 C 0.7493(14) 0.5258(10) 0.6435(13) 0.126(15) Uiso 0.40 1 d PGU F 7
H616 H 0.7924 0.5276 0.7003 0.151 Uiso 0.40 1 calc PR F 7
C716 C 0.6967(16) 0.5641(7) 0.6038(13) 0.133(15) Uiso 0.40 1 d PGDU F 7
H716 H 0.7045 0.5916 0.6341 0.160 Uiso 0.40 1 calc PR F 7
C2A C 0.6299(10) 0.5724(5) 0.5413(8) 0.066(7) Uiso 0.60 1 d PGDU G 8
C3A C 0.6498(11) 0.5282(6) 0.5236(8) 0.086(8) Uiso 0.60 1 d PGDU G 8
H3A H 0.6278 0.5183 0.4673 0.103 Uiso 0.60 1 calc PR G 8
C4A C 0.7025(12) 0.4987(4) 0.5902(12) 0.129(11) Uiso 0.60 1 d PGU G 8
H4A H 0.7158 0.4691 0.5784 0.155 Uiso 0.60 1 calc PR G 8
C5A C 0.7353(11) 0.5135(6) 0.6743(10) 0.162(13) Uiso 0.60 1 d PGU G 8
H5A H 0.7706 0.4938 0.7189 0.194 Uiso 0.60 1 calc PR G 8
C6A C 0.7155(11) 0.5577(7) 0.6920(7) 0.109(9) Uiso 0.60 1 d PGU G 8
H6A H 0.7375 0.5676 0.7483 0.131 Uiso 0.60 1 calc PR G 8
C7A C 0.6628(11) 0.5872(5) 0.6254(10) 0.095(8) Uiso 0.60 1 d PGDU G 8
H7A H 0.6495 0.6168 0.6372 0.114 Uiso 0.60 1 calc PR G 8
O5W O 0.3234(5) 0.6548(2) 0.0282(4) 0.060(2) Uani 1 1 d . . .
O4W O 1.0337(5) 0.7197(3) 0.4582(5) 0.074(3) Uani 1 1 d . . .
O3W O 1.1042(5) 0.7477(3) 0.3489(4) 0.064(2) Uani 1 1 d . . .
O6W O 0.5008(5) 0.6186(3) 0.1375(5) 0.069(2) Uani 1 1 d . . .
O7W O 1.0864(11) 0.5496(5) 0.0463(10) 0.200(6) Uani 1 1 d . . .
O8W O 0.3167(13) 0.8162(6) 0.3133(11) 0.255(9) Uani 1 1 d . . .
O9W O 0.9537(7) 0.6326(6) 0.6217(6) 0.168(5) Uani 1 1 d . . .
O10W O 0.0806(6) 0.7447(4) -0.1371(6) 0.112(3) Uani 1 1 d . . .
O11W O 0.9120(8) 1.1860(5) 0.2689(8) 0.176(6) Uani 1 1 d . . .
O12W O 0.6874(9) 1.1896(4) 0.2628(8) 0.160(5) Uani 1 1 d . . .
O13W O 0.5425(7) 1.1076(4) 0.4017(8) 0.135(5) Uani 1 1 d . . .
O14W O 0.5303(10) 1.1693(6) 0.2620(8) 0.239(8) Uani 1 1 d . . .
O15W O 0.3281(10) 1.1821(9) 0.2515(9) 0.312(12) 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'
Cu Cu 0.3201 1.2651 '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'
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
O1W Eu1 O14 77.2(2) . . ?
O1W Eu1 O12 84.6(2) . . ?
O14 Eu1 O12 143.9(2) . . ?
O1W Eu1 O111 150.7(3) . . ?
O14 Eu1 O111 76.8(3) . . ?
O12 Eu1 O111 109.3(3) . . ?
O1W Eu1 O13 79.8(2) . . ?
O14 Eu1 O13 72.0(2) . . ?
O12 Eu1 O13 74.3(2) . . ?
O111 Eu1 O13 79.5(3) . . ?
O1W Eu1 O15 84.1(3) . . ?
O14 Eu1 O15 70.1(2) . . ?
O12 Eu1 O15 139.0(2) . . ?
O111 Eu1 O15 99.4(3) . . ?
O13 Eu1 O15 141.2(2) . . ?
O1W Eu1 O211 158.4(3) . . ?
O14 Eu1 O211 123.4(3) . . ?
O12 Eu1 O211 80.9(3) . . ?
O111 Eu1 O211 50.6(3) . . ?
O13 Eu1 O211 111.1(3) . . ?
O15 Eu1 O211 96.5(3) . . ?
O1W Eu1 O11 83.2(2) . . ?
O14 Eu1 O11 138.0(2) . . ?
O12 Eu1 O11 68.3(2) . . ?
O111 Eu1 O11 125.6(3) . . ?
O13 Eu1 O11 140.0(2) . . ?
O15 Eu1 O11 71.31(19) . . ?
O211 Eu1 O11 76.7(3) . . ?
O1W Eu1 C111 174.6(3) . . ?
O14 Eu1 C111 100.3(3) . . ?
O12 Eu1 C111 95.0(3) . . ?
O111 Eu1 C111 25.0(3) . . ?
O13 Eu1 C111 94.9(3) . . ?
O15 Eu1 C111 99.6(3) . . ?
O211 Eu1 C111 25.6(3) . . ?
O11 Eu1 C111 101.6(3) . . ?
O19 Eu2 O2W 87.1(3) . . ?
O19 Eu2 O112 90.4(3) . . ?
O2W Eu2 O112 153.3(3) . . ?
O19 Eu2 O212 100.9(3) . . ?
O2W Eu2 O212 154.6(3) . . ?
O112 Eu2 O212 51.6(3) . . ?
O19 Eu2 O17 142.1(2) . . ?
O2W Eu2 O17 79.4(2) . . ?
O112 Eu2 O17 86.5(3) . . ?
O212 Eu2 O17 106.4(3) . . ?
O19 Eu2 O18 70.1(2) . . ?
O2W Eu2 O18 81.2(2) . . ?
O112 Eu2 O18 73.0(3) . . ?
O212 Eu2 O18 124.2(3) . . ?
O17 Eu2 O18 72.8(2) . . ?
O19 Eu2 O110 70.4(2) . . ?
O2W Eu2 O110 80.2(2) . . ?
O112 Eu2 O110 123.8(3) . . ?
O212 Eu2 O110 79.9(3) . . ?
O17 Eu2 O110 139.6(2) . . ?
O18 Eu2 O110 136.9(2) . . ?
O19 Eu2 O16 141.7(2) . . ?
O2W Eu2 O16 80.1(2) . . ?
O112 Eu2 O16 116.4(3) . . ?
O212 Eu2 O16 78.8(3) . . ?
O17 Eu2 O16 70.5(2) . . ?
O18 Eu2 O16 141.2(2) . . ?
O110 Eu2 O16 71.9(2) . . ?
O19 Eu2 C112 96.7(3) . . ?
O2W Eu2 C112 176.2(3) . . ?
O112 Eu2 C112 27.1(3) . . ?
O212 Eu2 C112 24.5(3) . . ?
O17 Eu2 C112 97.4(3) . . ?
O18 Eu2 C112 99.9(3) . . ?
O110 Eu2 C112 101.2(3) . . ?
O16 Eu2 C112 97.0(3) . . ?
N15 Cu1 O11 92.6(3) . . ?
N15 Cu1 O21 162.9(4) . . ?
O11 Cu1 O21 84.3(3) . . ?
N15 Cu1 N25 80.2(3) . . ?
O11 Cu1 N25 171.5(3) . . ?
O21 Cu1 N25 103.9(3) . . ?
O12 Cu2 N11 90.0(3) . . ?
O12 Cu2 O22 88.9(3) . . ?
N11 Cu2 O22 175.4(4) . . ?
O12 Cu2 N21 170.4(3) . . ?
N11 Cu2 N21 80.5(4) . . ?
O22 Cu2 N21 100.6(3) . . ?
O23 Cu3 O13 83.8(3) . . ?
O23 Cu3 N12 169.9(4) . . ?
O13 Cu3 N12 90.4(3) . . ?
O23 Cu3 N22 103.1(4) . . ?
O13 Cu3 N22 171.7(4) . . ?
N12 Cu3 N22 82.0(4) . . ?
O23 Cu3 O113 99.9(4) . . ?
O13 Cu3 O113 98.7(3) . . ?
N12 Cu3 O113 89.1(3) . . ?
N22 Cu3 O113 84.6(4) . . ?
N13 Cu4 O24 177.1(4) . . ?
N13 Cu4 O14 90.6(4) . . ?
O24 Cu4 O14 86.8(3) . . ?
N13 Cu4 N23 82.1(4) . . ?
O24 Cu4 N23 100.0(3) . . ?
O14 Cu4 N23 163.5(3) . . ?
O25 Cu5 O15 85.9(3) . . ?
O25 Cu5 N14 177.6(4) . . ?
O15 Cu5 N14 92.9(4) . . ?
O25 Cu5 N24 101.1(3) . . ?
O15 Cu5 N24 172.2(3) . . ?
N14 Cu5 N24 80.3(4) . . ?
N17 Cu6 O16 90.4(3) . . ?
N17 Cu6 O26 176.0(4) . . ?
O16 Cu6 O26 85.6(3) . . ?
N17 Cu6 N27 84.4(4) . . ?
O16 Cu6 N27 168.8(4) . . ?
O26 Cu6 N27 99.5(3) . . ?
N18 Cu7 O27 171.4(4) . . ?
N18 Cu7 O17 92.3(3) . . ?
O27 Cu7 O17 84.9(3) . . ?
N18 Cu7 N28 80.0(4) . . ?
O27 Cu7 N28 101.4(4) . . ?
O17 Cu7 N28 167.7(4) . . ?
N18 Cu7 O116 94.1(3) . . ?
O27 Cu7 O116 94.3(4) . . ?
O17 Cu7 O116 96.0(3) . . ?
N28 Cu7 O116 94.1(4) . . ?
O28 Cu8 O18 85.2(3) . . ?
O28 Cu8 N19 173.0(4) . . ?
O18 Cu8 N19 89.4(3) . . ?
O28 Cu8 N29 102.4(3) . . ?
O18 Cu8 N29 168.2(3) . . ?
N19 Cu8 N29 82.3(3) . . ?
O28 Cu8 O8W 85.1(5) . . ?
O18 Cu8 O8W 88.8(5) . . ?
N19 Cu8 O8W 99.2(5) . . ?
N29 Cu8 O8W 100.7(6) . . ?
N110 Cu9 O29 169.2(4) . . ?
N110 Cu9 O19 91.8(3) . . ?
O29 Cu9 O19 85.8(3) . . ?
N110 Cu9 N210 80.5(3) . . ?
O29 Cu9 N210 101.1(3) . . ?
O19 Cu9 N210 171.5(3) . . ?
N16 Cu10 O210 179.8(4) . . ?
N16 Cu10 O110 94.2(3) . . ?
O210 Cu10 O110 85.7(3) . . ?
N16 Cu10 N26 80.1(4) . . ?
O210 Cu10 N26 100.0(3) . . ?
O110 Cu10 N26 174.3(3) . . ?
N11 O11 Cu1 109.9(5) . . ?
N11 O11 Eu1 121.3(5) . . ?
Cu1 O11 Eu1 125.7(3) . . ?
C11 O21 Cu1 107.0(7) . . ?
C11 N11 O11 108.7(8) . . ?
C11 N11 Cu2 126.4(8) . . ?
O11 N11 Cu2 124.6(6) . . ?
C81 C71 C61 122.2(19) . . ?
C81 C71 H71 118.9 . . ?
C61 C71 H71 118.9 . . ?
C21 N21 Cu2 111.4(6) . . ?
C21 N21 H21C 109.4 . . ?
Cu2 N21 H21C 109.4 . . ?
C21 N21 H21D 109.4 . . ?
Cu2 N21 H21D 109.4 . . ?
H21C N21 H21D 108.0 . . ?
C51 C41 C91 122.0(16) . . ?
C51 C41 C31 118.2(15) . . ?
C91 C41 C31 119.8(15) . . ?
C41 C31 C21 114.4(11) . . ?
C41 C31 H31A 108.7 . . ?
C21 C31 H31A 108.7 . . ?
C41 C31 H31B 108.7 . . ?
C21 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
N21 C21 C31 113.1(10) . . ?
N21 C21 C11 110.0(9) . . ?
C31 C21 C11 111.2(10) . . ?
N21 C21 H21 107.4 . . ?
C31 C21 H21 107.4 . . ?
C11 C21 H21 107.4 . . ?
O21 C11 N11 129.8(11) . . ?
O21 C11 C21 123.0(11) . . ?
N11 C11 C21 107.2(9) . . ?
C61 C51 C41 117.7(16) . . ?
C61 C51 H51 121.2 . . ?
C41 C51 H51 121.2 . . ?
C71 C81 C91 120(3) . . ?
C71 C81 H81 119.9 . . ?
C91 C81 H81 119.9 . . ?
C41 C91 C81 116.5(19) . . ?
C41 C91 H91 121.7 . . ?
C81 C91 H91 121.7 . . ?
C51 C61 C71 119.3(19) . . ?
C51 C61 H61 120.3 . . ?
C71 C61 H61 120.3 . . ?
N12 O12 Cu2 107.7(5) . . ?
N12 O12 Eu1 120.7(5) . . ?
Cu2 O12 Eu1 131.0(3) . . ?
C12 N12 O12 113.1(9) . . ?
C12 N12 Cu3 119.6(8) . . ?
O12 N12 Cu3 127.3(6) . . ?
C22 N22 Cu3 113.0(7) . . ?
C22 N22 H22A 109.0 . . ?
Cu3 N22 H22A 109.0 . . ?
C22 N22 H22B 109.0 . . ?
Cu3 N22 H22B 109.0 . . ?
H22A N22 H22B 107.8 . . ?
C12 O22 Cu2 108.8(7) . . ?
O22 C12 N12 121.5(11) . . ?
O22 C12 C22 123.8(10) . . ?
N12 C12 C22 114.3(12) . . ?
C32 C22 N22 113.3(10) . . ?
C32 C22 C12 112.4(10) . . ?
N22 C22 C12 107.6(9) . . ?
C32 C22 H22 107.8 . . ?
N22 C22 H22 107.8 . . ?
C12 C22 H22 107.8 . . ?
C22 C32 C42 110.9(11) . . ?
C22 C32 H32A 109.5 . . ?
C42 C32 H32A 109.5 . . ?
C22 C32 H32B 109.5 . . ?
C42 C32 H32B 109.5 . . ?
H32A C32 H32B 108.0 . . ?
C92 C42 C52 121.3(17) . . ?
C92 C42 C32 119.1(15) . . ?
C52 C42 C32 119.4(13) . . ?
C62 C52 C42 120.8(19) . . ?
C62 C52 H52 119.6 . . ?
C42 C52 H52 119.6 . . ?
C42 C92 C82 112.3(17) . . ?
C42 C92 H92 123.8 . . ?
C82 C92 H92 123.8 . . ?
C82 C72 C62 117(2) . . ?
C82 C72 H72 121.7 . . ?
C62 C72 H72 121.7 . . ?
C52 C62 C72 121(2) . . ?
C52 C62 H62 119.6 . . ?
C72 C62 H62 119.6 . . ?
C72 C82 C92 128(2) . . ?
C72 C82 H82 116.1 . . ?
C92 C82 H82 116.1 . . ?
C13 N13 O13 109.3(8) . . ?
C13 N13 Cu4 125.3(8) . . ?
O13 N13 Cu4 125.3(7) . . ?
N13 O13 Cu3 110.2(5) . . ?
N13 O13 Eu1 123.2(5) . . ?
Cu3 O13 Eu1 126.5(3) . . ?
C13 O23 Cu3 110.0(7) . . ?
O23 C13 N13 125.9(11) . . ?
O23 C13 C23 124.2(11) . . ?
N13 C13 C23 109.8(11) . . ?
C43 C33 C23 115.7(10) . . ?
C43 C33 H33A 108.3 . . ?
C23 C33 H33A 108.3 . . ?
C43 C33 H33B 108.3 . . ?
C23 C33 H33B 108.3 . . ?
H33A C33 H33B 107.4 . . ?
C23 N23 Cu4 109.8(6) . . ?
C23 N23 H23A 109.7 . . ?
Cu4 N23 H23A 109.7 . . ?
C23 N23 H23B 109.7 . . ?
Cu4 N23 H23B 109.7 . . ?
H23A N23 H23B 108.2 . . ?
C43 C53 C63 119.6(19) . . ?
C43 C53 H53 120.2 . . ?
C63 C53 H53 120.2 . . ?
C33 C23 C13 112.8(11) . . ?
C33 C23 N23 114.9(10) . . ?
C13 C23 N23 111.8(10) . . ?
C33 C23 H23 105.5 . . ?
C13 C23 H23 105.5 . . ?
N23 C23 H23 105.5 . . ?
C53 C43 C93 121.9(18) . . ?
C53 C43 C33 123.0(15) . . ?
C93 C43 C33 115.1(15) . . ?
C83 C93 C43 118.6(19) . . ?
C83 C93 H93 120.7 . . ?
C43 C93 H93 120.7 . . ?
C73 C63 C53 116(2) . . ?
C73 C63 H63 121.8 . . ?
C53 C63 H63 121.8 . . ?
C93 C83 C73 118(2) . . ?
C93 C83 H83 120.9 . . ?
C73 C83 H83 120.9 . . ?
C63 C73 C83 124(2) . . ?
C63 C73 H73 118.1 . . ?
C83 C73 H73 118.1 . . ?
O24 C14 N14 119.8(11) . . ?
O24 C14 C24 126.1(10) . . ?
N14 C14 C24 113.9(12) . . ?
N14 O14 Cu4 100.6(5) . . ?
N14 O14 Eu1 128.3(5) . . ?
Cu4 O14 Eu1 124.9(3) . . ?
C24 N24 Cu5 112.5(5) . . ?
C24 N24 H24A 109.1 . . ?
Cu5 N24 H24A 109.1 . . ?
C24 N24 H24B 109.1 . . ?
Cu5 N24 H24B 109.1 . . ?
H24A N24 H24B 107.8 . . ?
C14 O24 Cu4 110.8(6) . . ?
N24 C24 C14 109.5(9) . . ?
N24 C24 C34 115.3(11) . . ?
C14 C24 C34 111.4(10) . . ?
N24 C24 H24 106.7 . . ?
C14 C24 H24 106.7 . . ?
C34 C24 H24 106.7 . . ?
C14 N14 O14 121.5(9) . . ?
C14 N14 Cu5 121.2(10) . . ?
O14 N14 Cu5 117.3(7) . . ?
C24 C34 C44 110.5(11) . . ?
C24 C34 H34A 109.5 . . ?
C44 C34 H34A 109.5 . . ?
C24 C34 H34B 109.5 . . ?
C44 C34 H34B 109.5 . . ?
H34A C34 H34B 108.1 . . ?
C54 C44 C84 120.0 . . ?
C54 C44 C34 118.7(10) . . ?
C84 C44 C34 120.4(11) . . ?
C44 C54 C74 120.0 . . ?
C44 C54 H54 120.0 . . ?
C74 C54 H54 120.0 . . ?
C64 C74 C54 120.0 . . ?
C64 C74 H74 120.0 . . ?
C54 C74 H74 120.0 . . ?
C74 C64 C94 120.0 . . ?
C74 C64 H64 120.0 . . ?
C94 C64 H64 120.0 . . ?
C64 C94 C84 120.0 . . ?
C64 C94 H94 120.0 . . ?
C84 C94 H94 120.0 . . ?
C94 C84 C44 120.0 . . ?
C94 C84 H84 120.0 . . ?
C44 C84 H84 120.0 . . ?
N15 O15 Cu5 107.0(4) . . ?
N15 O15 Eu1 125.6(4) . . ?
Cu5 O15 Eu1 126.4(3) . . ?
C15 N15 O15 116.6(8) . . ?
C15 N15 Cu1 119.8(7) . . ?
O15 N15 Cu1 123.4(5) . . ?
C25 N25 Cu1 112.3(6) . . ?
C25 N25 H25A 109.1 . . ?
Cu1 N25 H25A 109.1 . . ?
C25 N25 H25B 109.1 . . ?
Cu1 N25 H25B 109.1 . . ?
H25A N25 H25B 107.9 . . ?
C35 C25 C15 112.1(10) . . ?
C35 C25 N25 114.0(9) . . ?
C15 C25 N25 105.3(8) . . ?
C35 C25 H25 108.4 . . ?
C15 C25 H25 108.4 . . ?
N25 C25 H25 108.4 . . ?
C15 O25 Cu5 107.8(6) . . ?
N15 C15 O25 122.4(9) . . ?
N15 C15 C25 117.6(10) . . ?
O25 C15 C25 120.0(9) . . ?
C55 C45 C95 112.4(15) . . ?
C55 C45 C35 122.1(14) . . ?
C95 C45 C35 124.6(14) . . ?
C25 C35 C45 116.3(11) . . ?
C25 C35 H35A 108.2 . . ?
C45 C35 H35A 108.2 . . ?
C25 C35 H35B 108.2 . . ?
C45 C35 H35B 108.2 . . ?
H35A C35 H35B 107.4 . . ?
C65 C55 C45 123.7(19) . . ?
C65 C55 H55 118.1 . . ?
C45 C55 H55 118.1 . . ?
C85 C95 C45 126(2) . . ?
C85 C95 H95 117.2 . . ?
C45 C95 H95 117.2 . . ?
C95 C85 C75 112(2) . . ?
C95 C85 H85 124.2 . . ?
C75 C85 H85 124.2 . . ?
C65 C75 C85 124.6(19) . . ?
C65 C75 H75 117.7 . . ?
C85 C75 H75 117.7 . . ?
C55 C65 C75 122(2) . . ?
C55 C65 H65 119.0 . . ?
C75 C65 H65 119.0 . . ?
N16 O16 Cu6 110.3(5) . . ?
N16 O16 Eu2 120.8(5) . . ?
Cu6 O16 Eu2 124.8(3) . . ?
N16 C16 O26 124.9(10) . . ?
N16 C16 C26 114.4(10) . . ?
O26 C16 C26 120.7(9) . . ?
C16 N16 O16 112.5(8) . . ?
C16 N16 Cu10 123.2(8) . . ?
O16 N16 Cu10 124.1(6) . . ?
C16 O26 Cu6 106.4(6) . . ?
C26 N26 Cu10 115.0(6) . . ?
C26 N26 H26A 108.5 . . ?
Cu10 N26 H26A 108.5 . . ?
C26 N26 H26B 108.5 . . ?
Cu10 N26 H26B 108.5 . . ?
H26A N26 H26B 107.5 . . ?
C46 C36 C26 117.2(10) . . ?
C46 C36 H36A 108.0 . . ?
C26 C36 H36A 108.0 . . ?
C46 C36 H36B 108.0 . . ?
C26 C36 H36B 108.0 . . ?
H36A C36 H36B 107.3 . . ?
C56 C46 C96 110.5(14) . . ?
C56 C46 C36 122.0(14) . . ?
C96 C46 C36 127.4(12) . . ?
C86 C96 C46 127.0(15) . . ?
C86 C96 H96 116.5 . . ?
C46 C96 H96 116.5 . . ?
C66 C56 C46 121.9(15) . . ?
C66 C56 H56 119.1 . . ?
C46 C56 H56 119.1 . . ?
C16 C26 N26 107.4(8) . . ?
C16 C26 C36 112.7(10) . . ?
N26 C26 C36 113.3(9) . . ?
C16 C26 H26 107.8 . . ?
N26 C26 H26 107.8 . . ?
C36 C26 H26 107.8 . . ?
C96 C86 C76 116.4(16) . . ?
C96 C86 H86 121.8 . . ?
C76 C86 H86 121.8 . . ?
C76 C66 C56 123.0(17) . . ?
C76 C66 H66 118.5 . . ?
C56 C66 H66 118.5 . . ?
C66 C76 C86 119.1(16) . . ?
C66 C76 H76 120.4 . . ?
C86 C76 H76 120.4 . . ?
N17 O17 Cu7 109.5(5) . . ?
N17 O17 Eu2 123.8(5) . . ?
Cu7 O17 Eu2 126.3(4) . . ?
O17 N17 C17 115.1(9) . . ?
O17 N17 Cu6 127.1(6) . . ?
C17 N17 Cu6 117.6(8) . . ?
O27 C17 C27 129.1(11) . . ?
O27 C17 N17 115.3(10) . . ?
C27 C17 N17 115.1(12) . . ?
C27 N27 Cu6 109.4(6) . . ?
C27 N27 H27A 109.8 . . ?
Cu6 N27 H27A 109.8 . . ?
C27 N27 H27B 109.8 . . ?
Cu6 N27 H27B 109.8 . . ?
H27A N27 H27B 108.2 . . ?
C17 O27 Cu7 115.1(7) . . ?
C17 C27 C37 112.1(11) . . ?
C17 C27 N27 110.9(9) . . ?
C37 C27 N27 112.7(10) . . ?
C17 C27 H27 106.9 . . ?
C37 C27 H27 106.9 . . ?
N27 C27 H27 106.9 . . ?
C27 C37 C57 113.6(9) . . ?
C27 C37 H37A 108.9 . . ?
C57 C37 H37A 108.9 . . ?
C27 C37 H37B 108.9 . . ?
C57 C37 H37B 108.9 . . ?
H37A C37 H37B 107.7 . . ?
C47 C57 C87 120.0 . . ?
C47 C57 C37 122.0(11) . . ?
C87 C57 C37 117.2(11) . . ?
C67 C47 C57 120.0 . . ?
C67 C47 H47 120.0 . . ?
C57 C47 H47 120.0 . . ?
C47 C67 C77 120.0 . . ?
C47 C67 H67 120.0 . . ?
C77 C67 H67 120.0 . . ?
C67 C77 C97 120.0 . . ?
C67 C77 H77 120.0 . . ?
C97 C77 H77 120.0 . . ?
C77 C97 C87 120.0 . . ?
C77 C97 H97 120.0 . . ?
C87 C97 H97 120.0 . . ?
C97 C87 C57 120.0 . . ?
C97 C87 H87 120.0 . . ?
C57 C87 H87 120.0 . . ?
N18 O18 Cu8 107.3(5) . . ?
N18 O18 Eu2 120.7(5) . . ?
Cu8 O18 Eu2 126.0(3) . . ?
C18 O28 Cu8 113.1(7) . . ?
C18 N18 O18 112.6(8) . . ?
C18 N18 Cu7 122.6(8) . . ?
O18 N18 Cu7 124.2(6) . . ?
N28 C28 C18 112.6(9) . . ?
N28 C28 C38 113.3(10) . . ?
C18 C28 C38 115.4(11) . . ?
N28 C28 H28 104.8 . . ?
C18 C28 H28 104.8 . . ?
C38 C28 H28 104.8 . . ?
O28 C18 N18 120.3(10) . . ?
O28 C18 C28 129.2(11) . . ?
N18 C18 C28 110.5(9) . . ?
C28 N28 Cu7 114.1(6) . . ?
C28 N28 H28A 108.7 . . ?
Cu7 N28 H28A 108.7 . . ?
C28 N28 H28B 108.7 . . ?
Cu7 N28 H28B 108.7 . . ?
H28A N28 H28B 107.6 . . ?
C48 C38 C48A 14.1(17) . . ?
C48 C38 C28 118.4(14) . . ?
C48A C38 C28 114.9(15) . . ?
C48 C38 H38A 107.7 . . ?
C48A C38 H38A 120.7 . . ?
C28 C38 H38A 107.7 . . ?
C48 C38 H38B 107.7 . . ?
C48A C38 H38B 97.3 . . ?
C28 C38 H38B 107.7 . . ?
H38A C38 H38B 107.1 . . ?
C38 C48 C58 124.7(18) . . ?
C38 C48 C98 115.3(18) . . ?
C58 C48 C98 120.0 . . ?
C48 C58 C68 120.0 . . ?
C48 C58 H58 120.0 . . ?
C68 C58 H58 120.0 . . ?
C78 C68 C58 120.0 . . ?
C78 C68 H68 120.0 . . ?
C58 C68 H68 120.0 . . ?
C88 C78 C68 120.0 . . ?
C88 C78 H78 120.0 . . ?
C68 C78 H78 120.0 . . ?
C78 C88 C98 120.0 . . ?
C78 C88 H88 120.0 . . ?
C98 C88 H88 120.0 . . ?
C88 C98 C48 120.0 . . ?
C88 C98 H98 120.0 . . ?
C48 C98 H98 120.0 . . ?
C98A C48A C78A 120.0 . . ?
C98A C48A C38 117(2) . . ?
C78A C48A C38 123(2) . . ?
C68A C98A C48A 120.0 . . ?
C68A C98A H98A 120.0 . . ?
C48A C98A H98A 120.0 . . ?
C98A C68A C88A 120.0 . . ?
C98A C68A H68A 120.0 . . ?
C88A C68A H68A 120.0 . . ?
C58A C88A C68A 120.0 . . ?
C58A C88A H88A 120.0 . . ?
C68A C88A H88A 120.0 . . ?
C78A C58A C88A 120.0 . . ?
C78A C58A H58A 120.0 . . ?
C88A C58A H58A 120.0 . . ?
C58A C78A C48A 120.0 . . ?
C58A C78A H78A 120.0 . . ?
C48A C78A H78A 120.0 . . ?
N19 O19 Cu9 105.0(4) . . ?
N19 O19 Eu2 126.6(5) . . ?
Cu9 O19 Eu2 128.2(3) . . ?
C19 O29 Cu9 106.3(6) . . ?
C19 N19 O19 116.3(7) . . ?
C19 N19 Cu8 120.9(7) . . ?
O19 N19 Cu8 122.8(5) . . ?
C29 N29 Cu8 113.0(6) . . ?
C29 N29 H29A 109.0 . . ?
Cu8 N29 H29A 109.0 . . ?
C29 N29 H29B 109.0 . . ?
Cu8 N29 H29B 109.0 . . ?
H29A N29 H29B 107.8 . . ?
N29 C29 C39 111.1(9) . . ?
N29 C29 C19 108.7(9) . . ?
C39 C29 C19 110.1(10) . . ?
N29 C29 H29 109.0 . . ?
C39 C29 H29 109.0 . . ?
C19 C29 H29 109.0 . . ?
O29 C19 N19 125.8(9) . . ?
O29 C19 C29 119.9(9) . . ?
N19 C19 C29 114.2(10) . . ?
C59 C49 C99 124.2(17) . . ?
C59 C49 C39 123.3(15) . . ?
C99 C49 C39 112.5(16) . . ?
C49 C39 C29 116.4(11) . . ?
C49 C39 H39A 108.2 . . ?
C29 C39 H39A 108.2 . . ?
C49 C39 H39B 108.2 . . ?
C29 C39 H39B 108.2 . . ?
H39A C39 H39B 107.3 . . ?
C69 C59 C49 126(2) . . ?
C69 C59 H59 116.8 . . ?
C49 C59 H59 116.8 . . ?
C49 C99 C89 115.4(19) . . ?
C49 C99 H99 122.3 . . ?
C89 C99 H99 122.3 . . ?
C99 C89 C79 114.6(19) . . ?
C99 C89 H89 122.7 . . ?
C79 C89 H89 122.7 . . ?
C59 C69 C79 116(2) . . ?
C59 C69 H69 121.9 . . ?
C79 C69 H69 121.9 . . ?
C69 C79 C89 123(2) . . ?
C69 C79 H79 118.6 . . ?
C89 C79 H79 118.6 . . ?
N110 O110 Cu10 104.9(5) . . ?
N110 O110 Eu2 128.6(5) . . ?
Cu10 O110 Eu2 123.5(3) . . ?
C110 O210 Cu10 108.0(5) . . ?
C110 N110 O110 117.5(8) . . ?
C110 N110 Cu9 122.6(7) . . ?
O110 N110 Cu9 119.9(6) . . ?
N110 C110 O210 123.8(9) . . ?
N110 C110 C210 113.5(9) . . ?
O210 C110 C210 122.6(8) . . ?
C210 N210 Cu9 112.1(6) . . ?
C210 N210 H21A 109.2 . . ?
Cu9 N210 H21A 109.2 . . ?
C210 N210 H21B 109.2 . . ?
Cu9 N210 H21B 109.2 . . ?
H21A N210 H21B 107.9 . . ?
N210 C210 C310 112.2(10) . . ?
N210 C210 C110 109.8(8) . . ?
C310 C210 C110 109.1(9) . . ?
N210 C210 H210 108.5 . . ?
C310 C210 H210 108.5 . . ?
C110 C210 H210 108.5 . . ?
C410 C310 C210 113.5(10) . . ?
C410 C310 H31C 108.9 . . ?
C210 C310 H31C 108.9 . . ?
C410 C310 H31D 108.9 . . ?
C210 C310 H31D 108.9 . . ?
H31C C310 H31D 107.7 . . ?
C510 C410 C910 123.5(17) . . ?
C510 C410 C310 116.5(16) . . ?
C910 C410 C310 119.9(15) . . ?
C410 C510 C610 114.0(16) . . ?
C410 C510 H510 123.0 . . ?
C610 C510 H510 123.0 . . ?
C810 C910 C410 124.5(18) . . ?
C810 C910 H910 117.7 . . ?
C410 C910 H910 117.7 . . ?
C910 C810 C710 116.7(19) . . ?
C910 C810 H810 121.7 . . ?
C710 C810 H810 121.7 . . ?
C610 C710 C810 120.6(18) . . ?
C610 C710 H710 119.7 . . ?
C810 C710 H710 119.7 . . ?
C710 C610 C510 120.7(17) . . ?
C710 C610 H610 119.6 . . ?
C510 C610 H610 119.6 . . ?
O111 C111 O211 116.6(16) . . ?
O111 C111 C211 122.3(12) . . ?
O211 C111 C211 121.0(13) . . ?
O111 C111 Eu1 57.0(9) . . ?
O211 C111 Eu1 59.6(8) . . ?
C211 C111 Eu1 179.2(9) . . ?
C111 O211 Eu1 94.8(9) . . ?
C111 O111 Eu1 97.9(9) . . ?
C711 C211 C311 118.3(15) . . ?
C711 C211 C111 122.7(14) . . ?
C311 C211 C111 118.8(14) . . ?
C411 C311 C211 115.0(16) . . ?
C411 C311 H311 122.5 . . ?
C211 C311 H311 122.5 . . ?
C211 C711 C611 122.9(18) . . ?
C211 C711 H711 118.5 . . ?
C611 C711 H711 118.5 . . ?
C511 C611 C711 121.2(18) . . ?
C511 C611 H611 119.4 . . ?
C711 C611 H611 119.4 . . ?
C511 C411 C311 124.7(19) . . ?
C511 C411 H411 117.6 . . ?
C311 C411 H411 117.6 . . ?
C411 C511 C611 117.5(19) . . ?
C411 C511 H511 121.2 . . ?
C611 C511 H511 121.2 . . ?
C112 O212 Eu2 96.0(8) . . ?
C112 O112 Eu2 94.0(8) . . ?
C712 C212 C312 121.2(14) . . ?
C712 C212 C112 120.3(12) . . ?
C312 C212 C112 118.5(13) . . ?
C312 C412 C512 118.6(18) . . ?
C312 C412 H412 120.7 . . ?
C512 C412 H412 120.7 . . ?
O212 C112 O112 118.4(12) . . ?
O212 C112 C212 122.4(12) . . ?
O112 C112 C212 119.2(12) . . ?
O212 C112 Eu2 59.5(7) . . ?
O112 C112 Eu2 58.9(6) . . ?
C212 C112 Eu2 177.7(9) . . ?
C412 C312 C212 123.6(16) . . ?
C412 C312 H312 118.2 . . ?
C212 C312 H312 118.2 . . ?
C412 C512 C612 118.9(17) . . ?
C412 C512 H512 120.6 . . ?
C612 C512 H512 120.6 . . ?
C712 C612 C512 118.4(18) . . ?
C712 C612 H612 120.8 . . ?
C512 C612 H612 120.8 . . ?
C212 C712 C612 119.0(16) . . ?
C212 C712 H712 120.5 . . ?
C612 C712 H712 120.5 . . ?
C113 O113 Cu3 139.1(9) . . ?
O113 C113 O213 126.0(12) . . ?
O113 C113 C213 117.7(13) . . ?
O213 C113 C213 116.3(14) . . ?
O113 C113 C2B 114.2(15) . . ?
O213 C113 C2B 115.0(14) . . ?
C213 C113 C2B 22.7(10) . . ?
C313 C213 C713 120.0 . . ?
C313 C213 C113 123.6(14) . . ?
C713 C213 C113 116.4(14) . . ?
C213 C313 C413 120.0 . . ?
C213 C313 H313 120.0 . . ?
C413 C313 H313 120.0 . . ?
C513 C413 C313 120.0 . . ?
C513 C413 H413 120.0 . . ?
C313 C413 H413 120.0 . . ?
C413 C513 C613 120.0 . . ?
C413 C513 H513 120.0 . . ?
C613 C513 H513 120.0 . . ?
C713 C613 C513 120.0 . . ?
C713 C613 H613 120.0 . . ?
C513 C613 H613 120.0 . . ?
C613 C713 C213 120.0 . . ?
C613 C713 H713 120.0 . . ?
C213 C713 H713 120.0 . . ?
C2B C3B C6B 120.0 . . ?
C2B C3B H3B 120.0 . . ?
C6B C3B H3B 120.0 . . ?
C7B C2B C3B 120.0 . . ?
C7B C2B C113 122.1(19) . . ?
C3B C2B C113 117.9(19) . . ?
C2B C7B C4B 120.0 . . ?
C2B C7B H7B 120.0 . . ?
C4B C7B H7B 120.0 . . ?
C5B C4B C7B 120.0 . . ?
C5B C4B H4B 120.0 . . ?
C7B C4B H4B 120.0 . . ?
C4B C5B C6B 120.0 . . ?
C4B C5B H5B 120.0 . . ?
C6B C5B H5B 120.0 . . ?
C5B C6B C3B 120.0 . . ?
C5B C6B H6B 120.0 . . ?
C3B C6B H6B 120.0 . . ?
O114 C114 O214 119.6(15) . . ?
O114 C114 C414 121.2(15) . . ?
O214 C114 C414 119.2(17) . . ?
C514 C214 C314 120.0 . . ?
C514 C214 H214 120.0 . . ?
C314 C214 H214 120.0 . . ?
C414 C514 C214 120.0 . . ?
C414 C514 H514 120.0 . . ?
C214 C514 H514 120.0 . . ?
C514 C414 C714 120.0 . . ?
C514 C414 C114 122.4(13) . . ?
C714 C414 C114 117.5(13) . . ?
C614 C714 C414 120.0 . . ?
C614 C714 H714 120.0 . . ?
C414 C714 H714 120.0 . . ?
C714 C614 C314 120.0 . . ?
C714 C614 H614 120.0 . . ?
C314 C614 H614 120.0 . . ?
C614 C314 C214 120.0 . . ?
C614 C314 H314 120.0 . . ?
C214 C314 H314 120.0 . . ?
C515 C615 C715 120.5(19) . . ?
C515 C615 H615 119.8 . . ?
C715 C615 H615 119.8 . . ?
O15B C115 O115 123(2) . . ?
O15B C115 O215 46.7(15) . . ?
O115 C115 O215 111(2) . . ?
O15B C115 O15C 104(2) . . ?
O115 C115 O15C 41.5(12) . . ?
O215 C115 O15C 129(2) . . ?
O15B C115 C215 121(2) . . ?
O115 C115 C215 116.4(19) . . ?
O215 C115 C215 114.3(19) . . ?
O15C C115 C215 117(2) . . ?
C415 C515 C615 115(2) . . ?
C415 C515 H515 122.3 . . ?
C615 C515 H515 122.3 . . ?
C515 C415 C315 125(2) . . ?
C515 C415 H415 117.7 . . ?
C315 C415 H415 117.7 . . ?
C715 C215 C315 119(2) . . ?
C715 C215 C115 123(2) . . ?
C315 C215 C115 117.7(19) . . ?
C215 C315 C415 118(2) . . ?
C215 C315 H315 120.8 . . ?
C415 C315 H315 120.8 . . ?
C215 C715 C615 121(2) . . ?
C215 C715 H715 119.5 . . ?
C615 C715 H715 119.5 . . ?
C116 O116 Cu7 133.7(7) . . ?
O116 C116 O216 128.1(12) . . ?
C316 C216 C716 120.0 . . ?
C216 C316 C416 120.0 . . ?
C216 C316 H316 120.0 . . ?
C416 C316 H316 120.0 . . ?
C516 C416 C316 120.0 . . ?
C516 C416 H416 120.0 . . ?
C316 C416 H416 120.0 . . ?
C616 C516 C416 120.0 . . ?
C616 C516 H516 120.0 . . ?
C416 C516 H516 120.0 . . ?
C716 C616 C516 120.0 . . ?
C716 C616 H616 120.0 . . ?
C516 C616 H616 120.0 . . ?
C616 C716 C216 120.0 . . ?
C616 C716 H716 120.0 . . ?
C216 C716 H716 120.0 . . ?
C3A C2A C7A 120.0 . . ?
C2A C3A C4A 120.0 . . ?
C2A C3A H3A 120.0 . . ?
C4A C3A H3A 120.0 . . ?
C5A C4A C3A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C3A C4A H4A 120.0 . . ?
C6A C5A C4A 120.0 . . ?
C6A C5A H5A 120.0 . . ?
C4A C5A H5A 120.0 . . ?
C5A C6A C7A 120.0 . . ?
C5A C6A H6A 120.0 . . ?
C7A C6A H6A 120.0 . . ?
C6A C7A C2A 120.0 . . ?
C6A C7A H7A 120.0 . . ?
C2A C7A H7A 120.0 . . ?
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
Eu1 O1W 2.357(8) . ?
Eu1 O14 2.409(7) . ?
Eu1 O12 2.412(7) . ?
Eu1 O111 2.425(9) . ?
Eu1 O13 2.429(6) . ?
Eu1 O15 2.453(6) . ?
Eu1 O211 2.478(8) . ?
Eu1 O11 2.480(6) . ?
Eu1 C111 2.862(17) . ?
Eu2 O19 2.387(6) . ?
Eu2 O2W 2.389(8) . ?
Eu2 O112 2.397(9) . ?
Eu2 O212 2.418(10) . ?
Eu2 O17 2.422(7) . ?
Eu2 O18 2.440(7) . ?
Eu2 O110 2.444(6) . ?
Eu2 O16 2.499(6) . ?
Eu2 C112 2.792(11) . ?
Cu1 N15 1.917(7) . ?
Cu1 O11 1.918(6) . ?
Cu1 O21 1.942(7) . ?
Cu1 N25 2.004(9) . ?
Cu2 O12 1.836(7) . ?
Cu2 N11 1.850(8) . ?
Cu2 O22 1.893(7) . ?
Cu2 N21 1.999(8) . ?
Cu3 O23 1.900(8) . ?
Cu3 O13 1.917(7) . ?
Cu3 N12 1.918(8) . ?
Cu3 N22 2.032(9) . ?
Cu3 O113 2.325(10) . ?
Cu4 N13 1.854(8) . ?
Cu4 O24 1.902(7) . ?
Cu4 O14 1.971(7) . ?
Cu4 N23 1.998(9) . ?
Cu5 O25 1.919(7) . ?
Cu5 O15 1.921(6) . ?
Cu5 N14 1.952(8) . ?
Cu5 N24 1.992(8) . ?
Cu6 N17 1.856(8) . ?
Cu6 O16 1.910(7) . ?
Cu6 O26 1.951(7) . ?
Cu6 N27 2.003(9) . ?
Cu7 N18 1.875(9) . ?
Cu7 O27 1.906(8) . ?
Cu7 O17 1.919(7) . ?
Cu7 N28 1.993(9) . ?
Cu7 O116 2.402(11) . ?
Cu8 O28 1.882(7) . ?
Cu8 O18 1.917(7) . ?
Cu8 N19 1.936(7) . ?
Cu8 N29 1.997(8) . ?
Cu8 O8W 2.355(17) . ?
Cu9 N110 1.924(7) . ?
Cu9 O29 1.934(6) . ?
Cu9 O19 1.948(6) . ?
Cu9 N210 2.041(8) . ?
Cu10 N16 1.853(8) . ?
Cu10 O210 1.885(6) . ?
Cu10 O110 1.943(6) . ?
Cu10 N26 1.947(8) . ?
O11 N11 1.439(9) . ?
O21 C11 1.221(11) . ?
N11 C11 1.309(12) . ?
C71 C81 1.26(3) . ?
C71 C61 1.43(3) . ?
C71 H71 0.9300 . ?
N21 C21 1.459(12) . ?
N21 H21C 0.9000 . ?
N21 H21D 0.9000 . ?
C41 C51 1.389(18) . ?
C41 C91 1.399(18) . ?
C41 C31 1.482(17) . ?
C31 C21 1.541(16) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C21 C11 1.577(15) . ?
C21 H21 0.9800 . ?
C51 C61 1.33(2) . ?
C51 H51 0.9300 . ?
C81 C91 1.40(2) . ?
C81 H81 0.9300 . ?
C91 H91 0.9300 . ?
C61 H61 0.9300 . ?
O12 N12 1.442(9) . ?
N12 C12 1.376(12) . ?
N22 C22 1.516(13) . ?
N22 H22A 0.9000 . ?
N22 H22B 0.9000 . ?
O22 C12 1.254(14) . ?
C12 C22 1.528(15) . ?
C22 C32 1.461(15) . ?
C22 H22 0.9800 . ?
C32 C42 1.642(18) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C42 C92 1.315(18) . ?
C42 C52 1.362(17) . ?
C52 C62 1.35(2) . ?
C52 H52 0.9300 . ?
C92 C82 1.52(2) . ?
C92 H92 0.9300 . ?
C72 C82 1.19(2) . ?
C72 C62 1.39(3) . ?
C72 H72 0.9300 . ?
C62 H62 0.9300 . ?
C82 H82 0.9300 . ?
N13 C13 1.308(12) . ?
N13 O13 1.452(9) . ?
O23 C13 1.256(13) . ?
C13 C23 1.510(14) . ?
C33 C43 1.455(17) . ?
C33 C23 1.509(15) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
N23 C23 1.521(14) . ?
N23 H23A 0.9000 . ?
N23 H23B 0.9000 . ?
C53 C43 1.278(18) . ?
C53 C63 1.45(2) . ?
C53 H53 0.9300 . ?
C23 H23 0.9800 . ?
C43 C93 1.382(18) . ?
C93 C83 1.34(3) . ?
C93 H93 0.9300 . ?
C63 C73 1.29(2) . ?
C63 H63 0.9300 . ?
C83 C73 1.37(3) . ?
C83 H83 0.9300 . ?
C73 H73 0.9300 . ?
C14 O24 1.264(12) . ?
C14 N14 1.268(11) . ?
C14 C24 1.504(14) . ?
O14 N14 1.458(11) . ?
N24 C24 1.486(13) . ?
N24 H24A 0.9000 . ?
N24 H24B 0.9000 . ?
C24 C34 1.527(15) . ?
C24 H24 0.9800 . ?
C34 C44 1.687(17) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C44 C54 1.3900 . ?
C44 C84 1.3900 . ?
C54 C74 1.3900 . ?
C54 H54 0.9300 . ?
C74 C64 1.3900 . ?
C74 H74 0.9300 . ?
C64 C94 1.3900 . ?
C64 H64 0.9300 . ?
C94 C84 1.3900 . ?
C94 H94 0.9300 . ?
C84 H84 0.9300 . ?
O15 N15 1.404(8) . ?
N15 C15 1.277(10) . ?
N25 C25 1.521(12) . ?
N25 H25A 0.9000 . ?
N25 H25B 0.9000 . ?
C25 C35 1.436(15) . ?
C25 C15 1.492(12) . ?
C25 H25 0.9800 . ?
O25 C15 1.314(11) . ?
C45 C55 1.425(17) . ?
C45 C95 1.50(2) . ?
C45 C35 1.524(17) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C55 C65 1.232(19) . ?
C55 H55 0.9300 . ?
C95 C85 1.35(2) . ?
C95 H95 0.9300 . ?
C85 C75 1.43(2) . ?
C85 H85 0.9300 . ?
C75 C65 1.36(2) . ?
C75 H75 0.9300 . ?
C65 H65 0.9300 . ?
O16 N16 1.446(9) . ?
C16 N16 1.279(11) . ?
C16 O26 1.360(11) . ?
C16 C26 1.461(13) . ?
N26 C26 1.486(11) . ?
N26 H26A 0.9000 . ?
N26 H26B 0.9000 . ?
C36 C46 1.511(16) . ?
C36 C26 1.565(15) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C46 C56 1.397(17) . ?
C46 C96 1.397(16) . ?
C96 C86 1.274(16) . ?
C96 H96 0.9300 . ?
C56 C66 1.365(19) . ?
C56 H56 0.9300 . ?
C26 H26 0.9800 . ?
C86 C76 1.43(2) . ?
C86 H86 0.9300 . ?
C66 C76 1.21(2) . ?
C66 H66 0.9300 . ?
C76 H76 0.9300 . ?
O17 N17 1.412(10) . ?
N17 C17 1.433(13) . ?
C17 O27 1.281(14) . ?
C17 C27 1.411(15) . ?
N27 C27 1.553(13) . ?
N27 H27A 0.9000 . ?
N27 H27B 0.9000 . ?
C27 C37 1.513(15) . ?
C27 H27 0.9800 . ?
C37 C57 1.552(14) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C57 C47 1.3900 . ?
C57 C87 1.3900 . ?
C47 C67 1.3900 . ?
C47 H47 0.9300 . ?
C67 C77 1.3900 . ?
C67 H67 0.9300 . ?
C77 C97 1.3900 . ?
C77 H77 0.9300 . ?
C97 C87 1.3900 . ?
C97 H97 0.9300 . ?
C87 H87 0.9300 . ?
O18 N18 1.467(10) . ?
O28 C18 1.253(11) . ?
N18 C18 1.359(12) . ?
C28 N28 1.434(13) . ?
C28 C18 1.460(13) . ?
C28 C38 1.593(15) . ?
C28 H28 0.9800 . ?
N28 H28A 0.9000 . ?
N28 H28B 0.9000 . ?
C38 C48 1.37(2) . ?
C38 C48A 1.562(15) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C48 C58 1.3900 . ?
C48 C98 1.3900 . ?
C58 C68 1.3900 . ?
C58 H58 0.9300 . ?
C68 C78 1.3900 . ?
C68 H68 0.9300 . ?
C78 C88 1.3900 . ?
C78 H78 0.9300 . ?
C88 C98 1.3900 . ?
C88 H88 0.9300 . ?
C98 H98 0.9300 . ?
C48A C98A 1.3900 . ?
C48A C78A 1.3900 . ?
C98A C68A 1.3900 . ?
C98A H98A 0.9300 . ?
C68A C88A 1.3900 . ?
C68A H68A 0.9300 . ?
C88A C58A 1.3900 . ?
C88A H88A 0.9300 . ?
C58A C78A 1.3900 . ?
C58A H58A 0.9300 . ?
C78A H78A 0.9300 . ?
O19 N19 1.390(8) . ?
O29 C19 1.241(11) . ?
N19 C19 1.290(11) . ?
N29 C29 1.509(12) . ?
N29 H29A 0.9000 . ?
N29 H29B 0.9000 . ?
C29 C39 1.534(15) . ?
C29 C19 1.555(14) . ?
C29 H29 0.9800 . ?
C49 C59 1.35(2) . ?
C49 C99 1.419(19) . ?
C49 C39 1.439(17) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C59 C69 1.34(2) . ?
C59 H59 0.9300 . ?
C99 C89 1.50(3) . ?
C99 H99 0.9300 . ?
C89 C79 1.56(3) . ?
C89 H89 0.9300 . ?
C69 C79 1.39(3) . ?
C69 H69 0.9300 . ?
C79 H79 0.9300 . ?
O110 N110 1.391(8) . ?
O210 C110 1.277(10) . ?
N110 C110 1.244(10) . ?
C110 C210 1.564(13) . ?
N210 C210 1.443(12) . ?
N210 H21A 0.9000 . ?
N210 H21B 0.9000 . ?
C210 C310 1.535(15) . ?
C210 H210 0.9800 . ?
C310 C410 1.522(17) . ?
C310 H31C 0.9700 . ?
C310 H31D 0.9700 . ?
C410 C510 1.292(18) . ?
C410 C910 1.361(17) . ?
C510 C610 1.53(2) . ?
C510 H510 0.9300 . ?
C910 C810 1.35(2) . ?
C910 H910 0.9300 . ?
C810 C710 1.39(2) . ?
C810 H810 0.9300 . ?
C710 C610 1.35(2) . ?
C710 H710 0.9300 . ?
C610 H610 0.9300 . ?
C111 O111 1.223(14) . ?
C111 O211 1.239(13) . ?
C111 C211 1.518(18) . ?
C211 C711 1.276(16) . ?
C211 C311 1.421(18) . ?
C311 C411 1.387(19) . ?
C311 H311 0.9300 . ?
C711 C611 1.36(2) . ?
C711 H711 0.9300 . ?
C611 C511 1.31(2) . ?
C611 H611 0.9300 . ?
C411 C511 1.30(2) . ?
C411 H411 0.9300 . ?
C511 H511 0.9300 . ?
O212 C112 1.166(12) . ?
O112 C112 1.275(13) . ?
C212 C712 1.340(16) . ?
C212 C312 1.358(17) . ?
C212 C112 1.529(16) . ?
C412 C312 1.306(19) . ?
C412 C512 1.37(2) . ?
C412 H412 0.9300 . ?
C312 H312 0.9300 . ?
C512 C612 1.45(2) . ?
C512 H512 0.9300 . ?
C612 C712 1.371(19) . ?
C612 H612 0.9300 . ?
C712 H712 0.9300 . ?
O113 C113 1.239(14) . ?
O213 C113 1.253(14) . ?
C113 C213 1.481(13) . ?
C113 C2B 1.563(15) . ?
C213 C313 1.3900 . ?
C213 C713 1.3900 . ?
C313 C413 1.3900 . ?
C313 H313 0.9300 . ?
C413 C513 1.3900 . ?
C413 H413 0.9300 . ?
C513 C613 1.3900 . ?
C513 H513 0.9300 . ?
C613 C713 1.3900 . ?
C613 H613 0.9300 . ?
C713 H713 0.9300 . ?
C3B C2B 1.3900 . ?
C3B C6B 1.3900 . ?
C3B H3B 0.9300 . ?
C2B C7B 1.3900 . ?
C7B C4B 1.3900 . ?
C7B H7B 0.9300 . ?
C4B C5B 1.3900 . ?
C4B H4B 0.9300 . ?
C5B C6B 1.3900 . ?
C5B H5B 0.9300 . ?
C6B H6B 0.9300 . ?
O214 C114 1.267(17) . ?
C114 O114 1.214(19) . ?
C114 C414 1.541(17) . ?
C214 C514 1.3900 . ?
C214 C314 1.3900 . ?
C214 H214 0.9300 . ?
C514 C414 1.3900 . ?
C514 H514 0.9300 . ?
C414 C714 1.3900 . ?
C714 C614 1.3900 . ?
C714 H714 0.9300 . ?
C614 C314 1.3900 . ?
C614 H614 0.9300 . ?
C314 H314 0.9300 . ?
C615 C515 1.42(2) . ?
C615 C715 1.48(2) . ?
C615 H615 0.9300 . ?
C115 O15B 1.250(17) . ?
C115 O115 1.259(16) . ?
C115 O215 1.264(16) . ?
C115 O15C 1.277(16) . ?
C115 C215 1.48(2) . ?
C515 C415 1.28(2) . ?
C515 H515 0.9300 . ?
C415 C315 1.47(2) . ?
C415 H415 0.9300 . ?
C215 C715 1.274(19) . ?
C215 C315 1.39(2) . ?
C315 H315 0.9300 . ?
C715 H715 0.9300 . ?
O116 C116 1.188(13) . ?
O216 C116 1.240(14) . ?
C216 C316 1.3900 . ?
C216 C716 1.3900 . ?
C316 C416 1.3900 . ?
C316 H316 0.9300 . ?
C416 C516 1.3900 . ?
C416 H416 0.9300 . ?
C516 C616 1.3900 . ?
C516 H516 0.9300 . ?
C616 C716 1.3900 . ?
C616 H616 0.9300 . ?
C716 H716 0.9300 . ?
C2A C3A 1.3900 . ?
C2A C7A 1.3900 . ?
C3A C4A 1.3900 . ?
C3A H3A 0.9300 . ?
C4A C5A 1.3900 . ?
C4A H4A 0.9300 . ?
C5A C6A 1.3900 . ?
C5A H5A 0.9300 . ?
C6A C7A 1.3900 . ?
C6A H6A 0.9300 . ?
C7A H7A 0.9300 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N21 H21C O16 0.90 2.27 3.137(12) 161.1 .
N22 H22B O15W 0.90 2.57 3.088(16) 117.2 2_645
N23 H23B O114 0.90 2.74 3.388(16) 129.6 2_745
N23 H23A O10W 0.90 2.21 3.038(15) 153.4 1_655
N24 H24B O216 0.90 2.68 3.214(13) 119.2 1_655
N24 H24A O18 0.90 2.26 3.091(12) 152.8 1_655
N25 H25B O214 0.90 2.68 3.275(14) 124.1 2_746
N25 H25A O115 0.90 2.39 3.24(2) 158.4 .
N26 H26A O113 0.90 2.35 3.019(11) 131.1 .
N27 H27A O9W 0.90 2.04 2.896(18) 159.3 .
N28 H28A O14W 0.90 2.56 3.254(16) 134.9 2_646
N29 H29A O14 0.90 2.29 3.132(12) 155.0 1_455
N210 H21B O15B 0.90 2.53 3.26(3) 138.3 1_454
