#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:50:43 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/17/7041702.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_7041702
loop_
_publ_author_name
'Mikhalyova, Elena A.'
'Yakovenko, Anastasiya V.'
'Zeller, Matthias'
'Gavrilenko, Konstantin S.'
'Kiskin, Mikhail A.'
'Smola, Sergey S.'
'Dotsenko, Vladimir P.'
'Eremenko, Igor L.'
'Addison, Anthony W.'
'Pavlishchuk, Vitaly V.'
_publ_section_title
;
 Crystal structures and intense luminescence of
 tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with
 carboxylate co-ligands.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3457
_journal_page_last               3469
_journal_paper_doi               10.1039/c6dt04757b
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety
'C60 H48 B2 Eu2 N18 O10, 6(C H4 O), 0.968(H2 O)'
_chemical_formula_sum            'C66 H73.94 B2 Eu2 N18 O16.97'
_chemical_formula_weight         1718.41
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-11-22 deposited with the CCDC.
2017-01-16 downloaded from the CCDC.
;
_cell_angle_alpha                111.528(3)
_cell_angle_beta                 116.559(2)
_cell_angle_gamma                94.384(3)
_cell_formula_units_Z            1
_cell_length_a                   12.4495(18)
_cell_length_b                   13.516(3)
_cell_length_c                   13.5291(19)
_cell_measurement_reflns_used    9276
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.63
_cell_measurement_theta_min      2.72
_cell_volume                     1813.4(5)
_computing_cell_refinement       'Apex2 v2011.2-0'
_computing_data_collection       'Apex2 v2011.2-0 (Bruker, 2011)'
_computing_data_reduction        'SAINT, V7.66A (Bruker, 2011)'
_computing_structure_refinement
;  
SHELXL-2014/7 (Sheldrick, 2015), 
SHELXLE Rev780 (Hübschle et al., 2011)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.899
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24578
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.899
_diffrn_reflns_theta_full        28.000
_diffrn_reflns_theta_max         31.749
_diffrn_reflns_theta_min         1.692
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.793
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.5699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Apex2  v2011.2-0 (Bruker, 2011)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_description       block
_exptl_crystal_F_000             867.7
_exptl_crystal_preparation       ', Luminescent'
_exptl_crystal_size_max          0.550
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.300
_refine_diff_density_max         4.913
_refine_diff_density_min         -1.983
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         11083
_refine_ls_number_restraints     107
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0358P)²+4.8167P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1047
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9961
_reflns_number_total             11083
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04757b2.cif
_cod_data_source_block           12mz339_0m
_cod_depositor_comments
'Adding full bibliography for 7041696--7041708.cif.'
_cod_database_code               7041702
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.606
_shelx_estimated_absorpt_t_max   0.694
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.28610(2) 0.75045(2) 0.03858(2) 0.02269(5) Uani 1 1 d . . . . .
O1 O 0.2657(2) 0.75640(19) 0.2021(2) 0.0248(5) Uani 1 1 d . . . . .
O2 O 0.1858(9) 0.8220(9) 0.3265(12) 0.0410(17) Uani 0.514(6) 1 d D U P A 1
O2B O 0.1989(10) 0.7838(9) 0.3289(13) 0.0410(17) Uani 0.486(6) 1 d D U P A 2
O3 O 0.3394(2) 0.9387(2) 0.1643(2) 0.0248(5) Uani 1 1 d . . . . .
O4 O 0.3789(4) 1.1154(2) 0.2839(3) 0.0490(9) Uani 1 1 d . . . . .
O5 O 0.0922(2) 0.5942(2) -0.1103(3) 0.0371(6) Uani 1 1 d . . . . .
H5A H 0.0954 0.5520 -0.1723 0.056 Uiso 0.514(6) 1 d R U P A 1
H5B H 0.0540 0.6106 -0.1688 0.056 Uiso 0.486(6) 1 d R U P A 2
O6 O 0.0466(7) 0.7348(7) 0.3922(7) 0.0468(17) Uani 0.514(6) 1 d D . P A 1
H6A H 0.0938 0.7500 0.3676 0.070 Uiso 0.514(6) 1 d R U P A 1
C31 C -0.0547(13) 0.7803(13) 0.3581(18) 0.060(4) Uani 0.514(6) 1 d D . P A 1
H31A H -0.0247 0.8608 0.4101 0.090 Uiso 0.514(6) 1 calc R U P A 1
H31B H -0.1184 0.7471 0.3695 0.090 Uiso 0.514(6) 1 calc R U P A 1
H31C H -0.0914 0.7645 0.2711 0.090 Uiso 0.514(6) 1 calc R U P A 1
O6B O 0.0533(8) 0.8194(10) 0.4278(8) 0.078(3) Uani 0.486(6) 1 d D . P A 2
H6B H 0.0991 0.8355 0.4022 0.117 Uiso 0.486(6) 1 d R U P A 2
C31B C -0.0601(15) 0.7434(18) 0.3225(19) 0.091(9) Uani 0.486(6) 1 d D . P A 2
H31D H -0.1095 0.7103 0.3482 0.136 Uiso 0.486(6) 1 calc R U P A 2
H31E H -0.0420 0.6848 0.2687 0.136 Uiso 0.486(6) 1 calc R U P A 2
H31F H -0.1078 0.7823 0.2774 0.136 Uiso 0.486(6) 1 calc R U P A 2
O7 O -0.0108(7) 0.5228(6) 0.3471(6) 0.0528(18) Uani 0.514(6) 1 d D U P A 1
H7C H 0.0115 0.5885 0.3595 0.079 Uiso 0.514(6) 1 calc R U P A 1
C32 C 0.0928(15) 0.4976(15) 0.4244(15) 0.090(5) Uani 0.514(6) 1 d D U P A 1
H32A H 0.1294 0.5532 0.5105 0.135 Uiso 0.514(6) 1 calc R U P A 1
H32B H 0.1559 0.4984 0.4000 0.135 Uiso 0.514(6) 1 calc R U P A 1
H32C H 0.0649 0.4238 0.4163 0.135 Uiso 0.514(6) 1 calc R U P A 1
O7B O 0.0627(13) 0.4450(10) 0.3365(12) 0.142(6) Uani 0.486(6) 1 d D U P A 2
H7B H 0.1361 0.4678 0.3528 0.213 Uiso 0.486(6) 1 calc DR U P A 2
C32B C 0.043(2) 0.523(2) 0.426(2) 0.161(9) Uani 0.486(6) 1 d D U P A 2
H32D H -0.0471 0.5050 0.3974 0.242 Uiso 0.486(6) 1 calc R U P A 2
H32E H 0.0718 0.5978 0.4373 0.242 Uiso 0.486(6) 1 calc R U P A 2
H32F H 0.0892 0.5195 0.5046 0.242 Uiso 0.486(6) 1 calc R U P A 2
O8B O 0.5643(11) 0.6957(7) 0.5169(8) 0.089(3) Uani 0.486(6) 1 d D U P A 2
H8B H 0.5832 0.7624 0.5684 0.133 Uiso 0.486(6) 1 d DR U P A 2
C33B C 0.6512(18) 0.6453(11) 0.5746(13) 0.104(5) Uani 0.486(6) 1 d D U P A 2
H33D H 0.7302 0.6694 0.5791 0.156 Uiso 0.486(6) 1 calc R U P A 2
H33E H 0.6172 0.5643 0.5265 0.156 Uiso 0.486(6) 1 calc R U P A 2
H33F H 0.6666 0.6671 0.6584 0.156 Uiso 0.486(6) 1 calc R U P A 2
O9 O 0.2897(14) 0.6054(12) 0.3975(15) 0.171(7) Uani 0.486(6) 1 d D U P A 2
H9A H 0.3691 0.6255 0.4292 0.257 Uiso 0.486(6) 1 d DR U P A 2
H9B H 0.2644 0.6568 0.3762 0.257 Uiso 0.486(6) 1 d DR U P A 2
O8 O 0.555(2) 0.6628(13) 0.5983(16) 0.183(7) Uani 0.514(6) 1 d D U P A 1
H8A H 0.5885 0.7314 0.6287 0.274 Uiso 0.514(6) 1 d R U P A 1
C33 C 0.457(2) 0.6273(16) 0.4755(17) 0.140(6) Uani 0.514(6) 1 d D U P A 1
H33A H 0.4572 0.5548 0.4222 0.210 Uiso 0.514(6) 1 calc R U P A 1
H33B H 0.4703 0.6815 0.4467 0.210 Uiso 0.514(6) 1 calc R U P A 1
H33C H 0.3768 0.6212 0.4722 0.210 Uiso 0.514(6) 1 calc R U P A 1
N1 N 0.4475(3) 0.8307(2) -0.0910(3) 0.0259(6) Uani 1 1 d . . . . .
N2 N 0.4558(3) 0.8304(2) 0.0124(3) 0.0246(5) Uani 1 1 d . . . . .
N3 N 0.5295(3) 0.8146(2) 0.2217(3) 0.0248(5) Uani 1 1 d . . . . .
N4 N 0.2137(3) 0.7773(3) -0.2321(3) 0.0269(6) Uani 1 1 d . . . . .
N5 N 0.1818(3) 0.7898(2) -0.1440(3) 0.0255(6) Uani 1 1 d . . . . .
N6 N 0.0761(3) 0.8155(3) -0.0052(3) 0.0269(6) Uani 1 1 d . . . . .
N7 N 0.3258(3) 0.6308(3) -0.2187(3) 0.0299(6) Uani 1 1 d . . . . .
N8 N 0.3162(3) 0.6167(2) -0.1287(3) 0.0284(6) Uani 1 1 d . . . . .
N9 N 0.3226(3) 0.5592(2) 0.0442(3) 0.0280(6) Uani 1 1 d . . . . .
C1 C 0.5557(3) 0.8950(3) -0.0622(3) 0.0272(7) Uani 1 1 d . . . . .
H1 H 0.5722 0.9092 -0.1185 0.033 Uiso 1 1 calc R U . . .
C2 C 0.6382(3) 0.9366(3) 0.0635(3) 0.0263(6) Uani 1 1 d . . . . .
H2 H 0.7214 0.9844 0.1105 0.032 Uiso 1 1 calc R U . . .
C3 C 0.5720(3) 0.8928(3) 0.1062(3) 0.0249(6) Uani 1 1 d . . . . .
C4 C 0.6109(3) 0.8894(3) 0.2240(3) 0.0249(6) Uani 1 1 d . . . . .
C5 C 0.7280(3) 0.9533(3) 0.3298(3) 0.0321(7) Uani 1 1 d . . . . .
H5 H 0.7829 1.0062 0.3299 0.039 Uiso 1 1 calc R U . . .
C6 C 0.7626(3) 0.9379(4) 0.4350(4) 0.0354(8) Uani 1 1 d . . . . .
H6 H 0.8413 0.9809 0.5083 0.043 Uiso 1 1 calc R U . . .
C7 C 0.6819(3) 0.8598(3) 0.4320(3) 0.0319(8) Uani 1 1 d . . . . .
H7 H 0.7048 0.8463 0.5020 0.038 Uiso 1 1 calc R U . . .
C8 C 0.5660(3) 0.8012(3) 0.3241(3) 0.0271(7) Uani 1 1 d . . . . .
H8 H 0.5097 0.7486 0.3229 0.033 Uiso 1 1 calc R U . . .
C9 C 0.1264(3) 0.7961(3) -0.3220(3) 0.0311(7) Uani 1 1 d . . . . .
H9 H 0.1268 0.7916 -0.3936 0.037 Uiso 1 1 calc R U . . .
C10 C 0.0363(3) 0.8230(3) -0.2926(3) 0.0321(8) Uani 1 1 d . . . . .
H10 H -0.0360 0.8413 -0.3382 0.039 Uiso 1 1 calc R U . . .
C11 C 0.0748(3) 0.8175(3) -0.1807(3) 0.0265(7) Uani 1 1 d . . . . .
C12 C 0.0173(3) 0.8347(3) -0.1048(3) 0.0269(7) Uani 1 1 d . . . . .
C13 C -0.0923(4) 0.8667(4) -0.1348(4) 0.0352(8) Uani 1 1 d . . . . .
H13 H -0.1318 0.8787 -0.2062 0.042 Uiso 1 1 calc R U . . .
C14 C -0.1431(4) 0.8811(4) -0.0601(4) 0.0403(9) Uani 1 1 d . . . . .
H14 H -0.2176 0.9032 -0.0790 0.048 Uiso 1 1 calc R U . . .
C15 C -0.0836(3) 0.8625(4) 0.0424(4) 0.0344(8) Uani 1 1 d . . . . .
H15 H -0.1160 0.8719 0.0958 0.041 Uiso 1 1 calc R U . . .
C16 C 0.0246(3) 0.8299(3) 0.0659(3) 0.0313(7) Uani 1 1 d . . . . .
H16 H 0.0648 0.8169 0.1365 0.038 Uiso 1 1 calc R U . . .
C17 C 0.3447(4) 0.5396(3) -0.2870(4) 0.0354(8) Uani 1 1 d . . . . .
H17 H 0.3548 0.5294 -0.3553 0.042 Uiso 1 1 calc R U . . .
C18 C 0.3468(4) 0.4646(3) -0.2412(4) 0.0348(8) Uani 1 1 d . . . . .
H18 H 0.3569 0.3926 -0.2713 0.042 Uiso 1 1 calc R U . . .
C19 C 0.3308(3) 0.5166(3) -0.1400(3) 0.0288(7) Uani 1 1 d . . . . .
C20 C 0.3323(3) 0.4834(3) -0.0480(3) 0.0285(7) Uani 1 1 d . . . . .
C21 C 0.3455(3) 0.3799(3) -0.0540(4) 0.0360(9) Uani 1 1 d . . . . .
H21 H 0.3557 0.3295 -0.1176 0.043 Uiso 1 1 calc R U . . .
C22 C 0.3434(4) 0.3520(3) 0.0335(4) 0.0382(9) Uani 1 1 d . . . . .
H22 H 0.3515 0.2818 0.0305 0.046 Uiso 1 1 calc R U . . .
C23 C 0.3293(4) 0.4269(3) 0.1255(4) 0.0372(9) Uani 1 1 d . . . . .
H23 H 0.3266 0.4090 0.1863 0.045 Uiso 1 1 calc R U . . .
C24 C 0.3190(3) 0.5293(3) 0.1271(4) 0.0324(8) Uani 1 1 d . . . . .
H24 H 0.3089 0.5807 0.1902 0.039 Uiso 1 1 calc R U . . .
C25 C 0.4510(3) 0.9166(3) 0.5158(3) 0.0235(6) Uani 1 1 d . . . . .
H25 H 0.4164 0.8589 0.5264 0.028 Uiso 1 1 calc R U . . .
C26 C 0.3895(3) 0.9162(3) 0.4001(3) 0.0241(6) Uani 1 1 d . . . . .
C27 C 0.4389(3) 1.0018(3) 0.3840(3) 0.0222(6) Uani 1 1 d . . . . .
C28 C 0.2727(3) 0.8199(3) 0.3024(3) 0.0306(7) Uani 1 1 d D . . . .
C29 C 0.3797(3) 1.0188(3) 0.2684(3) 0.0244(6) Uani 1 1 d . . . . .
C30 C -0.0006(9) 0.5546(6) -0.0956(8) 0.098(3) Uani 1 1 d . . . . .
H30A H 0.0332 0.5724 -0.0084 0.118 Uiso 1 1 calc R U . . .
H30B H -0.0339 0.4738 -0.1461 0.118 Uiso 1 1 calc R U . . .
H30C H -0.0680 0.5890 -0.1219 0.118 Uiso 1 1 calc R U . . .
B1 B 0.3344(4) 0.7460(4) -0.2188(4) 0.0289(8) Uani 1 1 d . . . . .
H1A H 0.3469 0.7449 -0.2872 0.035 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
B B 0.0013 0.0007 '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
O1 Eu1 O3 76.33(8) .
O1 Eu1 O5 91.08(9) .
O3 Eu1 O5 137.18(9) .
O1 Eu1 N5 139.95(9) .
O3 Eu1 N5 87.93(9) .
O5 Eu1 N5 75.78(10) .
O1 Eu1 N2 136.42(9) .
O3 Eu1 N2 77.75(9) .
O5 Eu1 N2 130.99(10) .
N5 Eu1 N2 72.45(10) .
O1 Eu1 N8 138.56(9) .
O3 Eu1 N8 141.04(10) .
O5 Eu1 N8 71.27(10) .
N5 Eu1 N8 72.98(10) .
N2 Eu1 N8 64.32(10) .
O1 Eu1 N9 76.50(9) .
O3 Eu1 N9 142.56(9) .
O5 Eu1 N9 68.32(9) .
N5 Eu1 N9 129.14(9) .
N2 Eu1 N9 105.84(9) .
N8 Eu1 N9 62.22(10) .
O1 Eu1 N6 78.17(9) .
O3 Eu1 N6 70.14(9) .
O5 Eu1 N6 67.23(9) .
N5 Eu1 N6 61.82(10) .
N2 Eu1 N6 123.84(9) .
N8 Eu1 N6 124.04(9) .
N9 Eu1 N6 127.69(9) .
O1 Eu1 N3 78.16(9) .
O3 Eu1 N3 72.38(8) .
O5 Eu1 N3 145.44(9) .
N5 Eu1 N3 131.89(10) .
N2 Eu1 N3 60.81(9) .
N8 Eu1 N3 95.27(9) .
N9 Eu1 N3 77.22(9) .
N6 Eu1 N3 139.31(8) .
O1 Eu1 H5B 103.3 .
O3 Eu1 H5B 128.3 .
O5 Eu1 H5B 17.0 .
N5 Eu1 H5B 58.9 .
N2 Eu1 H5B 120.3 .
N8 Eu1 H5B 69.7 .
N9 Eu1 H5B 83.0 .
N6 Eu1 H5B 59.6 .
N3 Eu1 H5B 159.3 .
C28 O1 Eu1 144.7(2) .
C29 O3 Eu1 151.0(2) .
C30 O5 Eu1 130.2(4) .
C30 O5 H5A 116.7 .
Eu1 O5 H5A 111.4 .
C30 O5 H5B 103.3 .
Eu1 O5 H5B 104.2 .
C31 O6 H6A 111.2 .
O6 C31 H31A 109.5 .
O6 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
O6 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
C31B O6B H6B 106.6 .
O6B C31B H31D 109.5 .
O6B C31B H31E 109.5 .
H31D C31B H31E 109.5 .
O6B C31B H31F 109.5 .
H31D C31B H31F 109.5 .
H31E C31B H31F 109.5 .
C32 O7 H7C 109.5 .
O7 C32 H32A 109.5 .
O7 C32 H32B 109.5 .
H32A C32 H32B 109.5 .
O7 C32 H32C 109.5 .
H32A C32 H32C 109.5 .
H32B C32 H32C 109.5 .
C32B O7B H7B 109.5 .
O7B C32B H32D 109.5 .
O7B C32B H32E 109.5 .
H32D C32B H32E 109.5 .
O7B C32B H32F 109.5 .
H32D C32B H32F 109.5 .
H32E C32B H32F 109.5 .
C33B O8B H8B 108.6 .
O8B C33B H33D 109.5 .
O8B C33B H33E 109.5 .
H33D C33B H33E 109.5 .
O8B C33B H33F 109.5 .
H33D C33B H33F 109.5 .
H33E C33B H33F 109.5 .
H9A O9 H9B 104.4 .
C33 O8 H8A 107.6 .
O8 C33 H33A 109.5 .
O8 C33 H33B 109.5 .
H33A C33 H33B 109.5 .
O8 C33 H33C 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
C1 N1 N2 110.2(3) .
C1 N1 B1 130.2(3) .
N2 N1 B1 118.5(3) .
C3 N2 N1 106.5(3) .
C3 N2 Eu1 124.2(2) .
N1 N2 Eu1 128.9(2) .
C8 N3 C4 117.7(3) .
C8 N3 Eu1 123.5(2) .
C4 N3 Eu1 116.3(2) .
C9 N4 N5 109.7(3) .
C9 N4 B1 129.7(3) .
N5 N4 B1 120.6(3) .
C11 N5 N4 106.3(3) .
C11 N5 Eu1 125.1(2) .
N4 N5 Eu1 128.2(2) .
C16 N6 C12 116.9(3) .
C16 N6 Eu1 124.3(2) .
C12 N6 Eu1 118.8(2) .
N8 N7 C17 109.8(3) .
N8 N7 B1 119.9(3) .
C17 N7 B1 129.6(3) .
C19 N8 N7 106.9(3) .
C19 N8 Eu1 124.2(3) .
N7 N8 Eu1 128.8(2) .
C24 N9 C20 117.5(3) .
C24 N9 Eu1 123.1(2) .
C20 N9 Eu1 119.0(2) .
N1 C1 C2 108.2(3) .
N1 C1 H1 125.9 .
C2 C1 H1 125.9 .
C1 C2 C3 104.8(3) .
C1 C2 H2 127.6 .
C3 C2 H2 127.6 .
N2 C3 C2 110.2(3) .
N2 C3 C4 116.6(3) .
C2 C3 C4 132.5(3) .
N3 C4 C5 122.1(3) .
N3 C4 C3 115.6(3) .
C5 C4 C3 122.2(3) .
C6 C5 C4 118.7(4) .
C6 C5 H5 120.7 .
C4 C5 H5 120.7 .
C7 C6 C5 119.5(3) .
C7 C6 H6 120.3 .
C5 C6 H6 120.3 .
C6 C7 C8 118.3(4) .
C6 C7 H7 120.8 .
C8 C7 H7 120.8 .
N3 C8 C7 123.7(4) .
N3 C8 H8 118.2 .
C7 C8 H8 118.2 .
N4 C9 C10 108.5(3) .
N4 C9 H9 125.8 .
C10 C9 H9 125.8 .
C9 C10 C11 105.0(3) .
C9 C10 H10 127.5 .
C11 C10 H10 127.5 .
N5 C11 C10 110.5(3) .
N5 C11 C12 118.4(3) .
C10 C11 C12 131.1(3) .
N6 C12 C13 122.3(3) .
N6 C12 C11 115.7(3) .
C13 C12 C11 122.0(3) .
C14 C13 C12 119.5(4) .
C14 C13 H13 120.2 .
C12 C13 H13 120.2 .
C15 C14 C13 118.7(3) .
C15 C14 H14 120.7 .
C13 C14 H14 120.7 .
C14 C15 C16 118.6(4) .
C14 C15 H15 120.7 .
C16 C15 H15 120.7 .
N6 C16 C15 123.9(3) .
N6 C16 H16 118.0 .
C15 C16 H16 118.0 .
N7 C17 C18 108.4(4) .
N7 C17 H17 125.8 .
C18 C17 H17 125.8 .
C17 C18 C19 105.3(3) .
C17 C18 H18 127.4 .
C19 C18 H18 127.4 .
N8 C19 C18 109.6(4) .
N8 C19 C20 118.1(3) .
C18 C19 C20 132.3(3) .
N9 C20 C21 122.0(4) .
N9 C20 C19 116.3(3) .
C21 C20 C19 121.7(3) .
C22 C21 C20 119.2(4) .
C22 C21 H21 120.4 .
C20 C21 H21 120.4 .
C21 C22 C23 119.5(4) .
C21 C22 H22 120.3 .
C23 C22 H22 120.3 .
C22 C23 C24 118.2(4) .
C22 C23 H23 120.9 .
C24 C23 H23 120.9 .
N9 C24 C23 123.5(4) .
N9 C24 H24 118.2 .
C23 C24 H24 118.2 .
C27 C25 C26 122.7(3) 2_676
C27 C25 H25 118.6 2_676
C26 C25 H25 118.6 .
C25 C26 C27 119.1(3) .
C25 C26 C28 115.0(3) .
C27 C26 C28 126.0(3) .
C25 C27 C26 118.2(3) 2_676
C25 C27 C29 115.6(3) 2_676
C26 C27 C29 126.0(3) .
O2B C28 O1 117.1(7) .
O2 C28 O1 127.3(7) .
O2B C28 C26 121.1(7) .
O2 C28 C26 112.9(6) .
O1 C28 C26 119.2(3) .
O4 C29 O3 123.2(3) .
O4 C29 C27 116.6(3) .
O3 C29 C27 120.1(3) .
O5 C30 H30A 109.5 .
O5 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
O5 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
N4 B1 N1 108.9(3) .
N4 B1 N7 109.1(3) .
N1 B1 N7 106.5(3) .
N4 B1 H1A 110.7 .
N1 B1 H1A 110.7 .
N7 B1 H1A 110.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O1 2.311(2) .
Eu1 O3 2.315(2) .
Eu1 O5 2.468(3) .
Eu1 N5 2.504(3) .
Eu1 N2 2.521(3) .
Eu1 N8 2.528(3) .
Eu1 N9 2.680(3) .
Eu1 N6 2.704(3) .
Eu1 N3 2.717(3) .
Eu1 H5B 2.7962 .
O1 C28 1.271(4) .
O2 C28 1.261(9) .
O2B C28 1.251(10) .
O3 C29 1.255(4) .
O4 C29 1.245(4) .
O5 C30 1.361(7) .
O5 H5A 0.8440 .
O5 H5B 0.8420 .
O6 C31 1.409(12) .
O6 H6A 0.8400 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
O6B C31B 1.409(13) .
O6B H6B 0.8401 .
C31B H31D 0.9800 .
C31B H31E 0.9800 .
C31B H31F 0.9800 .
O7 C32 1.412(10) .
O7 H7C 0.8400 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
O7B C32B 1.417(15) .
O7B H7B 0.8400 .
C32B H32D 0.9800 .
C32B H32E 0.9800 .
C32B H32F 0.9800 .
O8B C33B 1.412(13) .
O8B H8B 0.8440 .
C33B H33D 0.9800 .
C33B H33E 0.9800 .
C33B H33F 0.9800 .
O9 H9A 0.8534 .
O9 H9B 0.8739 .
O8 C33 1.411(14) .
O8 H8A 0.8430 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
N1 C1 1.351(5) .
N1 N2 1.358(4) .
N1 B1 1.552(5) .
N2 C3 1.342(4) .
N3 C8 1.339(5) .
N3 C4 1.357(5) .
N4 C9 1.346(4) .
N4 N5 1.376(4) .
N4 B1 1.542(5) .
N5 C11 1.335(4) .
N6 C16 1.344(5) .
N6 C12 1.350(4) .
N7 N8 1.352(5) .
N7 C17 1.353(5) .
N7 B1 1.553(5) .
N8 C19 1.341(4) .
N9 C24 1.341(5) .
N9 C20 1.355(5) .
C1 C2 1.382(5) .
C1 H1 0.9500 .
C2 C3 1.402(5) .
C2 H2 0.9500 .
C3 C4 1.465(5) .
C4 C5 1.397(5) .
C5 C6 1.393(6) .
C5 H5 0.9500 .
C6 C7 1.376(6) .
C6 H6 0.9500 .
C7 C8 1.391(5) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 C10 1.380(5) .
C9 H9 0.9500 .
C10 C11 1.402(5) .
C10 H10 0.9500 .
C11 C12 1.459(5) .
C12 C13 1.393(5) .
C13 C14 1.381(6) .
C13 H13 0.9500 .
C14 C15 1.378(6) .
C14 H14 0.9500 .
C15 C16 1.386(5) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C18 1.365(6) .
C17 H17 0.9500 .
C18 C19 1.402(5) .
C18 H18 0.9500 .
C19 C20 1.462(6) .
C20 C21 1.397(5) .
C21 C22 1.378(7) .
C21 H21 0.9500 .
C22 C23 1.379(6) .
C22 H22 0.9500 .
C23 C24 1.394(5) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C27 1.394(5) 2_676
C25 C26 1.398(4) .
C25 H25 0.9500 .
C26 C27 1.400(5) .
C26 C28 1.511(5) .
C27 C25 1.394(5) 2_676
C27 C29 1.517(4) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
B1 H1A 1.0000 .
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
C1 N1 N2 C3 -1.8(4) . .
B1 N1 N2 C3 167.3(3) . .
C1 N1 N2 Eu1 171.7(2) . .
B1 N1 N2 Eu1 -19.3(4) . .
C9 N4 N5 C11 -0.7(4) . .
B1 N4 N5 C11 179.4(3) . .
C9 N4 N5 Eu1 173.5(2) . .
B1 N4 N5 Eu1 -6.4(4) . .
C17 N7 N8 C19 0.7(4) . .
B1 N7 N8 C19 -170.3(3) . .
C17 N7 N8 Eu1 178.3(2) . .
B1 N7 N8 Eu1 7.3(4) . .
N2 N1 C1 C2 1.1(4) . .
B1 N1 C1 C2 -166.3(3) . .
N1 C1 C2 C3 0.1(4) . .
N1 N2 C3 C2 1.8(4) . .
Eu1 N2 C3 C2 -172.0(2) . .
N1 N2 C3 C4 -169.7(3) . .
Eu1 N2 C3 C4 16.5(4) . .
C1 C2 C3 N2 -1.2(4) . .
C1 C2 C3 C4 168.5(3) . .
C8 N3 C4 C5 -1.8(5) . .
Eu1 N3 C4 C5 161.0(3) . .
C8 N3 C4 C3 173.9(3) . .
Eu1 N3 C4 C3 -23.3(3) . .
N2 C3 C4 N3 6.4(4) . .
C2 C3 C4 N3 -162.7(3) . .
N2 C3 C4 C5 -177.9(3) . .
C2 C3 C4 C5 13.0(6) . .
N3 C4 C5 C6 1.3(5) . .
C3 C4 C5 C6 -174.2(3) . .
C4 C5 C6 C7 0.7(5) . .
C5 C6 C7 C8 -2.0(5) . .
C4 N3 C8 C7 0.4(5) . .
Eu1 N3 C8 C7 -161.0(3) . .
C6 C7 C8 N3 1.5(5) . .
N5 N4 C9 C10 0.9(4) . .
B1 N4 C9 C10 -179.2(4) . .
N4 C9 C10 C11 -0.8(4) . .
N4 N5 C11 C10 0.2(4) . .
Eu1 N5 C11 C10 -174.2(2) . .
N4 N5 C11 C12 179.1(3) . .
Eu1 N5 C11 C12 4.8(4) . .
C9 C10 C11 N5 0.4(4) . .
C9 C10 C11 C12 -178.4(4) . .
C16 N6 C12 C13 -0.7(5) . .
Eu1 N6 C12 C13 179.0(3) . .
C16 N6 C12 C11 -179.5(3) . .
Eu1 N6 C12 C11 0.1(4) . .
N5 C11 C12 N6 -3.0(5) . .
C10 C11 C12 N6 175.8(4) . .
N5 C11 C12 C13 178.2(4) . .
C10 C11 C12 C13 -3.1(6) . .
N6 C12 C13 C14 0.8(6) . .
C11 C12 C13 C14 179.6(4) . .
C12 C13 C14 C15 -0.3(7) . .
C13 C14 C15 C16 -0.2(7) . .
C12 N6 C16 C15 0.1(6) . .
Eu1 N6 C16 C15 -179.5(3) . .
C14 C15 C16 N6 0.3(7) . .
N8 N7 C17 C18 0.3(4) . .
B1 N7 C17 C18 170.2(3) . .
N7 C17 C18 C19 -1.2(4) . .
N7 N8 C19 C18 -1.5(4) . .
Eu1 N8 C19 C18 -179.3(2) . .
N7 N8 C19 C20 176.3(3) . .
Eu1 N8 C19 C20 -1.5(4) . .
C17 C18 C19 N8 1.7(4) . .
C17 C18 C19 C20 -175.6(4) . .
C24 N9 C20 C21 -3.6(5) . .
Eu1 N9 C20 C21 -176.9(3) . .
C24 N9 C20 C19 177.6(3) . .
Eu1 N9 C20 C19 4.2(4) . .
N8 C19 C20 N9 -2.0(4) . .
C18 C19 C20 N9 175.2(4) . .
N8 C19 C20 C21 179.1(3) . .
C18 C19 C20 C21 -3.7(6) . .
N9 C20 C21 C22 2.7(5) . .
C19 C20 C21 C22 -178.5(3) . .
C20 C21 C22 C23 -0.4(6) . .
C21 C22 C23 C24 -0.7(6) . .
C20 N9 C24 C23 2.4(5) . .
Eu1 N9 C24 C23 175.4(3) . .
C22 C23 C24 N9 -0.3(6) . .
C27 C25 C26 C27 -0.8(5) 2_676 .
C27 C25 C26 C28 179.0(3) 2_676 .
C25 C26 C27 C25 0.8(5) . 2_676
C28 C26 C27 C25 -179.0(3) . 2_676
C25 C26 C27 C29 -175.4(3) . .
C28 C26 C27 C29 4.8(5) . .
Eu1 O1 C28 O2B 146.7(6) . .
Eu1 O1 C28 O2 118.5(7) . .
Eu1 O1 C28 C26 -51.6(5) . .
C25 C26 C28 O2B 38.5(6) . .
C27 C26 C28 O2B -141.7(6) . .
C25 C26 C28 O2 66.1(6) . .
C27 C26 C28 O2 -114.1(6) . .
C25 C26 C28 O1 -122.5(4) . .
C27 C26 C28 O1 57.3(5) . .
Eu1 O3 C29 O4 -172.5(3) . .
Eu1 O3 C29 C27 10.7(7) . .
C25 C27 C29 O4 -41.1(4) 2_676 .
C26 C27 C29 O4 135.2(4) . .
C25 C27 C29 O3 136.0(3) 2_676 .
C26 C27 C29 O3 -47.8(5) . .
C9 N4 B1 N1 125.7(4) . .
N5 N4 B1 N1 -54.4(4) . .
C9 N4 B1 N7 -118.4(4) . .
N5 N4 B1 N7 61.5(4) . .
C1 N1 B1 N4 -125.1(4) . .
N2 N1 B1 N4 68.4(4) . .
C1 N1 B1 N7 117.3(4) . .
N2 N1 B1 N7 -49.1(4) . .
N8 N7 B1 N4 -61.7(4) . .
C17 N7 B1 N4 129.3(4) . .
N8 N7 B1 N1 55.6(4) . .
C17 N7 B1 N1 -113.4(4) . .
