#------------------------------------------------------------------------------
#$Date: 2017-05-05 00:43:04 +0300 (Fri, 05 May 2017) $
#$Revision: 196132 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/56/4345647.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_4345647
loop_
_publ_author_name
'Wong, Ho-Yin'
'Lo, Wai-Sum'
'Chan, Wesley Ting Kwok'
'Law, Ga-Lai'
_publ_section_title
;
 Mechanistic Investigation of Inducing Triboluminescence in
 Lanthanide(III) β-Diketonate Complexes.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5135
_journal_page_last               5140
_journal_paper_doi               10.1021/acs.inorgchem.7b00273
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         '2(C57 H41 Eu N2 O6), 4(C2 H3 N), C2 N'
_chemical_formula_sum            'C124 H94 Eu2 N9 O12'
_chemical_formula_weight         2206.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 106.121(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.0733(8)
_cell_length_b                   32.986(2)
_cell_length_c                   13.4884(10)
_cell_measurement_reflns_used    9634
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.36
_cell_volume                     5160.5(6)
_computing_cell_refinement       'Bruker APEX3'
_computing_data_collection       'Bruker APEX3'
_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      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Photon-100 CMOS area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'micro-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            117644
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    1.273
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SAINT ver 8.34A; BRUKER SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2246
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.674
_refine_diff_density_min         -1.049
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         11908
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0154P)²+6.0386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0563
_refine_ls_wR_factor_ref         0.0582
_reflns_number_gt                10646
_reflns_number_total             11908
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7b00273_si_003.cif
_cod_data_source_block           bcwhy37
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 4345646--4345650.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4345647
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_group
Eu1 Eu 0.401142(9) 0.362006(3) 0.941104(8) 0.01713(3) Uani 1 1 d . .
N1 N 0.56289(16) 0.36693(6) 1.11498(14) 0.0243(4) Uani 1 1 d . .
N2 N 0.59329(16) 0.39670(6) 0.93682(14) 0.0230(4) Uani 1 1 d . .
C1 C 0.67137(18) 0.37748(7) 1.11384(17) 0.0212(4) Uani 1 1 d . .
C2 C 0.5481(2) 0.35316(8) 1.20251(18) 0.0335(6) Uani 1 1 d . .
H2A H 0.4727 0.3454 1.2036 0.040 Uiso 1 1 calc R .
C3 C 0.6377(2) 0.34943(10) 1.2935(2) 0.0424(7) Uani 1 1 d . .
H3A H 0.6229 0.3397 1.3548 0.051 Uiso 1 1 calc R .
C4 C 0.7470(2) 0.35999(9) 1.29274(19) 0.0373(6) Uani 1 1 d . .
H4A H 0.8091 0.3577 1.3538 0.045 Uiso 1 1 calc R .
C5 C 0.7667(2) 0.37430(7) 1.20132(18) 0.0261(5) Uani 1 1 d . .
C6 C 0.8793(2) 0.38499(8) 1.19367(19) 0.0308(5) Uani 1 1 d . .
H6A H 0.9439 0.3825 1.2526 0.037 Uiso 1 1 calc R .
C7 C 0.8947(2) 0.39849(7) 1.1047(2) 0.0292(5) Uani 1 1 d . .
H7A H 0.9701 0.4052 1.1014 0.035 Uiso 1 1 calc R .
C8 C 0.79935(19) 0.40303(7) 1.01451(18) 0.0246(5) Uani 1 1 d . .
C9 C 0.8108(2) 0.41820(7) 0.9208(2) 0.0306(5) Uani 1 1 d . .
H9A H 0.8850 0.4246 0.9138 0.037 Uiso 1 1 calc R .
C10 C 0.7152(2) 0.42383(8) 0.83986(19) 0.0327(5) Uani 1 1 d . .
H10A H 0.7215 0.4352 0.7770 0.039 Uiso 1 1 calc R .
C11 C 0.6077(2) 0.41253(7) 0.85091(18) 0.0289(5) Uani 1 1 d . .
H11A H 0.5416 0.4164 0.7940 0.035 Uiso 1 1 calc R .
C12 C 0.68753(18) 0.39251(6) 1.01868(17) 0.0208(4) Uani 1 1 d . .
O1 O 0.52582(13) 0.30576(5) 0.95591(11) 0.0230(3) Uani 1 1 d . .
O2 O 0.41698(13) 0.34483(5) 0.77585(11) 0.0223(3) Uani 1 1 d . .
C13 C 0.58854(18) 0.29130(6) 0.90360(17) 0.0214(4) Uani 1 1 d . .
C14 C 0.56592(19) 0.29616(7) 0.79693(17) 0.0250(5) Uani 1 1 d . .
H14A H 0.6098 0.2807 0.7618 0.030 Uiso 1 1 calc R .
C15 C 0.48169(18) 0.32265(7) 0.73914(17) 0.0215(4) Uani 1 1 d . .
C16 C 0.69485(19) 0.26936(7) 0.96326(17) 0.0227(4) Uani 1 1 d . .
C17 C 0.7642(2) 0.24667(8) 0.9172(2) 0.0351(6) Uani 1 1 d . .
H17A H 0.7424 0.2432 0.8444 0.042 Uiso 1 1 calc R .
C18 C 0.8651(3) 0.22899(10) 0.9772(2) 0.0493(8) Uani 1 1 d . .
H18A H 0.9120 0.2136 0.9451 0.059 Uiso 1 1 calc R .
C19 C 0.8974(3) 0.23363(11) 1.0822(2) 0.0549(9) Uani 1 1 d . .
H19A H 0.9667 0.2216 1.1227 0.066 Uiso 1 1 calc R .
C20 C 0.8289(2) 0.25580(10) 1.1289(2) 0.0451(7) Uani 1 1 d . .
H20A H 0.8510 0.2590 1.2018 0.054 Uiso 1 1 calc R .
C21 C 0.7285(2) 0.27327(8) 1.07015(18) 0.0294(5) Uani 1 1 d . .
H21A H 0.6815 0.2882 1.1031 0.035 Uiso 1 1 calc R .
C22 C 0.46669(18) 0.32711(7) 0.62610(17) 0.0254(5) Uani 1 1 d . .
C23 C 0.4771(2) 0.29433(9) 0.56391(19) 0.0334(6) Uani 1 1 d . .
H23A H 0.5030 0.2688 0.5942 0.040 Uiso 1 1 calc R .
C24 C 0.4493(2) 0.29916(11) 0.4579(2) 0.0466(8) Uani 1 1 d . .
H24A H 0.4553 0.2768 0.4154 0.056 Uiso 1 1 calc R .
C25 C 0.4131(2) 0.33608(11) 0.4138(2) 0.0476(8) Uani 1 1 d . .
H25A H 0.3913 0.3388 0.3409 0.057 Uiso 1 1 calc R .
C26 C 0.4081(2) 0.36926(10) 0.4748(2) 0.0423(7) Uani 1 1 d . .
H26A H 0.3871 0.3951 0.4442 0.051 Uiso 1 1 calc R .
C27 C 0.4339(2) 0.36474(8) 0.58085(19) 0.0323(5) Uani 1 1 d . .
H27A H 0.4292 0.3874 0.6229 0.039 Uiso 1 1 calc R .
O3 O 0.31642(13) 0.31803(5) 1.03749(12) 0.0234(3) Uani 1 1 d . .
O4 O 0.20715(13) 0.35310(5) 0.84887(12) 0.0245(3) Uani 1 1 d . .
C28 C 0.21438(18) 0.31713(6) 1.04669(17) 0.0201(4) Uani 1 1 d . .
C29 C 0.11602(19) 0.33100(7) 0.97286(17) 0.0228(4) Uani 1 1 d . .
H29A H 0.0445 0.3299 0.9892 0.027 Uiso 1 1 calc R .
C30 C 0.11659(18) 0.34638(7) 0.87607(17) 0.0210(4) Uani 1 1 d . .
C31 C 0.19968(18) 0.29808(6) 1.14289(17) 0.0210(4) Uani 1 1 d . .
C32 C 0.1170(2) 0.31155(8) 1.18947(19) 0.0297(5) Uani 1 1 d . .
H32A H 0.0683 0.3337 1.1604 0.036 Uiso 1 1 calc R .
C33 C 0.1054(2) 0.29287(9) 1.2779(2) 0.0367(6) Uani 1 1 d . .
H33A H 0.0502 0.3027 1.3103 0.044 Uiso 1 1 calc R .
C34 C 0.1732(2) 0.26015(8) 1.3193(2) 0.0376(6) Uani 1 1 d . .
H34A H 0.1635 0.2470 1.3789 0.045 Uiso 1 1 calc R .
C35 C 0.2551(3) 0.24661(8) 1.2736(2) 0.0408(7) Uani 1 1 d . .
H35A H 0.3018 0.2239 1.3017 0.049 Uiso 1 1 calc R .
C36 C 0.2698(2) 0.26586(7) 1.18710(19) 0.0319(5) Uani 1 1 d . .
H36A H 0.3285 0.2569 1.1577 0.038 Uiso 1 1 calc R .
C37 C 0.00493(19) 0.35569(7) 0.79724(17) 0.0228(4) Uani 1 1 d . .
C38 C -0.0973(2) 0.33622(8) 0.7943(2) 0.0351(6) Uani 1 1 d . .
H38A H -0.0994 0.3165 0.8453 0.042 Uiso 1 1 calc R .
C39 C -0.1970(2) 0.34535(10) 0.7172(2) 0.0473(7) Uani 1 1 d . .
H39A H -0.2668 0.3317 0.7156 0.057 Uiso 1 1 calc R .
C40 C -0.1960(2) 0.37375(10) 0.6434(2) 0.0448(7) Uani 1 1 d . .
H40A H -0.2648 0.3799 0.5911 0.054 Uiso 1 1 calc R .
C41 C -0.0951(3) 0.39320(10) 0.6455(2) 0.0478(7) Uani 1 1 d . .
H41A H -0.0938 0.4130 0.5948 0.057 Uiso 1 1 calc R .
C42 C 0.0047(2) 0.38394(9) 0.7215(2) 0.0397(7) Uani 1 1 d . .
H42A H 0.0746 0.3973 0.7217 0.048 Uiso 1 1 calc R .
O5 O 0.32579(13) 0.40639(5) 1.04126(11) 0.0243(3) Uani 1 1 d . .
O6 O 0.35110(13) 0.42275(5) 0.85017(12) 0.0232(3) Uani 1 1 d . .
C43 C 0.25247(18) 0.43478(6) 1.02031(17) 0.0205(4) Uani 1 1 d . .
C44 C 0.22044(19) 0.45535(7) 0.92544(17) 0.0242(5) Uani 1 1 d . .
H44A H 0.1609 0.4751 0.9147 0.029 Uiso 1 1 calc R .
C45 C 0.27190(18) 0.44827(6) 0.84595(17) 0.0211(4) Uani 1 1 d . .
C46 C 0.19981(18) 0.44578(7) 1.10505(17) 0.0213(4) Uani 1 1 d . .
C47 C 0.1363(2) 0.48097(7) 1.10478(19) 0.0280(5) Uani 1 1 d . .
H47A H 0.1226 0.4990 1.0477 0.034 Uiso 1 1 calc R .
C48 C 0.0928(2) 0.49001(8) 1.1869(2) 0.0335(6) Uani 1 1 d . .
H48A H 0.0505 0.5143 1.1864 0.040 Uiso 1 1 calc R .
C49 C 0.1107(2) 0.46380(8) 1.26973(19) 0.0331(6) Uani 1 1 d . .
H49A H 0.0807 0.4701 1.3260 0.040 Uiso 1 1 calc R .
C50 C 0.1721(2) 0.42849(8) 1.27054(18) 0.0309(5) Uani 1 1 d . .
H50A H 0.1837 0.4103 1.3270 0.037 Uiso 1 1 calc R .
C51 C 0.21699(19) 0.41956(7) 1.18909(17) 0.0249(5) Uani 1 1 d . .
H51A H 0.2599 0.3953 1.1905 0.030 Uiso 1 1 calc R .
C52 C 0.23210(19) 0.47108(7) 0.74621(17) 0.0236(5) Uani 1 1 d . .
C53 C 0.1831(2) 0.50953(7) 0.73724(19) 0.0296(5) Uani 1 1 d . .
H53A H 0.1732 0.5228 0.7967 0.036 Uiso 1 1 calc R .
C54 C 0.1486(2) 0.52861(8) 0.6419(2) 0.0371(6) Uani 1 1 d . .
H54A H 0.1159 0.5550 0.6363 0.044 Uiso 1 1 calc R .
C55 C 0.1616(3) 0.50931(9) 0.5553(2) 0.0454(7) Uani 1 1 d . .
H55A H 0.1369 0.5222 0.4899 0.054 Uiso 1 1 calc R .
C56 C 0.2107(3) 0.47116(9) 0.5636(2) 0.0498(8) Uani 1 1 d . .
H56A H 0.2201 0.4579 0.5038 0.060 Uiso 1 1 calc R .
C57 C 0.2461(2) 0.45228(8) 0.65817(19) 0.0354(6) Uani 1 1 d . .
H57A H 0.2804 0.4262 0.6634 0.042 Uiso 1 1 calc R .
N3 N 0.0449(2) 0.37990(9) 0.44871(19) 0.0553(7) Uani 1 1 d . .
C58 C 0.1655(3) 0.32879(13) 0.5794(3) 0.0611(10) Uani 1 1 d D .
H58A H 0.207(3) 0.3397(12) 0.6392(16) 0.092 Uiso 1 1 d D .
H58B H 0.123(3) 0.3088(8) 0.595(3) 0.092 Uiso 1 1 d D .
H58C H 0.218(2) 0.3164(10) 0.553(3) 0.092 Uiso 1 1 d D .
C59 C 0.0980(2) 0.35788(10) 0.5064(2) 0.0423(7) Uani 1 1 d . .
N4 N 0.4255(6) 0.5346(2) 0.3915(6) 0.177(3) Uani 1 1 d U .
C60 C 0.4669(6) 0.5031(3) 0.3648(5) 0.123(2) Uani 1 1 d U .
C61 C 0.5221(6) 0.4646(3) 0.3446(5) 0.122(2) Uani 1 1 d DU .
H61A H 0.545(4) 0.457(2) 0.4130(16) 0.183 Uiso 1 1 d D .
H61B H 0.581(3) 0.470(2) 0.317(4) 0.183 Uiso 1 1 d D .
H61C H 0.465(4) 0.4492(18) 0.305(3) 0.183 Uiso 1 1 d D .
C62 C 0.5212(8) 0.4880(3) 0.0341(6) 0.0594(14) Uiso 0.50 1 d P 1
C63 C 0.5017(8) 0.4905(3) 0.0612(7) 0.0594(14) Uiso 0.50 1 d P 2
N5 N 0.5370(8) 0.4714(3) 0.1122(7) 0.110(3) Uiso 0.50 1 d P .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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_3
O6 Eu1 O5 71.44(5) .
O6 Eu1 O4 75.80(5) .
O5 Eu1 O4 83.89(6) .
O6 Eu1 O2 77.71(5) .
O5 Eu1 O2 147.38(5) .
O4 Eu1 O2 78.44(5) .
O6 Eu1 O3 136.58(5) .
O5 Eu1 O3 76.66(5) .
O4 Eu1 O3 72.17(5) .
O2 Eu1 O3 122.26(5) .
O6 Eu1 O1 141.51(5) .
O5 Eu1 O1 141.54(5) .
O4 Eu1 O1 117.74(5) .
O2 Eu1 O1 70.99(5) .
O3 Eu1 O1 80.46(5) .
O6 Eu1 N2 73.37(6) .
O5 Eu1 N2 103.27(6) .
O4 Eu1 N2 143.95(5) .
O2 Eu1 N2 77.17(6) .
O3 Eu1 N2 143.84(5) .
O1 Eu1 N2 78.24(6) .
O6 Eu1 N1 115.99(6) .
O5 Eu1 N1 75.87(6) .
O4 Eu1 N1 150.83(6) .
O2 Eu1 N1 128.91(6) .
O3 Eu1 N1 82.75(6) .
O1 Eu1 N1 70.87(6) .
N2 Eu1 N1 62.79(6) .
C2 N1 C1 117.8(2) .
C2 N1 Eu1 121.93(16) .
C1 N1 Eu1 119.28(14) .
C11 N2 C12 117.92(19) .
C11 N2 Eu1 121.79(15) .
C12 N2 Eu1 119.31(14) .
N1 C1 C5 122.6(2) .
N1 C1 C12 117.91(19) .
C5 C1 C12 119.5(2) .
N1 C2 C3 123.4(2) .
N1 C2 H2A 118.3 .
C3 C2 H2A 118.3 .
C4 C3 C2 119.0(2) .
C4 C3 H3A 120.5 .
C2 C3 H3A 120.5 .
C3 C4 C5 119.5(2) .
C3 C4 H4A 120.3 .
C5 C4 H4A 120.3 .
C4 C5 C1 117.7(2) .
C4 C5 C6 122.8(2) .
C1 C5 C6 119.5(2) .
C7 C6 C5 121.0(2) .
C7 C6 H6A 119.5 .
C5 C6 H6A 119.5 .
C6 C7 C8 121.1(2) .
C6 C7 H7A 119.4 .
C8 C7 H7A 119.4 .
C9 C8 C12 117.4(2) .
C9 C8 C7 123.1(2) .
C12 C8 C7 119.5(2) .
C10 C9 C8 119.8(2) .
C10 C9 H9A 120.1 .
C8 C9 H9A 120.1 .
C9 C10 C11 118.9(2) .
C9 C10 H10A 120.6 .
C11 C10 H10A 120.6 .
N2 C11 C10 123.3(2) .
N2 C11 H11A 118.3 .
C10 C11 H11A 118.3 .
N2 C12 C8 122.6(2) .
N2 C12 C1 118.09(19) .
C8 C12 C1 119.3(2) .
C13 O1 Eu1 135.72(14) .
C15 O2 Eu1 136.77(14) .
O1 C13 C14 123.8(2) .
O1 C13 C16 116.06(19) .
C14 C13 C16 120.1(2) .
C13 C14 C15 123.2(2) .
C13 C14 H14A 118.4 .
C15 C14 H14A 118.4 .
O2 C15 C14 125.0(2) .
O2 C15 C22 115.44(19) .
C14 C15 C22 119.5(2) .
C21 C16 C17 118.3(2) .
C21 C16 C13 118.2(2) .
C17 C16 C13 123.5(2) .
C18 C17 C16 120.3(2) .
C18 C17 H17A 119.8 .
C16 C17 H17A 119.8 .
C19 C18 C17 120.5(3) .
C19 C18 H18A 119.8 .
C17 C18 H18A 119.8 .
C18 C19 C20 119.8(3) .
C18 C19 H19A 120.1 .
C20 C19 H19A 120.1 .
C21 C20 C19 120.1(3) .
C21 C20 H20A 119.9 .
C19 C20 H20A 119.9 .
C20 C21 C16 121.0(2) .
C20 C21 H21A 119.5 .
C16 C21 H21A 119.5 .
C27 C22 C23 119.3(2) .
C27 C22 C15 118.4(2) .
C23 C22 C15 122.2(2) .
C24 C23 C22 119.7(3) .
C24 C23 H23A 120.2 .
C22 C23 H23A 120.2 .
C25 C24 C23 120.5(3) .
C25 C24 H24A 119.8 .
C23 C24 H24A 119.8 .
C24 C25 C26 120.4(3) .
C24 C25 H25A 119.8 .
C26 C25 H25A 119.8 .
C25 C26 C27 119.7(3) .
C25 C26 H26A 120.2 .
C27 C26 H26A 120.2 .
C26 C27 C22 120.3(3) .
C26 C27 H27A 119.9 .
C22 C27 H27A 119.9 .
C28 O3 Eu1 130.31(13) .
C30 O4 Eu1 133.15(14) .
O3 C28 C29 125.2(2) .
O3 C28 C31 116.46(19) .
C29 C28 C31 118.26(19) .
C28 C29 C30 124.0(2) .
C28 C29 H29A 118.0 .
C30 C29 H29A 118.0 .
O4 C30 C29 124.1(2) .
O4 C30 C37 115.96(19) .
C29 C30 C37 119.91(19) .
C36 C31 C32 118.7(2) .
C36 C31 C28 119.3(2) .
C32 C31 C28 122.0(2) .
C33 C32 C31 120.3(2) .
C33 C32 H32A 119.9 .
C31 C32 H32A 119.9 .
C34 C33 C32 120.5(2) .
C34 C33 H33A 119.7 .
C32 C33 H33A 119.7 .
C33 C34 C35 119.6(2) .
C33 C34 H34A 120.2 .
C35 C34 H34A 120.2 .
C34 C35 C36 120.3(2) .
C34 C35 H35A 119.8 .
C36 C35 H35A 119.8 .
C35 C36 C31 120.6(2) .
C35 C36 H36A 119.7 .
C31 C36 H36A 119.7 .
C42 C37 C38 118.3(2) .
C42 C37 C30 118.6(2) .
C38 C37 C30 123.0(2) .
C37 C38 C39 120.1(3) .
C37 C38 H38A 119.9 .
C39 C38 H38A 119.9 .
C40 C39 C38 120.8(3) .
C40 C39 H39A 119.6 .
C38 C39 H39A 119.6 .
C39 C40 C41 119.5(3) .
C39 C40 H40A 120.3 .
C41 C40 H40A 120.3 .
C40 C41 C42 119.9(3) .
C40 C41 H41A 120.0 .
C42 C41 H41A 120.0 .
C37 C42 C41 121.3(2) .
C37 C42 H42A 119.4 .
C41 C42 H42A 119.4 .
C43 O5 Eu1 133.93(14) .
C45 O6 Eu1 132.57(14) .
O5 C43 C44 124.0(2) .
O5 C43 C46 115.31(19) .
C44 C43 C46 120.67(19) .
C45 C44 C43 123.3(2) .
C45 C44 H44A 118.4 .
C43 C44 H44A 118.4 .
O6 C45 C44 124.6(2) .
O6 C45 C52 115.14(19) .
C44 C45 C52 120.24(19) .
C47 C46 C51 118.5(2) .
C47 C46 C43 123.4(2) .
C51 C46 C43 118.1(2) .
C48 C47 C46 120.6(2) .
C48 C47 H47A 119.7 .
C46 C47 H47A 119.7 .
C49 C48 C47 120.2(2) .
C49 C48 H48A 119.9 .
C47 C48 H48A 119.9 .
C50 C49 C48 119.9(2) .
C50 C49 H49A 120.1 .
C48 C49 H49A 120.1 .
C49 C50 C51 120.1(2) .
C49 C50 H50A 120.0 .
C51 C50 H50A 120.0 .
C50 C51 C46 120.7(2) .
C50 C51 H51A 119.7 .
C46 C51 H51A 119.7 .
C53 C52 C57 118.8(2) .
C53 C52 C45 124.0(2) .
C57 C52 C45 117.2(2) .
C54 C53 C52 120.3(2) .
C54 C53 H53A 119.8 .
C52 C53 H53A 119.8 .
C55 C54 C53 120.0(2) .
C55 C54 H54A 120.0 .
C53 C54 H54A 120.0 .
C54 C55 C56 120.0(2) .
C54 C55 H55A 120.0 .
C56 C55 H55A 120.0 .
C57 C56 C55 120.1(3) .
C57 C56 H56A 119.9 .
C55 C56 H56A 119.9 .
C56 C57 C52 120.6(2) .
C56 C57 H57A 119.7 .
C52 C57 H57A 119.7 .
C59 C58 H58A 114(3) .
C59 C58 H58B 113(3) .
H58A C58 H58B 107(2) .
C59 C58 H58C 110(3) .
H58A C58 H58C 105.7(19) .
H58B C58 H58C 105.6(19) .
N3 C59 C58 178.9(4) .
N4 C60 C61 174.0(7) .
C60 C61 H61A 94(5) .
C60 C61 H61B 110(5) .
H61A C61 H61B 114(2) .
C60 C61 H61C 106(5) .
H61A C61 H61C 115(2) .
H61B C61 H61C 116(2) .
N5 C62 C63 177.5(10) 3_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O6 2.3392(15) .
Eu1 O5 2.3407(15) .
Eu1 O4 2.3456(15) .
Eu1 O2 2.3586(15) .
Eu1 O3 2.3621(15) .
Eu1 O1 2.3625(15) .
Eu1 N2 2.6017(18) .
Eu1 N1 2.6070(18) .
N1 C2 1.322(3) .
N1 C1 1.359(3) .
N2 C11 1.326(3) .
N2 C12 1.355(3) .
C1 C5 1.405(3) .
C1 C12 1.439(3) .
C2 C3 1.398(3) .
C2 H2A 0.9500 .
C3 C4 1.368(4) .
C3 H3A 0.9500 .
C4 C5 1.401(3) .
C4 H4A 0.9500 .
C5 C6 1.435(3) .
C6 C7 1.341(4) .
C6 H6A 0.9500 .
C7 C8 1.431(3) .
C7 H7A 0.9500 .
C8 C9 1.401(3) .
C8 C12 1.410(3) .
C9 C10 1.364(4) .
C9 H9A 0.9500 .
C10 C11 1.398(3) .
C10 H10A 0.9500 .
C11 H11A 0.9500 .
O1 C13 1.263(3) .
O2 C15 1.267(3) .
C13 C14 1.397(3) .
C13 C16 1.498(3) .
C14 C15 1.402(3) .
C14 H14A 0.9500 .
C15 C22 1.492(3) .
C16 C21 1.391(3) .
C16 C17 1.391(3) .
C17 C18 1.390(4) .
C17 H17A 0.9500 .
C18 C19 1.369(4) .
C18 H18A 0.9500 .
C19 C20 1.380(4) .
C19 H19A 0.9500 .
C20 C21 1.377(3) .
C20 H20A 0.9500 .
C21 H21A 0.9500 .
C22 C27 1.391(3) .
C22 C23 1.395(3) .
C23 C24 1.384(4) .
C23 H23A 0.9500 .
C24 C25 1.372(4) .
C24 H24A 0.9500 .
C25 C26 1.381(4) .
C25 H25A 0.9500 .
C26 C27 1.385(4) .
C26 H26A 0.9500 .
C27 H27A 0.9500 .
O3 C28 1.272(3) .
O4 C30 1.266(3) .
C28 C29 1.398(3) .
C28 C31 1.496(3) .
C29 C30 1.403(3) .
C29 H29A 0.9500 .
C30 C37 1.499(3) .
C31 C36 1.386(3) .
C31 C32 1.392(3) .
C32 C33 1.384(3) .
C32 H32A 0.9500 .
C33 C34 1.376(4) .
C33 H33A 0.9500 .
C34 C35 1.377(4) .
C34 H34A 0.9500 .
C35 C36 1.382(3) .
C35 H35A 0.9500 .
C36 H36A 0.9500 .
C37 C42 1.382(3) .
C37 C38 1.383(3) .
C38 C39 1.388(4) .
C38 H38A 0.9500 .
C39 C40 1.370(4) .
C39 H39A 0.9500 .
C40 C41 1.370(4) .
C40 H40A 0.9500 .
C41 C42 1.383(4) .
C41 H41A 0.9500 .
C42 H42A 0.9500 .
O5 C43 1.265(3) .
O6 C45 1.263(3) .
C43 C44 1.405(3) .
C43 C46 1.499(3) .
C44 C45 1.400(3) .
C44 H44A 0.9500 .
C45 C52 1.499(3) .
C46 C47 1.391(3) .
C46 C51 1.395(3) .
C47 C48 1.384(3) .
C47 H47A 0.9500 .
C48 C49 1.381(4) .
C48 H48A 0.9500 .
C49 C50 1.379(4) .
C49 H49A 0.9500 .
C50 C51 1.385(3) .
C50 H50A 0.9500 .
C51 H51A 0.9500 .
C52 C53 1.390(3) .
C52 C57 1.391(3) .
C53 C54 1.388(3) .
C53 H53A 0.9500 .
C54 C55 1.377(4) .
C54 H54A 0.9500 .
C55 C56 1.382(4) .
C55 H55A 0.9500 .
C56 C57 1.377(4) .
C56 H56A 0.9500 .
C57 H57A 0.9500 .
N3 C59 1.125(4) .
C58 C59 1.453(4) .
C58 H58A 0.896(10) .
C58 H58B 0.895(10) .
C58 H58C 0.907(10) .
N4 C60 1.248(10) .
C60 C61 1.494(11) .
C61 H61A 0.919(10) .
C61 H61B 0.904(10) .
C61 H61C 0.900(10) .
C62 N5 1.155(12) .
C62 C63 1.428(9) 3_665
C63 C62 1.428(9) 3_665
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
C2 H2A O3 0.95 2.66 3.266(3) 122.5 .
C10 H10A N4 0.95 2.66 3.401(6) 135.3 3_666
C11 H11A O6 0.95 2.62 3.113(3) 112.6 .
C61 H61A N4 0.919(10) 2.57(3) 3.438(10) 157(6) 3_666
C61 H61B N5 0.904(10) 2.67(4) 3.197(12) 118(4) .
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
O6 Eu1 N1 C2 126.27(19)
O5 Eu1 N1 C2 65.47(19)
O4 Eu1 N1 C2 18.0(3)
O2 Eu1 N1 C2 -138.61(18)
O3 Eu1 N1 C2 -12.54(19)
O1 Eu1 N1 C2 -94.92(19)
N2 Eu1 N1 C2 178.8(2)
O6 Eu1 N1 C1 -65.09(17)
O5 Eu1 N1 C1 -125.89(17)
O4 Eu1 N1 C1 -173.36(14)
O2 Eu1 N1 C1 30.03(19)
O3 Eu1 N1 C1 156.10(16)
O1 Eu1 N1 C1 73.73(16)
N2 Eu1 N1 C1 -12.59(15)
O6 Eu1 N2 C11 -45.84(18)
O5 Eu1 N2 C11 -111.52(18)
O4 Eu1 N2 C11 -13.6(2)
O2 Eu1 N2 C11 34.97(18)
O3 Eu1 N2 C11 163.01(16)
O1 Eu1 N2 C11 107.88(18)
N1 Eu1 N2 C11 -177.7(2)
O6 Eu1 N2 C12 145.78(17)
O5 Eu1 N2 C12 80.09(16)
O4 Eu1 N2 C12 178.04(14)
O2 Eu1 N2 C12 -133.42(17)
O3 Eu1 N2 C12 -5.4(2)
O1 Eu1 N2 C12 -60.50(16)
N1 Eu1 N2 C12 13.87(15)
C2 N1 C1 C5 0.0(3)
Eu1 N1 C1 C5 -169.14(16)
C2 N1 C1 C12 -179.9(2)
Eu1 N1 C1 C12 11.0(3)
C1 N1 C2 C3 0.8(4)
Eu1 N1 C2 C3 169.6(2)
N1 C2 C3 C4 -0.8(5)
C2 C3 C4 C5 0.1(4)
C3 C4 C5 C1 0.6(4)
C3 C4 C5 C6 -178.3(3)
N1 C1 C5 C4 -0.7(3)
C12 C1 C5 C4 179.2(2)
N1 C1 C5 C6 178.3(2)
C12 C1 C5 C6 -1.8(3)
C4 C5 C6 C7 179.9(2)
C1 C5 C6 C7 0.9(4)
C5 C6 C7 C8 0.5(4)
C6 C7 C8 C9 178.0(2)
C6 C7 C8 C12 -1.0(3)
C12 C8 C9 C10 2.7(3)
C7 C8 C9 C10 -176.3(2)
C8 C9 C10 C11 -2.8(4)
C12 N2 C11 C10 2.1(4)
Eu1 N2 C11 C10 -166.46(19)
C9 C10 C11 N2 0.4(4)
C11 N2 C12 C8 -2.1(3)
Eu1 N2 C12 C8 166.68(16)
C11 N2 C12 C1 176.6(2)
Eu1 N2 C12 C1 -14.6(3)
C9 C8 C12 N2 -0.2(3)
C7 C8 C12 N2 178.8(2)
C9 C8 C12 C1 -178.9(2)
C7 C8 C12 C1 0.1(3)
N1 C1 C12 N2 2.4(3)
C5 C1 C12 N2 -177.5(2)
N1 C1 C12 C8 -178.9(2)
C5 C1 C12 C8 1.2(3)
O6 Eu1 O1 C13 -13.5(2)
O5 Eu1 O1 C13 -153.12(18)
O4 Eu1 O1 C13 88.9(2)
O2 Eu1 O1 C13 23.8(2)
O3 Eu1 O1 C13 152.9(2)
N2 Eu1 O1 C13 -56.5(2)
N1 Eu1 O1 C13 -121.6(2)
O6 Eu1 O2 C15 144.1(2)
O5 Eu1 O2 C15 163.27(18)
O4 Eu1 O2 C15 -138.1(2)
O3 Eu1 O2 C15 -78.0(2)
O1 Eu1 O2 C15 -13.2(2)
N2 Eu1 O2 C15 68.6(2)
N1 Eu1 O2 C15 30.5(2)
Eu1 O1 C13 C14 -27.9(3)
Eu1 O1 C13 C16 149.59(15)
O1 C13 C14 C15 10.1(4)
C16 C13 C14 C15 -167.2(2)
Eu1 O2 C15 C14 7.1(3)
Eu1 O2 C15 C22 -170.79(14)
C13 C14 C15 O2 -0.3(4)
C13 C14 C15 C22 177.6(2)
O1 C13 C16 C21 -12.4(3)
C14 C13 C16 C21 165.2(2)
O1 C13 C16 C17 170.3(2)
C14 C13 C16 C17 -12.1(3)
C21 C16 C17 C18 -0.9(4)
C13 C16 C17 C18 176.4(3)
C16 C17 C18 C19 0.1(5)
C17 C18 C19 C20 0.4(6)
C18 C19 C20 C21 -0.1(5)
C19 C20 C21 C16 -0.7(5)
C17 C16 C21 C20 1.2(4)
C13 C16 C21 C20 -176.2(2)
O2 C15 C22 C27 31.3(3)
C14 C15 C22 C27 -146.7(2)
O2 C15 C22 C23 -144.4(2)
C14 C15 C22 C23 37.6(3)
C27 C22 C23 C24 -3.1(4)
C15 C22 C23 C24 172.6(2)
C22 C23 C24 C25 0.8(4)
C23 C24 C25 C26 2.5(5)
C24 C25 C26 C27 -3.5(4)
C25 C26 C27 C22 1.1(4)
C23 C22 C27 C26 2.2(4)
C15 C22 C27 C26 -173.7(2)
O6 Eu1 O3 C28 10.7(2)
O5 Eu1 O3 C28 54.16(18)
O4 Eu1 O3 C28 -33.63(18)
O2 Eu1 O3 C28 -96.77(18)
O1 Eu1 O3 C28 -156.99(19)
N2 Eu1 O3 C28 148.48(17)
N1 Eu1 O3 C28 131.29(19)
O6 Eu1 O4 C30 -119.8(2)
O5 Eu1 O4 C30 -47.45(19)
O2 Eu1 O4 C30 160.1(2)
O3 Eu1 O4 C30 30.47(19)
O1 Eu1 O4 C30 99.01(19)
N2 Eu1 O4 C30 -151.65(18)
N1 Eu1 O4 C30 -1.5(3)
Eu1 O3 C28 C29 27.1(3)
Eu1 O3 C28 C31 -155.45(14)
O3 C28 C29 C30 2.7(4)
C31 C28 C29 C30 -174.6(2)
Eu1 O4 C30 C29 -19.3(3)
Eu1 O4 C30 C37 161.01(14)
C28 C29 C30 O4 -7.2(4)
C28 C29 C30 C37 172.4(2)
O3 C28 C31 C36 -33.5(3)
C29 C28 C31 C36 144.1(2)
O3 C28 C31 C32 146.9(2)
C29 C28 C31 C32 -35.5(3)
C36 C31 C32 C33 -0.2(4)
C28 C31 C32 C33 179.4(2)
C31 C32 C33 C34 -1.7(4)
C32 C33 C34 C35 1.7(4)
C33 C34 C35 C36 0.4(4)
C34 C35 C36 C31 -2.4(4)
C32 C31 C36 C35 2.3(4)
C28 C31 C36 C35 -177.4(2)
O4 C30 C37 C42 -24.6(3)
C29 C30 C37 C42 155.7(2)
O4 C30 C37 C38 152.9(2)
C29 C30 C37 C38 -26.8(3)
C42 C37 C38 C39 -0.4(4)
C30 C37 C38 C39 -177.9(3)
C37 C38 C39 C40 -0.3(5)
C38 C39 C40 C41 0.4(5)
C39 C40 C41 C42 0.3(5)
C38 C37 C42 C41 1.1(4)
C30 C37 C42 C41 178.7(3)
C40 C41 C42 C37 -1.0(5)
O6 Eu1 O5 C43 29.73(19)
O4 Eu1 O5 C43 -47.31(19)
O2 Eu1 O5 C43 10.0(2)
O3 Eu1 O5 C43 -120.4(2)
O1 Eu1 O5 C43 -175.47(17)
N2 Eu1 O5 C43 96.8(2)
N1 Eu1 O5 C43 153.9(2)
O5 Eu1 O6 C45 -32.92(18)
O4 Eu1 O6 C45 55.32(19)
O2 Eu1 O6 C45 136.3(2)
O3 Eu1 O6 C45 11.9(2)
O1 Eu1 O6 C45 172.26(17)
N2 Eu1 O6 C45 -143.6(2)
N1 Eu1 O6 C45 -96.17(19)
Eu1 O5 C43 C44 -20.5(3)
Eu1 O5 C43 C46 159.61(14)
O5 C43 C44 C45 -4.2(4)
C46 C43 C44 C45 175.7(2)
Eu1 O6 C45 C44 27.5(3)
Eu1 O6 C45 C52 -151.27(15)
C43 C44 C45 O6 0.6(4)
C43 C44 C45 C52 179.3(2)
O5 C43 C46 C47 166.5(2)
C44 C43 C46 C47 -13.4(3)
O5 C43 C46 C51 -12.5(3)
C44 C43 C46 C51 167.6(2)
C51 C46 C47 C48 1.0(3)
C43 C46 C47 C48 -178.0(2)
C46 C47 C48 C49 -0.9(4)
C47 C48 C49 C50 0.0(4)
C48 C49 C50 C51 0.8(4)
C49 C50 C51 C46 -0.7(4)
C47 C46 C51 C50 -0.2(3)
C43 C46 C51 C50 178.9(2)
O6 C45 C52 C53 -153.6(2)
C44 C45 C52 C53 27.6(3)
O6 C45 C52 C57 26.1(3)
C44 C45 C52 C57 -152.7(2)
C57 C52 C53 C54 0.2(4)
C45 C52 C53 C54 179.9(2)
C52 C53 C54 C55 0.7(4)
C53 C54 C55 C56 -1.0(5)
C54 C55 C56 C57 0.4(5)
C55 C56 C57 C52 0.6(5)
C53 C52 C57 C56 -0.8(4)
C45 C52 C57 C56 179.4(3)
