#------------------------------------------------------------------------------
#$Date: 2020-06-05 13:55:59 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/40/7704030.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_7704030
loop_
_publ_author_name
'De Bellis, Jacopo'
'Bellucci, Luca'
'Bottaro, Gregorio'
'Labella, Luca'
'Marchetti, Fabio'
'Samaritani, Simona'
'Belli Dell'Amico, Daniela'
'Armelao, Lidia'
_publ_section_title
;
 Single-crystal-to-single-crystal post-synthetic modifications of
 three-dimensional LOFs (Ln = Gd, Eu): a way to modulate their
 luminescence and thermometric properties.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6030
_journal_page_last               6042
_journal_paper_doi               10.1039/d0dt00449a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C18 H20 Eu N2 O11, C3 H7 N O'
_chemical_formula_sum            'C21 H27 Eu N3 O12'
_chemical_formula_weight         665.41
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-09-30 deposited with the CCDC.	2020-04-08 downloaded from the CCDC.
;
_cell_angle_alpha                103.931(2)
_cell_angle_beta                 109.833(2)
_cell_angle_gamma                96.579(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5305(5)
_cell_length_b                   11.0781(5)
_cell_length_c                   12.7670(6)
_cell_measurement_reflns_used    9863
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.96
_cell_measurement_theta_min      2.86
_cell_volume                     1328.03(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28366
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.103
_diffrn_reflns_theta_min         2.864
_exptl_absorpt_coefficient_mu    2.426
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6370
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_description       Prism
_exptl_crystal_F_000             666
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.085
_refine_diff_density_max         1.905
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         7703
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0247
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0391P)²+0.2206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0608
_refine_ls_wR_factor_ref         0.0632
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6876
_reflns_number_total             7703
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00449a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7704030--7704032.cif.
;
_cod_database_code               7704030
_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   0.743
_shelx_estimated_absorpt_t_max   0.820
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 0.10220(2) 0.54769(2) 0.68139(2) 0.02268(4) Uani 1 1 d . . . . .
O1 O 0.3296(2) 0.68965(19) 0.78196(19) 0.0495(5) Uani 1 1 d . . . . .
O2 O 0.1750(2) 0.75531(17) 0.84850(15) 0.0394(4) Uani 1 1 d . . . . .
C1 C 0.2956(3) 0.7723(2) 0.8477(2) 0.0325(5) Uani 1 1 d . . . . .
C2 C 0.3998(3) 0.8908(2) 0.92618(19) 0.0315(5) Uani 1 1 d . . . . .
C3 C 0.5361(3) 0.9023(2) 0.9321(2) 0.0363(5) Uani 1 1 d . . . . .
H3 H 0.5600 0.8366 0.8867 0.044 Uiso 1 1 calc R U . . .
C4 C 0.3643(3) 0.9893(2) 0.9950(2) 0.0353(5) Uani 1 1 d . U . . .
O3 O 0.2351(3) 0.9875(3) 0.9963(3) 0.0677(7) Uani 1 1 d . U . . .
H3-O H 0.1829 0.9204 0.9511 0.102 Uiso 1 1 calc R U . . .
O4 O -0.15738(18) 0.50720(17) 0.48484(16) 0.0352(4) Uani 1 1 d . . . . .
O5 O -0.12691(18) 0.57079(19) 0.67029(16) 0.0383(4) Uani 1 1 d . . . . .
C5 C -0.2060(2) 0.5317(2) 0.5630(2) 0.0305(5) Uani 1 1 d . . . . .
C6 C -0.3572(2) 0.5159(2) 0.5320(2) 0.0295(5) Uani 1 1 d . . . . .
C7 C -0.4466(3) 0.4644(3) 0.4152(2) 0.0359(5) Uani 1 1 d . . . . .
H7 H -0.4102 0.4401 0.3584 0.043 Uiso 1 1 calc R U . . .
C8 C -0.4126(3) 0.5511(3) 0.6173(2) 0.0351(5) Uani 1 1 d . . . . .
O6 O -0.3324(2) 0.6020(3) 0.73303(17) 0.0606(7) Uani 1 1 d . . . . .
H6-O H -0.2507 0.6069 0.7424 0.091 Uiso 1 1 calc R U . . .
O7 O -0.0177(2) 0.33288(15) 0.58747(15) 0.0347(4) Uani 1 1 d . . . . .
O8 O -0.0740(2) 0.27412(15) 0.39474(14) 0.0367(4) Uani 1 1 d . . . . .
C9 C -0.0394(3) 0.2524(2) 0.4922(2) 0.0288(5) Uani 1 1 d . . . . .
C10 C -0.0220(3) 0.1206(2) 0.4936(2) 0.0306(5) Uani 1 1 d . . . . .
C11 C 0.0014(3) 0.0889(2) 0.5963(2) 0.0387(6) Uani 1 1 d . . . . .
H11 H 0.0025 0.1494 0.6615 0.046 Uiso 1 1 calc R U . . .
C12 C -0.0232(3) 0.0300(2) 0.3950(2) 0.0371(6) Uani 1 1 d . . . . .
O9 O -0.0461(3) 0.0512(2) 0.29070(18) 0.0666(8) Uani 1 1 d . . . . .
H9-O H -0.0588 0.1236 0.2951 0.100 Uiso 1 1 calc R U . . .
O10 O 0.0693(2) 0.4779(2) 0.83816(17) 0.0481(5) Uani 1 1 d . . . . .
C13 C -0.0194(4) 0.3865(3) 0.8264(3) 0.0504(7) Uani 1 1 d . . . . .
H13 H -0.1045 0.3691 0.7652 0.060 Uiso 1 1 calc R U . . .
N1 N -0.0020(4) 0.3127(3) 0.8939(2) 0.0608(8) Uani 1 1 d . . . . .
C14 C 0.1245(7) 0.3344(6) 0.9922(5) 0.132(3) Uani 1 1 d . . . . .
H14A H 0.1180 0.2710 1.0309 0.197 Uiso 1 1 calc R U . . .
H14B H 0.1997 0.3295 0.9661 0.197 Uiso 1 1 calc R U . . .
H14C H 0.1405 0.4174 1.0455 0.197 Uiso 1 1 calc R U . . .
C15 C -0.1114(6) 0.2069(5) 0.8749(5) 0.1019(18) Uani 1 1 d . . . . .
H15A H -0.0793 0.1642 0.9329 0.153 Uiso 1 1 calc R U . . .
H15B H -0.1906 0.2387 0.8805 0.153 Uiso 1 1 calc R U . . .
H15C H -0.1364 0.1481 0.7987 0.153 Uiso 1 1 calc R U . . .
O11A O 0.2650(8) 0.4105(6) 0.7337(8) 0.0508(16) Uani 0.678(9) 1 d D . P A 1
C16A C 0.3870(5) 0.4256(5) 0.7975(4) 0.0483(14) Uani 0.678(9) 1 d D . P A 1
H16A H 0.4442 0.5050 0.8182 0.058 Uiso 0.678(9) 1 calc R U P A 1
N2A N 0.4418(9) 0.3385(7) 0.8383(8) 0.0567(19) Uani 0.678(9) 1 d D . P A 1
C17A C 0.3608(9) 0.2116(9) 0.8073(9) 0.103(3) Uani 0.678(9) 1 d D . P A 1
H17A H 0.4177 0.1606 0.8451 0.155 Uiso 0.678(9) 1 calc R U P A 1
H17B H 0.2845 0.2160 0.8321 0.155 Uiso 0.678(9) 1 calc R U P A 1
H17C H 0.3264 0.1738 0.7243 0.155 Uiso 0.678(9) 1 calc R U P A 1
C18A C 0.5891(8) 0.3596(9) 0.9063(8) 0.106(3) Uani 0.678(9) 1 d D . P A 1
H18A H 0.6091 0.2848 0.9282 0.159 Uiso 0.678(9) 1 calc R U P A 1
H18B H 0.6404 0.3776 0.8604 0.159 Uiso 0.678(9) 1 calc R U P A 1
H18C H 0.6148 0.4305 0.9753 0.159 Uiso 0.678(9) 1 calc R U P A 1
O11B O 0.2897(18) 0.4482(10) 0.7580(18) 0.050(3) Uani 0.322(9) 1 d D . P A 2
C16B C 0.2991(9) 0.3369(9) 0.7510(9) 0.054(3) Uani 0.322(9) 1 d D . P A 2
H16B H 0.2211 0.2733 0.7029 0.064 Uiso 0.322(9) 1 calc R U P A 2
N2B N 0.4109(13) 0.3019(12) 0.8062(16) 0.050(4) Uani 0.322(9) 1 d D . P A 2
C17B C 0.4136(19) 0.1685(12) 0.7923(18) 0.099(7) Uani 0.322(9) 1 d D . P A 2
H17D H 0.5037 0.1610 0.8392 0.149 Uiso 0.322(9) 1 calc R U P A 2
H17E H 0.3459 0.1311 0.8166 0.149 Uiso 0.322(9) 1 calc R U P A 2
H17F H 0.3931 0.1250 0.7118 0.149 Uiso 0.322(9) 1 calc R U P A 2
C18B C 0.5432(15) 0.3925(15) 0.8683(18) 0.118(8) Uani 0.322(9) 1 d D . P A 2
H18D H 0.6129 0.3498 0.9033 0.178 Uiso 0.322(9) 1 calc R U P A 2
H18E H 0.5680 0.4278 0.8145 0.178 Uiso 0.322(9) 1 calc R U P A 2
H18F H 0.5357 0.4596 0.9280 0.178 Uiso 0.322(9) 1 calc R U P A 2
O12A O 0.603(4) 0.2257(18) 0.6480(16) 0.153(11) Uani 0.549(12) 1 d D U P B 1
N3A N 0.492(2) 0.1506(9) 0.4510(10) 0.089(5) Uani 0.549(12) 1 d D U P B 1
C19A C 0.5962(13) 0.1904(12) 0.5403(12) 0.115(4) Uani 0.549(12) 1 d D U P B 1
H19A H 0.6800 0.1961 0.5305 0.138 Uiso 0.549(12) 1 calc R U P B 1
C20A C 0.453(2) 0.1095(17) 0.3362(10) 0.161(8) Uani 0.549(12) 1 d D U P B 1
H20A H 0.3539 0.0875 0.3002 0.242 Uiso 0.549(12) 1 calc R U P B 1
H20B H 0.4875 0.1754 0.3097 0.242 Uiso 0.549(12) 1 calc R U P B 1
H20C H 0.4895 0.0358 0.3154 0.242 Uiso 0.549(12) 1 calc R U P B 1
C21A C 0.3486(14) 0.1450(13) 0.4807(16) 0.144(6) Uani 0.549(12) 1 d D U P B 1
H21A H 0.2688 0.1135 0.4091 0.216 Uiso 0.549(12) 1 calc R U P B 1
H21B H 0.3485 0.0893 0.5278 0.216 Uiso 0.549(12) 1 calc R U P B 1
H21C H 0.3465 0.2289 0.5222 0.216 Uiso 0.549(12) 1 calc R U P B 1
O12B O 0.637(5) 0.237(2) 0.6359(17) 0.144(13) Uani 0.451(12) 1 d D U P B 2
N3B N 0.465(2) 0.1541(14) 0.4577(12) 0.085(5) Uani 0.451(12) 1 d D U P B 2
C19B C 0.5060(15) 0.2038(14) 0.5638(12) 0.105(4) Uani 0.451(12) 1 d D U P B 2
H19B H 0.4398 0.2194 0.5956 0.125 Uiso 0.451(12) 1 calc R U P B 2
C20B C 0.3504(15) 0.1153(17) 0.3633(15) 0.145(8) Uani 0.451(12) 1 d D U P B 2
H20D H 0.3721 0.0806 0.2965 0.218 Uiso 0.451(12) 1 calc R U P B 2
H20E H 0.2879 0.0511 0.3711 0.218 Uiso 0.451(12) 1 calc R U P B 2
H20F H 0.3079 0.1861 0.3533 0.218 Uiso 0.451(12) 1 calc R U P B 2
C21B C 0.5989(17) 0.1410(15) 0.4165(16) 0.127(6) Uani 0.451(12) 1 d D U P B 2
H21D H 0.5654 0.1021 0.3337 0.191 Uiso 0.451(12) 1 calc R U P B 2
H21E H 0.6551 0.2241 0.4367 0.191 Uiso 0.451(12) 1 calc R U P B 2
H21F H 0.6532 0.0894 0.4556 0.191 Uiso 0.451(12) 1 calc R U P B 2
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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu1 O7 76.85(6) 2_566 . ?
O4 Eu1 O11A 78.5(3) 2_566 . ?
O7 Eu1 O11A 71.65(16) . . ?
O4 Eu1 O8 75.84(6) 2_566 2_566 ?
O7 Eu1 O8 127.60(6) . 2_566 ?
O11A Eu1 O8 141.9(3) . 2_566 ?
O4 Eu1 O5 122.45(6) 2_566 . ?
O7 Eu1 O5 80.56(7) . . ?
O11A Eu1 O5 140.3(3) . . ?
O8 Eu1 O5 77.78(7) 2_566 . ?
O4 Eu1 O10 145.65(7) 2_566 . ?
O7 Eu1 O10 76.80(7) . . ?
O11A Eu1 O10 72.6(3) . . ?
O8 Eu1 O10 138.38(7) 2_566 . ?
O5 Eu1 O10 73.92(7) . . ?
O4 Eu1 O1 87.64(7) 2_566 . ?
O7 Eu1 O1 144.78(7) . . ?
O11A Eu1 O1 74.37(18) . . ?
O8 Eu1 O1 76.85(7) 2_566 . ?
O5 Eu1 O1 133.52(7) . . ?
O10 Eu1 O1 101.67(8) . . ?
O4 Eu1 O11B 82.2(7) 2_566 . ?
O7 Eu1 O11B 81.9(3) . . ?
O8 Eu1 O11B 136.1(6) 2_566 . ?
O5 Eu1 O11B 144.9(7) . . ?
O10 Eu1 O11B 72.6(7) . . ?
O1 Eu1 O11B 64.6(4) . . ?
O4 Eu1 O2 131.26(6) 2_566 . ?
O7 Eu1 O2 151.88(6) . . ?
O11A Eu1 O2 109.37(17) . . ?
O8 Eu1 O2 69.72(6) 2_566 . ?
O5 Eu1 O2 82.74(6) . . ?
O10 Eu1 O2 76.92(7) . . ?
O1 Eu1 O2 52.03(7) . . ?
O11B Eu1 O2 99.5(3) . . ?
O4 Eu1 C1 109.37(7) 2_566 . ?
O7 Eu1 C1 162.00(7) . . ?
O11A Eu1 C1 92.67(15) . . ?
O8 Eu1 C1 70.28(6) 2_566 . ?
O5 Eu1 C1 108.18(7) . . ?
O10 Eu1 C1 90.31(7) . . ?
O1 Eu1 C1 25.85(7) . . ?
O11B Eu1 C1 82.2(3) . . ?
O2 Eu1 C1 26.23(7) . . ?
O4 Eu1 O4 74.92(6) 2_566 . ?
O7 Eu1 O4 64.56(6) . . ?
O11A Eu1 O4 132.61(16) . . ?
O8 Eu1 O4 65.56(6) 2_566 . ?
O5 Eu1 O4 47.60(5) . . ?
O10 Eu1 O4 112.28(7) . . ?
O1 Eu1 O4 141.28(7) . . ?
O11B Eu1 O4 142.7(3) . . ?
O2 Eu1 O4 117.71(6) . . ?
C1 Eu1 O4 132.97(6) . . ?
O4 Eu1 C5 99.15(6) 2_566 . ?
O7 Eu1 C5 69.37(6) . . ?
O11A Eu1 C5 140.38(18) . . ?
O8 Eu1 C5 71.99(7) 2_566 . ?
O5 Eu1 C5 23.51(6) . . ?
O10 Eu1 C5 91.77(7) . . ?
O1 Eu1 C5 145.23(7) . . ?
O11B Eu1 C5 149.9(4) . . ?
O2 Eu1 C5 101.69(6) . . ?
C1 Eu1 C5 124.31(7) . . ?
O4 Eu1 C5 24.24(6) . . ?
C1 O1 Eu1 96.51(16) . . ?
C1 O2 Eu1 90.47(14) . . ?
O1 C1 O2 120.8(2) . . ?
O1 C1 C2 119.1(2) . . ?
O2 C1 C2 120.1(2) . . ?
O1 C1 Eu1 57.64(13) . . ?
O2 C1 Eu1 63.30(12) . . ?
C2 C1 Eu1 175.18(18) . . ?
C4 C2 C3 119.7(2) . . ?
C4 C2 C1 121.2(2) . . ?
C3 C2 C1 119.1(2) . . ?
C4 C3 C2 120.5(2) 2_677 . ?
C4 C3 H3 119.8 2_677 . ?
C2 C3 H3 119.8 . . ?
O3 C4 C3 115.8(2) . 2_677 ?
O3 C4 C2 124.4(2) . . ?
C3 C4 C2 119.8(2) 2_677 . ?
C4 O3 H3-O 109.5 . . ?
C5 O4 Eu1 171.15(17) . 2_566 ?
C5 O4 Eu1 83.64(14) . . ?
Eu1 O4 Eu1 105.08(6) 2_566 . ?
C5 O5 Eu1 107.18(15) . . ?
O4 C5 O5 120.9(2) . . ?
O4 C5 C6 120.7(2) . . ?
O5 C5 C6 118.5(2) . . ?
O4 C5 Eu1 72.12(13) . . ?
O5 C5 Eu1 49.31(12) . . ?
C6 C5 Eu1 165.49(17) . . ?
C7 C6 C8 119.1(2) . . ?
C7 C6 C5 119.5(2) . . ?
C8 C6 C5 121.4(2) . . ?
C8 C7 C6 121.3(2) 2_466 . ?
C8 C7 H7 119.4 2_466 . ?
C6 C7 H7 119.4 . . ?
O6 C8 C7 117.7(2) . 2_466 ?
O6 C8 C6 122.7(2) . . ?
C7 C8 C6 119.6(2) 2_466 . ?
C8 O6 H6-O 109.5 . . ?
C9 O7 Eu1 135.30(16) . . ?
C9 O8 Eu1 138.76(15) . 2_566 ?
O7 C9 O8 125.0(2) . . ?
O7 C9 C10 117.7(2) . . ?
O8 C9 C10 117.3(2) . . ?
C11 C10 C12 119.2(2) . . ?
C11 C10 C9 119.1(2) . . ?
C12 C10 C9 121.6(2) . . ?
C12 C11 C10 122.2(2) 2_556 . ?
C12 C11 H11 118.9 2_556 . ?
C10 C11 H11 118.9 . . ?
O9 C12 C11 117.6(2) . 2_556 ?
O9 C12 C10 123.8(2) . . ?
C11 C12 C10 118.6(2) 2_556 . ?
C12 O9 H9-O 109.5 . . ?
C13 O10 Eu1 125.88(19) . . ?
O10 C13 N1 124.8(3) . . ?
O10 C13 H13 117.6 . . ?
N1 C13 H13 117.6 . . ?
C13 N1 C14 121.4(4) . . ?
C13 N1 C15 121.7(4) . . ?
C14 N1 C15 116.8(4) . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 H15A 109.5 . . ?
N1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16A O11A Eu1 136.5(5) . . ?
N2A C16A O11A 124.8(6) . . ?
N2A C16A H16A 117.6 . . ?
O11A C16A H16A 117.6 . . ?
C16A N2A C18A 122.0(8) . . ?
C16A N2A C17A 121.0(7) . . ?
C18A N2A C17A 116.8(6) . . ?
N2A C17A H17A 109.5 . . ?
N2A C17A H17B 109.5 . . ?
H17A C17A H17B 109.5 . . ?
N2A C17A H17C 109.5 . . ?
H17A C17A H17C 109.5 . . ?
H17B C17A H17C 109.5 . . ?
N2A C18A H18A 109.5 . . ?
N2A C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
N2A C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C16B O11B Eu1 133.8(11) . . ?
O11B C16B N2B 124.6(9) . . ?
O11B C16B H16B 117.7 . . ?
N2B C16B H16B 117.7 . . ?
C16B N2B C18B 121.3(10) . . ?
C16B N2B C17B 121.2(10) . . ?
C18B N2B C17B 116.8(8) . . ?
N2B C17B H17D 109.5 . . ?
N2B C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
N2B C17B H17F 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?
N2B C18B H18D 109.5 . . ?
N2B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
N2B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C19A N3A C20A 141(2) . . ?
C19A N3A C21A 111.6(15) . . ?
C20A N3A C21A 107.7(14) . . ?
N3A C19A O12A 127(2) . . ?
N3A C19A H19A 116.4 . . ?
O12A C19A H19A 116.4 . . ?
N3A C20A H20A 109.5 . . ?
N3A C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
N3A C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
N3A C21A H21A 109.5 . . ?
N3A C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
N3A C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C19B N3B C20B 141(2) . . ?
C19B N3B C21B 110.4(15) . . ?
C20B N3B C21B 108.2(15) . . ?
N3B C19B O12B 125(2) . . ?
N3B C19B H19B 117.5 . . ?
O12B C19B H19B 117.5 . . ?
N3B C20B H20D 109.5 . . ?
N3B C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
N3B C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
N3B C21B H21D 109.5 . . ?
N3B C21B H21E 109.5 . . ?
H21D C21B H21E 109.5 . . ?
N3B C21B H21F 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
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 O4 2.3468(18) 2_566 ?
Eu1 O7 2.3676(16) . ?
Eu1 O11A 2.450(5) . ?
Eu1 O8 2.4067(16) 2_566 ?
Eu1 O5 2.4153(18) . ?
Eu1 O10 2.4241(19) . ?
Eu1 O1 2.436(2) . ?
Eu1 O11B 2.404(11) . ?
Eu1 O2 2.5599(18) . ?
Eu1 C1 2.865(2) . ?
Eu1 O4 2.9143(19) . ?
Eu1 C5 3.043(2) . ?
O1 C1 1.257(3) . ?
O2 C1 1.267(3) . ?
C1 C2 1.490(3) . ?
C2 C4 1.399(4) . ?
C2 C3 1.401(4) . ?
C3 C4 1.385(3) 2_677 ?
C3 H3 0.9300 . ?
C4 O3 1.365(4) . ?
C4 C3 1.385(3) 2_677 ?
O3 H3-O 0.8200 . ?
O4 C5 1.257(3) . ?
O4 Eu1 2.3468(17) 2_566 ?
O5 C5 1.271(3) . ?
C5 C6 1.482(3) . ?
C6 C7 1.396(3) . ?
C6 C8 1.399(3) . ?
C7 C8 1.375(3) 2_466 ?
C7 H7 0.9300 . ?
C8 O6 1.363(3) . ?
C8 C7 1.375(3) 2_466 ?
O6 H6-O 0.8200 . ?
O7 C9 1.253(3) . ?
O8 C9 1.263(3) . ?
O8 Eu1 2.4066(16) 2_566 ?
C9 C10 1.496(3) . ?
C10 C11 1.388(3) . ?
C10 C12 1.403(3) . ?
C11 C12 1.386(3) 2_556 ?
C11 H11 0.9300 . ?
C12 O9 1.354(3) . ?
C12 C11 1.386(3) 2_556 ?
O9 H9-O 0.8200 . ?
O10 C13 1.239(4) . ?
C13 N1 1.307(4) . ?
C13 H13 0.9300 . ?
N1 C14 1.434(6) . ?
N1 C15 1.457(6) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
O11A C16A 1.232(6) . ?
C16A N2A 1.304(6) . ?
C16A H16A 0.9300 . ?
N2A C18A 1.456(8) . ?
N2A C17A 1.445(9) . ?
C17A H17A 0.9600 . ?
C17A H17B 0.9600 . ?
C17A H17C 0.9600 . ?
C18A H18A 0.9600 . ?
C18A H18B 0.9600 . ?
C18A H18C 0.9600 . ?
O11B C16B 1.233(9) . ?
C16B N2B 1.307(8) . ?
C16B H16B 0.9300 . ?
N2B C18B 1.457(10) . ?
N2B C17B 1.450(10) . ?
C17B H17D 0.9600 . ?
C17B H17E 0.9600 . ?
C17B H17F 0.9600 . ?
C18B H18D 0.9600 . ?
C18B H18E 0.9600 . ?
C18B H18F 0.9600 . ?
O12A C19A 1.31(3) . ?
N3A C19A 1.226(13) . ?
N3A C20A 1.324(14) . ?
N3A C21A 1.67(3) . ?
C19A H19A 0.9300 . ?
C20A H20A 0.9600 . ?
C20A H20B 0.9600 . ?
C20A H20C 0.9600 . ?
C21A H21A 0.9600 . ?
C21A H21B 0.9600 . ?
C21A H21C 0.9600 . ?
O12B C19B 1.32(3) . ?
N3B C19B 1.230(14) . ?
N3B C20B 1.318(14) . ?
N3B C21B 1.67(3) . ?
C19B H19B 0.9300 . ?
C20B H20D 0.9600 . ?
C20B H20E 0.9600 . ?
C20B H20F 0.9600 . ?
C21B H21D 0.9600 . ?
C21B H21E 0.9600 . ?
C21B H21F 0.9600 . ?
