#------------------------------------------------------------------------------
#$Date: 2019-11-22 21:57:15 +0200 (Fri, 22 Nov 2019) $
#$Revision: 231385 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/65/4516580.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_4516580
loop_
_publ_author_name
'Zhang, Huijie'
'Fan, Ruiqing'
'Chen, Wei'
'Fan, Jizhuang'
'Dong, Yuwei'
'Song, Yang'
'Du, Xi'
'Wang, Ping'
'Yang, Yulin'
_publ_section_title
;
 3D Lanthanide Metal--Organic Frameworks Based on Mono-, Tri-, and
 Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive
 Luminescent Sensor for Fe3+ and Cu2+ Ions
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5429
_journal_paper_doi               10.1021/acs.cgd.6b00903
_journal_volume                  16
_journal_year                    2016
_chemical_formula_sum            'C32 H12 Eu2 K2 O29'
_chemical_formula_weight         1242.54
_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
_cell_angle_alpha                100.291(10)
_cell_angle_beta                 105.884(9)
_cell_angle_gamma                95.927(9)
_cell_formula_units_Z            2
_cell_length_a                   11.072(3)
_cell_length_b                   12.676(4)
_cell_length_c                   16.022(5)
_cell_measurement_reflns_used    7579
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.512
_cell_measurement_theta_min      3.128
_cell_volume                     2100.3(11)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1100
_diffrn_reflns_av_unetI/netI     0.1404
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17114
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.512
_diffrn_reflns_theta_min         3.128
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.258
_exptl_absorpt_correction_T_max  0.744
_exptl_absorpt_correction_T_min  0.590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.090
_refine_diff_density_max         2.485
_refine_diff_density_min         -2.200
_refine_diff_density_rms         0.272
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         7579
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.1165
_refine_ls_R_factor_gt           0.0686
_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)+(0.0959P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1645
_refine_ls_wR_factor_ref         0.1936
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4866
_reflns_number_total             7579
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cg6b00903_si_003.cif
_cod_data_source_block           z3
_cod_database_code               4516580
_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   0.592
_shelx_estimated_absorpt_t_max   0.758
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
Eu1 Eu 1.00183(5) -0.24126(5) 1.38251(4) 0.01817(19) Uani 1 1 d . .
Eu2 Eu 0.44208(5) 0.25877(5) 0.87204(4) 0.01788(19) Uani 1 1 d . .
K1 K 1.2316(3) 0.0090(3) 1.5578(2) 0.0450(9) Uani 1 1 d . .
K2 K 0.7177(3) 0.4780(3) 1.0551(2) 0.0430(9) Uani 1 1 d . .
O1 O 1.0889(8) 0.1205(7) 1.1003(6) 0.032(2) Uani 1 1 d . .
O2 O 0.9045(8) -0.0755(7) 1.3296(6) 0.028(2) Uani 1 1 d . .
O3 O 1.1123(9) -0.0633(7) 1.3762(6) 0.030(2) Uani 1 1 d . .
O4 O 1.0069(8) 0.2977(7) 1.4746(6) 0.030(2) Uani 1 1 d . .
O5 O 1.0119(9) 0.1233(7) 1.4795(6) 0.035(2) Uani 1 1 d . .
O6 O 0.6253(8) 0.1814(8) 0.8295(6) 0.037(2) Uani 1 1 d . .
O7 O 0.6531(9) 0.2438(9) 0.9715(6) 0.038(2) Uani 1 1 d . .
O8 O 1.2307(7) 0.2768(8) 0.8733(6) 0.031(2) Uani 1 1 d . .
O9 O 1.0550(8) 0.2835(8) 0.7701(6) 0.031(2) Uani 1 1 d . .
O10 O 1.6357(8) -0.3844(7) 1.6099(6) 0.030(2) Uani 1 1 d . .
O11 O 1.4038(8) -0.5624(7) 1.8285(6) 0.026(2) Uani 1 1 d . .
O12 O 1.6039(8) -0.5824(7) 1.8701(7) 0.031(2) Uani 1 1 d . .
O13 O 1.5361(8) -0.3764(7) 1.9827(6) 0.026(2) Uani 1 1 d . .
O14 O 1.5774(8) -0.2014(7) 1.9911(5) 0.026(2) Uani 1 1 d . .
O15 O 1.2208(8) -0.2232(8) 1.4877(6) 0.033(2) Uani 1 1 d . .
O16 O 1.2022(8) -0.2754(8) 1.3462(6) 0.038(2) Uani 1 1 d . .
O17 O 0.7856(8) -0.2880(8) 1.3644(6) 0.035(2) Uani 1 1 d . .
O18 O 0.6272(7) -0.2233(7) 1.2837(5) 0.0235(19) Uani 1 1 d . .
O19 O 0.9920(11) -0.4367(7) 1.3521(7) 0.052(3) Uani 1 1 d . .
O20 O 0.3338(12) 0.0698(8) 0.8198(7) 0.057(3) Uani 1 1 d . .
O21 O 1.444(4) -0.002(4) 1.496(4) 0.37(3) Uani 1 1 d . .
O22 O 0.9620(11) 0.4634(12) 1.0679(10) 0.082(5) Uani 1 1 d . .
O23 O 0.7746(12) 0.4356(10) 1.2431(11) 0.091(5) Uani 1 1 d . .
O24 O 1.4200(14) -0.0586(13) 1.6832(10) 0.090(5) Uani 1 1 d . .
OW1 O 0.8288(12) 0.4583(11) 0.7922(11) 0.093(5) Uani 1 1 d . .
OW2 O 1.3331(13) -0.0302(11) 1.3110(10) 0.082(5) Uani 1 1 d . .
OW3 O 0.330(3) 0.879(2) -0.121(2) 0.221(12) Uani 1 1 d . U
OW4 O 1.2776(14) 0.7419(14) 0.6784(11) 0.101(5) Uani 1 1 d . .
OW5 O 1.139(3) 0.519(3) 0.512(3) 0.30(2) Uani 1 1 d . .
C1 C 1.0606(11) 0.1411(11) 1.1795(8) 0.026(3) Uani 1 1 d . .
C2 C 1.0464(12) 0.0562(11) 1.2198(8) 0.027(3) Uani 1 1 d . .
H2A H 1.0466 -0.0142 1.1908 0.033 Uiso 1 1 calc R U
C3 C 1.0318(11) 0.0757(10) 1.3043(9) 0.026(3) Uani 1 1 d . .
C4 C 1.0284(11) 0.1775(10) 1.3471(8) 0.021(3) Uani 1 1 d . .
C5 C 1.0365(12) 0.2636(10) 1.3044(9) 0.027(3) Uani 1 1 d . .
H5A H 1.0293 0.3327 1.3322 0.032 Uiso 1 1 calc R U
C6 C 1.0553(12) 0.2475(10) 1.2194(9) 0.027(3) Uani 1 1 d . .
H6A H 1.0638 0.3049 1.1914 0.033 Uiso 1 1 calc R U
C7 C 1.0166(12) -0.0250(10) 1.3409(8) 0.023(3) Uani 1 1 d . .
C8 C 1.0133(11) 0.2017(11) 1.4384(8) 0.023(3) Uani 1 1 d . .
C9 C 1.0262(11) 0.1621(10) 1.0286(8) 0.022(3) Uani 1 1 d . U
C10 C 0.8973(11) 0.1668(9) 1.0081(8) 0.021(3) Uani 1 1 d . .
H10A H 0.8522 0.1498 1.0464 0.025 Uiso 1 1 calc R U
C11 C 0.8354(11) 0.1972(10) 0.9301(9) 0.025(3) Uani 1 1 d . .
C12 C 0.9047(11) 0.2274(10) 0.8744(9) 0.023(3) Uani 1 1 d . .
H12A H 0.8641 0.2471 0.8218 0.028 Uiso 1 1 calc R U
C13 C 1.0348(12) 0.2273(11) 0.8992(8) 0.027(3) Uani 1 1 d . .
C14 C 1.0958(12) 0.1941(10) 0.9773(8) 0.025(3) Uani 1 1 d . .
H14A H 1.1832 0.1941 0.9935 0.030 Uiso 1 1 calc R U
C15 C 0.6954(11) 0.2054(10) 0.9086(9) 0.024(3) Uani 1 1 d . .
C16 C 1.1127(11) 0.2639(9) 0.8429(8) 0.017(3) Uani 1 1 d . U
C17 C 1.6083(11) -0.3600(11) 1.6906(8) 0.024(3) Uani 1 1 d . .
C18 C 1.5745(11) -0.4464(10) 1.7246(8) 0.021(3) Uani 1 1 d . .
H18A H 1.5642 -0.5170 1.6921 0.025 Uiso 1 1 calc R U
C19 C 1.5558(11) -0.4276(10) 1.8079(9) 0.026(3) Uani 1 1 d . .
C20 C 1.5698(11) -0.3205(10) 1.8566(8) 0.023(3) Uani 1 1 d . .
C21 C 1.6037(12) -0.2355(10) 1.8197(9) 0.028(3) Uani 1 1 d . .
H21B H 1.6158 -0.1648 1.8523 0.033 Uiso 1 1 calc R U
C22 C 1.6205(12) -0.2516(11) 1.7357(8) 0.027(3) Uani 1 1 d . .
H22A H 1.6388 -0.1936 1.7105 0.033 Uiso 1 1 calc R U
C23 C 1.5243(13) -0.5276(10) 1.8397(10) 0.029(3) Uani 1 1 d . .
C24 C 1.5603(12) -0.2996(11) 1.9472(9) 0.028(3) Uani 1 1 d . .
C25 C 1.5799(11) -0.3391(10) 1.5409(8) 0.024(3) Uani 1 1 d . U
C26 C 1.4576(11) -0.3151(11) 1.5233(8) 0.025(3) Uani 1 1 d . .
H26A H 1.4119 -0.3227 1.5633 0.030 Uiso 1 1 calc R U
C27 C 1.4025(10) -0.2799(10) 1.4465(9) 0.022(3) Uani 1 1 d . .
C28 C 1.4723(12) -0.2637(10) 1.3888(8) 0.024(3) Uani 1 1 d . .
H28A H 1.4359 -0.2391 1.3378 0.029 Uiso 1 1 calc R U
C29 C 1.5963(10) -0.2840(9) 1.4072(7) 0.016(2) Uani 1 1 d . .
C30 C 1.6507(11) -0.3236(9) 1.4822(8) 0.020(3) Uani 1 1 d . .
H30A H 1.7330 -0.3397 1.4933 0.024 Uiso 1 1 calc R U
C31 C 1.2681(12) -0.2581(12) 1.4278(10) 0.032(3) Uani 1 1 d . .
C32 C 0.6756(10) -0.2620(9) 1.3475(8) 0.017(3) 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'
Eu Eu -0.1578 3.6682 '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'
K K 0.2009 0.2494 '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
O9 Eu1 O17 85.5(3) 2_757 .
O9 Eu1 O19 78.3(4) 2_757 .
O17 Eu1 O19 82.4(4) . .
O9 Eu1 O3 87.4(3) 2_757 .
O17 Eu1 O3 126.8(3) . .
O19 Eu1 O3 146.6(4) . .
O9 Eu1 O5 148.5(4) 2_757 2_758
O17 Eu1 O5 80.6(3) . 2_758
O19 Eu1 O5 127.0(3) . 2_758
O3 Eu1 O5 78.8(3) . 2_758
O9 Eu1 O16 75.0(3) 2_757 .
O17 Eu1 O16 151.9(3) . .
O19 Eu1 O16 74.1(4) . .
O3 Eu1 O16 73.0(3) . .
O5 Eu1 O16 126.0(3) 2_758 .
O9 Eu1 O15 126.7(3) 2_757 .
O17 Eu1 O15 144.2(3) . .
O19 Eu1 O15 89.0(4) . .
O3 Eu1 O15 75.6(3) . .
O5 Eu1 O15 77.1(3) 2_758 .
O16 Eu1 O15 51.9(3) . .
O9 Eu1 O4 148.4(3) 2_757 2_758
O17 Eu1 O4 75.3(3) . 2_758
O19 Eu1 O4 74.5(3) . 2_758
O3 Eu1 O4 124.3(3) . 2_758
O5 Eu1 O4 52.7(3) 2_758 2_758
O16 Eu1 O4 112.0(3) . 2_758
O15 Eu1 O4 69.0(3) . 2_758
O9 Eu1 O2 73.9(3) 2_757 .
O17 Eu1 O2 76.7(3) . .
O19 Eu1 O2 146.2(3) . .
O3 Eu1 O2 50.8(3) . .
O5 Eu1 O2 75.4(3) 2_758 .
O16 Eu1 O2 115.6(3) . .
O15 Eu1 O2 123.1(3) . .
O4 Eu1 O2 123.8(3) 2_758 .
O9 Eu1 C31 101.3(4) 2_757 .
O17 Eu1 C31 158.5(4) . .
O19 Eu1 C31 79.1(4) . .
O3 Eu1 C31 74.3(4) . .
O5 Eu1 C31 102.0(4) 2_758 .
O16 Eu1 C31 26.3(3) . .
O15 Eu1 C31 25.7(3) . .
O4 Eu1 C31 89.3(4) 2_758 .
O2 Eu1 C31 124.8(3) . .
O9 Eu1 C8 161.8(3) 2_757 2_758
O17 Eu1 C8 76.4(3) . 2_758
O19 Eu1 C8 100.6(4) . 2_758
O3 Eu1 C8 102.1(3) . 2_758
O5 Eu1 C8 26.5(3) 2_758 2_758
O16 Eu1 C8 122.6(3) . 2_758
O15 Eu1 C8 71.2(3) . 2_758
O4 Eu1 C8 26.1(3) 2_758 2_758
O2 Eu1 C8 99.9(3) . 2_758
C31 Eu1 C8 96.3(4) . 2_758
O9 Eu1 C7 78.2(3) 2_757 .
O17 Eu1 C7 102.6(3) . .
O19 Eu1 C7 155.5(4) . .
O3 Eu1 C7 24.9(3) . .
O5 Eu1 C7 77.4(3) 2_758 .
O16 Eu1 C7 93.1(3) . .
O15 Eu1 C7 99.6(3) . .
O4 Eu1 C7 130.0(3) 2_758 .
O2 Eu1 C7 26.0(3) . .
C31 Eu1 C7 98.8(4) . .
C8 Eu1 C7 103.9(4) 2_758 .
O18 Eu2 O8 89.4(3) 2_657 1_455
O18 Eu2 O20 72.7(3) 2_657 .
O8 Eu2 O20 78.1(4) 1_455 .
O18 Eu2 O13 150.5(3) 2_657 2_758
O8 Eu2 O13 74.5(3) 1_455 2_758
O20 Eu2 O13 125.7(3) . 2_758
O18 Eu2 O14 146.9(3) 2_657 2_758
O8 Eu2 O14 75.0(3) 1_455 2_758
O20 Eu2 O14 75.6(3) . 2_758
O13 Eu2 O14 52.5(3) 2_758 2_758
O18 Eu2 O7 128.3(3) 2_657 .
O8 Eu2 O7 141.5(3) 1_455 .
O20 Eu2 O7 103.4(4) . .
O13 Eu2 O7 74.0(3) 2_758 .
O14 Eu2 O7 68.5(3) 2_758 .
O18 Eu2 O11 73.1(3) 2_657 1_464
O8 Eu2 O11 74.3(3) 1_455 1_464
O20 Eu2 O11 135.7(4) . 1_464
O13 Eu2 O11 78.7(3) 2_758 1_464
O14 Eu2 O11 127.5(3) 2_758 1_464
O7 Eu2 O11 119.7(3) . 1_464
O18 Eu2 O6 76.9(3) 2_657 .
O8 Eu2 O6 159.9(3) 1_455 .
O20 Eu2 O6 83.8(4) . .
O13 Eu2 O6 124.0(3) 2_758 .
O14 Eu2 O6 108.9(3) 2_758 .
O7 Eu2 O6 51.7(3) . .
O11 Eu2 O6 114.5(3) 1_464 .
O18 Eu2 O12 88.6(3) 2_657 1_464
O8 Eu2 O12 123.0(3) 1_455 1_464
O20 Eu2 O12 152.2(3) . 1_464
O13 Eu2 O12 80.3(3) 2_758 1_464
O14 Eu2 O12 124.5(3) 2_758 1_464
O7 Eu2 O12 72.0(3) . 1_464
O11 Eu2 O12 50.9(3) 1_464 1_464
O6 Eu2 O12 71.8(3) . 1_464
O18 Eu2 C24 161.3(3) 2_657 2_758
O8 Eu2 C24 72.0(3) 1_455 2_758
O20 Eu2 C24 100.8(4) . 2_758
O13 Eu2 C24 25.9(3) 2_758 2_758
O14 Eu2 C24 26.6(3) 2_758 2_758
O7 Eu2 C24 69.9(3) . 2_758
O11 Eu2 C24 102.6(3) 1_464 2_758
O6 Eu2 C24 120.5(3) . 2_758
O12 Eu2 C24 103.0(3) 1_464 2_758
O18 Eu2 C15 102.4(3) 2_657 .
O8 Eu2 C15 164.2(3) 1_455 .
O20 Eu2 C15 95.2(4) . .
O13 Eu2 C15 98.8(3) 2_758 .
O14 Eu2 C15 89.5(3) 2_758 .
O7 Eu2 C15 26.0(3) . .
O11 Eu2 C15 119.0(3) 1_464 .
O6 Eu2 C15 25.8(3) . .
O12 Eu2 C15 68.5(3) 1_464 .
C24 Eu2 C15 95.6(4) 2_758 .
O18 Eu2 C23 79.1(3) 2_657 1_464
O8 Eu2 C23 100.0(4) 1_455 1_464
O20 Eu2 C23 151.7(4) . 1_464
O13 Eu2 C23 79.6(3) 2_758 1_464
O14 Eu2 C23 131.8(3) 2_758 1_464
O7 Eu2 C23 95.5(4) . 1_464
O11 Eu2 C23 26.4(3) 1_464 1_464
O6 Eu2 C23 91.8(3) . 1_464
O12 Eu2 C23 24.5(3) 1_464 1_464
C24 Eu2 C23 105.5(4) 2_758 1_464
C15 Eu2 C23 92.7(4) . 1_464
O2 K1 O3 120.7(3) 2_758 .
O2 K1 O24 95.9(4) 2_758 .
O3 K1 O24 134.7(4) . .
O2 K1 O21 157.5(10) 2_758 .
O3 K1 O21 79.7(12) . .
O24 K1 O21 71.8(15) . .
O2 K1 O5 65.4(3) 2_758 2_758
O3 K1 O5 67.8(3) . 2_758
O24 K1 O5 111.4(4) . 2_758
O21 K1 O5 136.3(8) . 2_758
O2 K1 O15 120.5(3) 2_758 .
O3 K1 O15 64.7(3) . .
O24 K1 O15 74.2(4) . .
O21 K1 O15 75.3(9) . .
O5 K1 O15 64.8(3) 2_758 .
O2 K1 O5 65.4(3) 2_758 .
O3 K1 O5 64.4(3) . .
O24 K1 O5 160.3(4) . .
O21 K1 O5 123.3(14) . .
O5 K1 O5 67.7(3) 2_758 .
O15 K1 O5 119.8(3) . .
O2 K1 C32 68.9(3) 2_758 2_758
O3 K1 C32 123.1(3) . 2_758
O24 K1 C32 93.2(4) . 2_758
O21 K1 C32 92.4(8) . 2_758
O5 K1 C32 129.6(3) 2_758 2_758
O15 K1 C32 164.5(3) . 2_758
O5 K1 C32 74.7(3) . 2_758
O2 K1 O18 64.7(2) 2_758 2_758
O3 K1 O18 144.5(3) . 2_758
O24 K1 O18 72.9(4) . 2_758
O21 K1 O18 93.2(8) . 2_758
O5 K1 O18 130.2(2) 2_758 2_758
O15 K1 O18 147.1(3) . 2_758
O5 K1 O18 92.4(2) . 2_758
C32 K1 O18 21.7(2) 2_758 2_758
O2 K1 Eu1 104.1(2) 2_758 .
O3 K1 Eu1 38.53(18) . .
O24 K1 Eu1 111.6(3) . .
O21 K1 Eu1 98.0(8) . .
O5 K1 Eu1 38.82(17) 2_758 .
O15 K1 Eu1 39.23(17) . .
O5 K1 Eu1 80.58(19) . .
C32 K1 Eu1 155.0(2) 2_758 .
O18 K1 Eu1 168.71(18) 2_758 .
O2 K1 Eu1 36.42(19) 2_758 2_758
O3 K1 Eu1 99.4(2) . 2_758
O24 K1 Eu1 125.3(3) . 2_758
O21 K1 Eu1 138.6(11) . 2_758
O5 K1 Eu1 77.2(2) 2_758 2_758
O15 K1 Eu1 141.93(19) . 2_758
O5 K1 Eu1 35.07(17) . 2_758
C32 K1 Eu1 53.1(2) 2_758 2_758
O18 K1 Eu1 63.57(16) 2_758 2_758
Eu1 K1 Eu1 106.61(8) . 2_758
O2 K1 K1 59.9(2) 2_758 2_758
O3 K1 K1 60.8(2) . 2_758
O24 K1 K1 142.8(4) . 2_758
O21 K1 K1 139.7(13) . 2_758
O5 K1 K1 35.0(2) 2_758 2_758
O15 K1 K1 93.40(19) . 2_758
O5 K1 K1 32.74(17) . 2_758
C32 K1 K1 102.1(2) 2_758 2_758
O18 K1 K1 113.78(19) 2_758 2_758
Eu1 K1 K1 56.17(6) . 2_758
Eu1 K1 K1 50.44(7) 2_758 2_758
O22 K2 O11 133.9(4) . 2_758
O22 K2 O12 101.4(4) . 1_464
O11 K2 O12 123.7(3) 2_758 1_464
O22 K2 O13 149.8(4) . 2_758
O11 K2 O13 65.7(3) 2_758 2_758
O12 K2 O13 70.3(3) 1_464 2_758
O22 K2 O7 88.2(4) . .
O11 K2 O7 119.3(3) 2_758 .
O12 K2 O7 62.0(3) 1_464 .
O13 K2 O7 62.1(3) 2_758 .
O22 K2 O13 134.9(4) . 1_464
O11 K2 O13 66.9(3) 2_758 1_464
O12 K2 O13 66.1(3) 1_464 1_464
O13 K2 O13 69.6(3) 2_758 1_464
O7 K2 O13 117.5(3) . 1_464
O22 K2 O8 94.3(3) . 2_767
O11 K2 O8 61.6(2) 2_758 2_767
O12 K2 O8 113.3(3) 1_464 2_767
O13 K2 O8 115.8(3) 2_758 2_767
O7 K2 O8 175.0(3) . 2_767
O13 K2 O8 57.9(2) 1_464 2_767
O22 K2 O23 87.0(4) . .
O11 K2 O23 57.8(3) 2_758 .
O12 K2 O23 152.8(3) 1_464 .
O13 K2 O23 89.5(3) 2_758 .
O7 K2 O23 92.8(3) . .
O13 K2 O23 124.6(3) 1_464 .
O8 K2 O23 91.6(3) 2_767 .
O22 K2 C16 74.1(4) . 2_767
O11 K2 C16 74.6(3) 2_758 2_767
O12 K2 C16 121.5(3) 1_464 2_767
O13 K2 C16 135.5(3) 2_758 2_767
O7 K2 C16 162.3(3) . 2_767
O13 K2 C16 77.1(3) 1_464 2_767
O8 K2 C16 20.8(2) 2_767 2_767
O23 K2 C16 85.7(3) . 2_767
O22 K2 C23 114.7(4) . 1_464
O11 K2 C23 107.7(3) 2_758 1_464
O12 K2 C23 18.5(3) 1_464 1_464
O13 K2 C23 65.6(3) 2_758 1_464
O7 K2 C23 76.7(3) . 1_464
O13 K2 C23 47.7(3) 1_464 1_464
O8 K2 C23 98.4(3) 2_767 1_464
O23 K2 C23 155.1(3) . 1_464
C16 K2 C23 111.1(3) 2_767 1_464
O22 K2 Eu2 119.4(3) . .
O11 K2 Eu2 102.84(19) 2_758 .
O12 K2 Eu2 39.45(18) 1_464 .
O13 K2 Eu2 37.45(18) 2_758 .
O7 K2 Eu2 38.25(19) . .
O13 K2 Eu2 79.37(17) 1_464 .
O8 K2 Eu2 137.28(19) 2_767 .
O23 K2 Eu2 114.1(3) . .
C16 K2 Eu2 155.4(2) 2_767 .
C23 K2 Eu2 45.5(2) 1_464 .
O22 K2 Eu2 129.6(3) . 2_667
O11 K2 Eu2 37.47(19) 2_758 2_667
O12 K2 Eu2 103.1(2) 1_464 2_667
O13 K2 Eu2 80.3(2) 2_758 2_667
O7 K2 Eu2 142.1(2) . 2_667
O13 K2 Eu2 37.03(17) 1_464 2_667
O8 K2 Eu2 35.51(15) 2_767 2_667
O23 K2 Eu2 90.6(3) . 2_667
C16 K2 Eu2 55.58(19) 2_767 2_667
C23 K2 Eu2 84.6(2) 1_464 2_667
Eu2 K2 Eu2 107.35(8) . 2_667
C1 O1 C9 121.2(9) . .
C7 O2 Eu1 90.4(7) . .
C7 O2 K1 120.6(8) . 2_758
Eu1 O2 K1 105.5(3) . 2_758
C7 O3 Eu1 98.1(8) . .
C7 O3 K1 119.0(8) . .
Eu1 O3 K1 97.2(3) . .
C8 O4 Eu1 91.9(8) . 2_758
C8 O5 Eu1 93.8(7) . 2_758
C8 O5 K1 115.8(8) . 2_758
Eu1 O5 K1 94.8(3) 2_758 2_758
C8 O5 K1 128.4(7) . .
Eu1 O5 K1 100.2(3) 2_758 .
K1 O5 K1 112.3(3) 2_758 .
C15 O6 Eu2 92.2(8) . .
C15 O7 Eu2 94.6(8) . .
C15 O7 K2 120.4(8) . .
Eu2 O7 K2 94.5(3) . .
C16 O8 Eu2 156.5(8) . 1_655
C16 O8 K2 99.0(7) . 2_767
Eu2 O8 K2 96.4(3) 1_655 2_767
C16 O9 Eu1 149.4(8) . 2_757
C25 O10 C17 120.6(9) . .
C23 O11 Eu2 94.7(8) . 1_646
C23 O11 K2 121.6(8) . 2_758
Eu2 O11 K2 101.7(3) 1_646 2_758
C23 O12 Eu2 95.4(8) . 1_646
C23 O12 K2 115.0(9) . 1_646
Eu2 O12 K2 96.3(3) 1_646 1_646
C24 O13 Eu2 94.8(8) . 2_758
C24 O13 K2 119.9(8) . 2_758
Eu2 O13 K2 98.4(3) 2_758 2_758
C24 O13 K2 126.3(8) . 1_646
Eu2 O13 K2 95.7(3) 2_758 1_646
K2 O13 K2 110.4(3) 2_758 1_646
C24 O14 Eu2 93.1(8) . 2_758
C31 O15 Eu1 94.0(8) . .
C31 O15 K1 123.2(9) . .
Eu1 O15 K1 93.0(3) . .
C31 O16 Eu1 93.4(7) . .
C32 O17 Eu1 148.7(9) . .
C32 O18 Eu2 143.4(8) . 2_657
C32 O18 K1 76.4(7) . 2_758
Eu2 O18 K1 135.2(3) 2_657 2_758
O21 O21 K1 155(7) 2_858 .
C2 C1 O1 117.9(11) . .
C2 C1 C6 121.9(12) . .
O1 C1 C6 120.1(12) . .
C1 C2 C3 119.6(12) . .
C1 C2 H2A 120.2 . .
C3 C2 H2A 120.2 . .
C4 C3 C2 121.2(12) . .
C4 C3 C7 124.6(12) . .
C2 C3 C7 114.2(11) . .
C3 C4 C5 119.3(11) . .
C3 C4 C8 122.7(11) . .
C5 C4 C8 117.9(11) . .
C4 C5 C6 121.0(11) . .
C4 C5 H5A 119.5 . .
C6 C5 H5A 119.5 . .
C1 C6 C5 116.9(12) . .
C1 C6 H6A 121.6 . .
C5 C6 H6A 121.6 . .
O3 C7 O2 120.2(12) . .
O3 C7 C3 120.0(11) . .
O2 C7 C3 119.6(11) . .
O3 C7 Eu1 57.0(7) . .
O2 C7 Eu1 63.6(7) . .
C3 C7 Eu1 168.9(9) . .
O4 C8 O5 121.6(12) . .
O4 C8 C4 120.4(11) . .
O5 C8 C4 117.9(11) . .
O4 C8 Eu1 62.0(7) . 2_758
O5 C8 Eu1 59.7(6) . 2_758
C4 C8 Eu1 176.3(9) . 2_758
C14 C9 C10 121.1(12) . .
C14 C9 O1 117.1(11) . .
C10 C9 O1 121.8(10) . .
C9 C10 C11 119.9(11) . .
C9 C10 H10A 120.1 . .
C11 C10 H10A 120.1 . .
C10 C11 C12 120.0(11) . .
C10 C11 C15 120.1(11) . .
C12 C11 C15 119.8(12) . .
C13 C12 C11 118.7(12) . .
C13 C12 H12A 120.7 . .
C11 C12 H12A 120.7 . .
C12 C13 C14 120.8(11) . .
C12 C13 C16 120.0(11) . .
C14 C13 C16 119.3(11) . .
C9 C14 C13 119.4(12) . .
C9 C14 H14A 120.3 . .
C13 C14 H14A 120.3 . .
O6 C15 O7 121.2(11) . .
O6 C15 C11 120.4(11) . .
O7 C15 C11 118.3(11) . .
O6 C15 Eu2 61.9(6) . .
O7 C15 Eu2 59.5(6) . .
C11 C15 Eu2 170.6(8) . .
O8 C16 O9 124.1(11) . .
O8 C16 C13 118.0(11) . .
O9 C16 C13 117.9(10) . .
O8 C16 K2 60.3(6) . 2_767
O9 C16 K2 98.4(7) . 2_767
C13 C16 K2 109.6(7) . 2_767
C18 C17 O10 116.6(11) . .
C18 C17 C22 122.4(11) . .
O10 C17 C22 121.0(11) . .
C17 C18 C19 119.4(11) . .
C17 C18 H18A 120.3 . .
C19 C18 H18A 120.3 . .
C18 C19 C20 120.3(12) . .
C18 C19 C23 114.8(11) . .
C20 C19 C23 124.9(12) . .
C21 C20 C19 118.3(12) . .
C21 C20 C24 120.6(11) . .
C19 C20 C24 120.9(12) . .
C20 C21 C22 122.7(11) . .
C20 C21 H21B 118.7 . .
C22 C21 H21B 118.7 . .
C21 C22 C17 116.8(11) . .
C21 C22 H22A 121.6 . .
C17 C22 H22A 121.6 . .
O12 C23 O11 118.7(12) . .
O12 C23 C19 123.4(12) . .
O11 C23 C19 117.7(12) . .
O12 C23 Eu2 60.0(7) . 1_646
O11 C23 Eu2 58.9(6) . 1_646
C19 C23 Eu2 170.8(10) . 1_646
O12 C23 K2 46.5(7) . 1_646
O11 C23 K2 112.4(8) . 1_646
C19 C23 K2 112.6(8) . 1_646
Eu2 C23 K2 76.2(3) 1_646 1_646
O13 C24 O14 119.4(12) . .
O13 C24 C20 120.9(12) . .
O14 C24 C20 119.7(12) . .
O13 C24 Eu2 59.2(7) . 2_758
O14 C24 Eu2 60.3(7) . 2_758
C20 C24 Eu2 176.5(9) . 2_758
O10 C25 C26 124.0(11) . .
O10 C25 C30 116.2(11) . .
C26 C25 C30 119.7(11) . .
C25 C26 C27 120.5(11) . .
C25 C26 H26A 119.7 . .
C27 C26 H26A 119.7 . .
C28 C27 C26 119.9(11) . .
C28 C27 C31 120.8(12) . .
C26 C27 C31 119.3(11) . .
C29 C28 C27 120.0(11) . .
C29 C28 H28A 120.0 . .
C27 C28 H28A 120.0 . .
C28 C29 C30 120.5(11) . .
C28 C29 C32 120.7(10) . 1_655
C30 C29 C32 118.8(10) . 1_655
C29 C30 C25 119.3(11) . .
C29 C30 H30A 120.4 . .
C25 C30 H30A 120.4 . .
O15 C31 O16 120.3(11) . .
O15 C31 C27 123.0(12) . .
O16 C31 C27 116.8(11) . .
O15 C31 Eu1 60.4(6) . .
O16 C31 Eu1 60.3(6) . .
C27 C31 Eu1 173.7(9) . .
O18 C32 O17 124.3(11) . .
O18 C32 C29 117.6(10) . 1_455
O17 C32 C29 118.1(10) . 1_455
O18 C32 K1 81.8(7) . 2_758
O17 C32 K1 95.8(7) . 2_758
C29 C32 K1 94.8(7) 1_455 2_758
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O9 2.298(9) 2_757
Eu1 O17 2.331(9) .
Eu1 O19 2.423(9) .
Eu1 O3 2.485(9) .
Eu1 O5 2.490(9) 2_758
Eu1 O16 2.503(9) .
Eu1 O15 2.507(9) .
Eu1 O4 2.541(9) 2_758
Eu1 O2 2.627(9) .
Eu1 C31 2.877(12) .
Eu1 C8 2.878(13) 2_758
Eu1 C7 2.934(13) .
Eu2 O18 2.345(8) 2_657
Eu2 O8 2.380(8) 1_455
Eu2 O20 2.452(9) .
Eu2 O13 2.465(8) 2_758
Eu2 O14 2.486(8) 2_758
Eu2 O7 2.490(10) .
Eu2 O11 2.530(9) 1_464
Eu2 O6 2.544(9) .
Eu2 O12 2.564(8) 1_464
Eu2 C24 2.858(14) 2_758
Eu2 C15 2.881(12) .
Eu2 C23 2.946(13) 1_464
K1 O2 2.728(9) 2_758
K1 O3 2.783(10) .
K1 O24 2.795(15) .
K1 O21 2.80(4) .
K1 O5 2.875(10) 2_758
K1 O15 2.934(10) .
K1 O5 3.049(11) .
K1 C32 3.221(12) 2_758
K1 O18 3.279(9) 2_758
K1 Eu1 4.264(4) 2_758
K1 K1 4.919(7) 2_758
K2 O22 2.683(13) .
K2 O11 2.718(9) 2_758
K2 O12 2.812(11) 1_464
K2 O13 2.822(8) 2_758
K2 O7 2.955(11) .
K2 O13 3.009(10) 1_464
K2 O8 3.051(10) 2_767
K2 O23 3.060(17) .
K2 C16 3.470(12) 2_767
K2 C23 3.513(15) 1_464
K2 Eu2 4.073(4) 2_667
O1 C1 1.376(14) .
O1 C9 1.391(15) .
O2 C7 1.286(14) .
O2 K1 2.728(9) 2_758
O3 C7 1.246(15) .
O4 C8 1.268(15) .
O4 Eu1 2.541(9) 2_758
O5 C8 1.289(15) .
O5 Eu1 2.490(8) 2_758
O5 K1 2.875(10) 2_758
O6 C15 1.256(15) .
O7 C15 1.265(15) .
O8 C16 1.245(13) .
O8 Eu2 2.380(8) 1_655
O8 K2 3.051(10) 2_767
O9 C16 1.248(15) .
O9 Eu1 2.298(9) 2_757
O10 C25 1.364(15) .
O10 C17 1.398(14) .
O11 C23 1.314(15) .
O11 Eu2 2.530(9) 1_646
O11 K2 2.718(9) 2_758
O12 C23 1.228(16) .
O12 Eu2 2.564(8) 1_646
O12 K2 2.812(11) 1_646
O13 C24 1.254(15) .
O13 Eu2 2.464(8) 2_758
O13 K2 2.822(8) 2_758
O13 K2 3.009(10) 1_646
O14 C24 1.283(15) .
O14 Eu2 2.486(8) 2_758
O15 C31 1.249(15) .
O16 C31 1.277(16) .
O17 C32 1.264(14) .
O18 C32 1.227(14) .
O18 Eu2 2.345(8) 2_657
O18 K1 3.279(9) 2_758
O21 O21 1.20(8) 2_858
C1 C2 1.366(18) .
C1 C6 1.400(17) .
C2 C3 1.389(17) .
C2 H2A 0.9300 .
C3 C4 1.358(17) .
C3 C7 1.510(17) .
C4 C5 1.396(17) .
C4 C8 1.499(16) .
C5 C6 1.416(18) .
C5 H5A 0.9300 .
C6 H6A 0.9300 .
C8 Eu1 2.878(13) 2_758
C9 C14 1.355(17) .
C9 C10 1.385(16) .
C10 C11 1.392(18) .
C10 H10A 0.9300 .
C11 C12 1.404(16) .
C11 C15 1.512(16) .
C12 C13 1.385(16) .
C12 H12A 0.9300 .
C13 C14 1.409(19) .
C13 C16 1.505(16) .
C14 H14A 0.9300 .
C16 K2 3.470(11) 2_767
C17 C18 1.369(17) .
C17 C22 1.408(18) .
C18 C19 1.389(17) .
C18 H18A 0.9300 .
C19 C20 1.410(18) .
C19 C23 1.492(18) .
C20 C21 1.385(18) .
C20 C24 1.462(17) .
C21 C22 1.390(17) .
C21 H21B 0.9300 .
C22 H22A 0.9300 .
C23 Eu2 2.946(13) 1_646
C23 K2 3.513(15) 1_646
C24 Eu2 2.858(14) 2_758
C25 C26 1.383(17) .
C25 C30 1.405(16) .
C26 C27 1.389(18) .
C26 H26A 0.9300 .
C27 C28 1.385(17) .
C27 C31 1.501(16) .
C28 C29 1.385(16) .
C28 H28A 0.9300 .
C29 C30 1.393(17) .
C29 C32 1.506(16) 1_655
C30 H30A 0.9300 .
C32 C29 1.506(16) 1_455
C32 K1 3.221(12) 2_758
