#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:15:17 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180471 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/40/7214039.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_7214039
loop_
_publ_author_name
'Han, Bao-Xia'
'Wang, Chuan-Zeng'
'Chen, Kai'
'Xiao, Xin'
'Tao, Zhu'
'Xue, Sai-Feng'
'Zhang, Yun-Qian'
'Zhu, Qian-Jiang'
_publ_section_title
;
 Coordination and supramolecular assemblies of K+/Ln3+ to
 perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−:
 potential application in isolation of light lanthanides
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              1615
_journal_paper_doi               10.1039/c3ce42063a
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety
'C30 H34 Cl Eu K N20 O23, P Mo12 O40, 11(H2 O)'
_chemical_formula_sum            'C30 H58 Cl Eu K Mo12 N20 O74 P'
_chemical_formula_weight         3291.72
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.524(4)
_cell_length_b                   15.876(3)
_cell_length_c                   23.193(4)
_cell_measurement_temperature    223(2)
_cell_volume                     8294(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart Apex2 CCD Detector'
_diffrn_measurement_method       'φ and ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            53288
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    2.735
_exptl_absorpt_correction_T_max  0.5973
_exptl_absorpt_correction_T_min  0.5043
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6352
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_platon_squeeze_details
;
;
_refine_diff_density_max         1.679
_refine_diff_density_min         -1.464
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     624
_refine_ls_number_reflns         7644
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0628
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0776P)²+40.2991P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1618
_refine_ls_wR_factor_ref         0.1773
_reflns_number_gt                5120
_reflns_number_total             7644
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42063a.txt
_cod_data_source_block           p6
_cod_original_cell_volume        8293(3)
_cod_database_code               7214039
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
O4W O 0.5130(5) 0.2500 0.8516(5) 0.094(3) Uani 1 2 d S
O5W O -0.1954(13) 0.7500 0.8420(12) 0.66(7) Uani 1 2 d S
O1W O 0.1100(4) 0.2500 0.5742(5) 0.082(4) Uani 1 2 d S
O2W O 0.1279(5) 0.2500 0.6866(5) 0.094(3) Uani 1 2 d S
O3W O 0.6206(11) 0.2500 0.5331(11) 0.218(11) Uani 1 2 d S
Eu1 Eu 0.20647(3) 0.2500 0.61802(3) 0.0518(2) Uani 1 2 d S
Cl1 Cl 0.32702(18) 0.2500 0.59809(19) 0.0729(11) Uani 1 2 d S
K1 K 0.5039(3) 0.2500 0.5609(2) 0.1138(16) Uani 1 2 d S
O12 O 0.0845(4) 0.7500 0.5734(4) 0.052(2) Uani 1 2 d S
O13 O 0.0720(3) 0.6704(3) 0.6659(3) 0.0492(16) Uani 1 1 d .
O14 O -0.0145(4) 0.7500 0.6252(5) 0.065(3) Uani 1 2 d S
O15 O -0.1126(4) 0.8330(5) 0.6442(4) 0.093(3) Uani 1 1 d .
O16 O 0.1359(3) 0.5348(4) 0.6636(3) 0.066(2) Uani 1 1 d .
O17 O 0.0322(4) 0.5343(4) 0.7146(4) 0.075(2) Uani 1 1 d .
O18 O 0.0508(4) 0.7500 0.7777(4) 0.056(2) Uani 1 2 d S
O19 O 0.2369(3) 0.5951(5) 0.7186(4) 0.079(2) Uani 1 1 d .
O20 O 0.1232(3) 0.6169(4) 0.7610(3) 0.0565(18) Uani 1 1 d .
O21 O 0.1770(4) 0.7500 0.7137(4) 0.054(2) Uani 1 2 d S
O22 O -0.0991(5) 0.7500 0.5470(6) 0.089(4) Uani 1 2 d S
O23 O 0.1905(3) 0.6688(4) 0.6179(3) 0.065(2) Uani 1 1 d .
O24 O 0.0211(4) 0.5947(5) 0.8284(4) 0.080(2) Uani 1 1 d .
O25 O 0.0734(5) 0.5809(5) 0.4418(4) 0.112(4) Uani 1 1 d .
O26 O 0.0816(4) 0.5665(4) 0.5626(3) 0.076(2) Uani 1 1 d .
O27 O 0.2625(6) 0.7500 0.5345(5) 0.093(4) Uani 1 2 d S
O28 O 0.1577(4) 0.6659(5) 0.5071(3) 0.083(3) Uani 1 1 d .
O29 O 0.0688(7) 0.7500 0.4616(5) 0.098(5) Uani 1 2 d S
O30 O -0.0203(4) 0.5682(4) 0.6147(4) 0.083(3) Uani 1 1 d .
O31 O -0.0380(3) 0.8320(4) 0.7340(4) 0.070(2) Uani 1 1 d .
O32 O -0.0078(4) 0.6468(4) 0.5191(4) 0.082(3) Uani 1 1 d .
O33 O -0.1203(5) 0.9209(6) 0.5429(6) 0.132(4) Uani 1 1 d .
O34 O 0.0480(5) 0.4222(5) 0.6258(4) 0.110(4) Uani 1 1 d .
O35 O -0.1480(5) 0.7500 0.7435(8) 0.114(5) Uani 1 2 d S
Mo1 Mo 0.03831(5) 0.63320(6) 0.76241(5) 0.0622(3) Uani 1 1 d .
Mo2 Mo 0.17218(5) 0.63397(6) 0.69478(5) 0.0648(3) Uani 1 1 d .
Mo3 Mo 0.19131(8) 0.7500 0.55718(6) 0.0749(5) Uani 1 2 d S
Mo4 Mo 0.05587(6) 0.52615(5) 0.63569(5) 0.0782(4) Uani 1 1 d .
Mo5 Mo 0.07436(7) 0.64269(6) 0.49896(5) 0.0905(5) Uani 1 1 d .
Mo6 Mo -0.07054(6) 0.85791(6) 0.57351(7) 0.1005(5) Uani 1 1 d .
Mo7 Mo -0.08861(7) 0.7500 0.69950(9) 0.0876(6) Uani 1 2 d S
P1 P 0.05394(17) 0.7500 0.63244(16) 0.0478(10) Uani 1 2 d S
C1 C 0.2932(7) 0.2500 0.7404(6) 0.054(4) Uani 1 2 d S
C2 C 0.3846(4) 0.2992(7) 0.7723(4) 0.058(3) Uani 1 1 d .
C3 C 0.4568(6) 0.2500 0.7078(7) 0.053(4) Uani 1 2 d S
C4 C 0.3015(5) 0.4034(8) 0.7460(5) 0.063(3) Uani 1 1 d .
H4A H 0.2583 0.4022 0.7512 0.076 Uiso 1 1 calc R
H4B H 0.3181 0.4403 0.7758 0.076 Uiso 1 1 calc R
C5 C 0.4514(5) 0.4064(7) 0.7190(5) 0.069(3) Uani 1 1 d .
H5A H 0.4462 0.4405 0.7538 0.083 Uiso 1 1 calc R
H5B H 0.4940 0.4042 0.7103 0.083 Uiso 1 1 calc R
C6 C 0.2737(6) 0.4363(8) 0.6466(5) 0.067(3) Uani 1 1 d .
C7 C 0.3650(5) 0.4936(7) 0.6770(6) 0.068(3) Uani 1 1 d .
C8 C 0.3520(5) 0.5254(7) 0.6165(6) 0.069(3) Uani 1 1 d .
C9 C 0.4400(5) 0.4483(7) 0.6158(6) 0.061(3) Uani 1 1 d .
C10 C 0.2626(5) 0.5006(8) 0.5500(5) 0.075(4) Uani 1 1 d .
H10A H 0.2710 0.5570 0.5348 0.090 Uiso 1 1 calc R
H10B H 0.2200 0.4971 0.5579 0.090 Uiso 1 1 calc R
C11 C 0.4123(5) 0.5052(8) 0.5216(6) 0.081(4) Uani 1 1 d .
H11A H 0.4552 0.5039 0.5147 0.097 Uiso 1 1 calc R
H11B H 0.3980 0.5617 0.5118 0.097 Uiso 1 1 calc R
C12 C 0.2498(5) 0.3651(8) 0.4997(5) 0.064(3) Uani 1 1 d .
C13 C 0.3234(5) 0.4492(8) 0.4624(6) 0.072(3) Uani 1 1 d .
C14 C 0.3178(5) 0.3694(9) 0.4244(5) 0.077(4) Uani 1 1 d .
C15 C 0.4113(5) 0.3730(8) 0.4649(5) 0.066(3) Uani 1 1 d .
C16 C 0.2428(8) 0.2500 0.4291(6) 0.081(6) Uani 1 2 d S
H16A H 0.2463 0.2500 0.3870 0.097 Uiso 1 2 calc SR
H16B H 0.2004 0.2500 0.4384 0.097 Uiso 1 2 calc SR
C17 C 0.3900(7) 0.2500 0.4017(8) 0.079(5) Uani 1 2 d S
H17A H 0.4329 0.2500 0.3951 0.095 Uiso 1 2 calc SR
H17B H 0.3703 0.2500 0.3640 0.095 Uiso 1 2 calc SR
N1 N 0.3244(4) 0.3201(6) 0.7539(4) 0.057(2) Uani 1 1 d .
N2 N 0.3145(4) 0.4385(6) 0.6906(4) 0.064(2) Uani 1 1 d .
N3 N 0.4297(3) 0.3199(5) 0.7303(3) 0.052(2) Uani 1 1 d .
N4 N 0.4201(4) 0.4469(6) 0.6707(5) 0.067(3) Uani 1 1 d .
N5 N 0.2948(4) 0.4889(6) 0.6028(5) 0.068(3) Uani 1 1 d .
N6 N 0.2782(4) 0.4386(7) 0.5072(4) 0.072(3) Uani 1 1 d .
N7 N 0.4014(4) 0.4900(6) 0.5827(5) 0.070(3) Uani 1 1 d .
N8 N 0.3834(4) 0.4437(6) 0.4834(4) 0.067(3) Uani 1 1 d .
N9 N 0.2678(4) 0.3258(7) 0.4502(4) 0.066(2) Uani 1 1 d .
N10 N 0.3738(4) 0.3262(7) 0.4325(4) 0.071(3) Uani 1 1 d .
O1 O 0.2414(4) 0.2500 0.7196(4) 0.058(3) Uani 1 2 d S
O2 O 0.2290(3) 0.3953(5) 0.6453(3) 0.0598(18) Uani 1 1 d .
O3 O 0.2096(3) 0.3390(5) 0.5319(3) 0.064(2) Uani 1 1 d .
O4 O 0.4991(4) 0.2500 0.6740(5) 0.062(3) Uani 1 2 d S
O5 O 0.4865(3) 0.4180(5) 0.5993(3) 0.069(2) Uani 1 1 d .
O6 O 0.4636(3) 0.3531(5) 0.4762(4) 0.078(2) Uani 1 1 d .
O7 O 0.3976(3) 0.3380(6) 0.8241(3) 0.083(3) Uani 1 1 d .
H7 H 0.4301 0.3209 0.8361 0.125 Uiso 1 1 calc R
O8 O 0.3706(4) 0.5540(5) 0.7199(5) 0.103(3) Uani 1 1 d .
H8 H 0.3389 0.5802 0.7231 0.154 Uiso 1 1 calc R
O9 O 0.3470(5) 0.6109(5) 0.6077(5) 0.116(4) Uani 1 1 d .
H9 H 0.3793 0.6339 0.6147 0.174 Uiso 1 1 calc R
O10 O 0.3127(4) 0.5258(6) 0.4364(4) 0.102(3) Uani 1 1 d .
H10 H 0.3355 0.5319 0.4086 0.153 Uiso 1 1 calc R
O11 O 0.3083(4) 0.3860(7) 0.3668(4) 0.101(3) Uani 1 1 d .
H11 H 0.2858 0.3497 0.3532 0.151 Uiso 1 1 calc R
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'
Mo Mo -1.6832 0.6857 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O2W Eu1 O1W 67.1(4) . .
O2W Eu1 O2 88.93(19) . .
O1W Eu1 O2 107.29(17) . .
O2W Eu1 O2 88.93(19) . 8_565
O1W Eu1 O2 107.29(17) . 8_565
O2 Eu1 O2 141.3(3) . 8_565
O2W Eu1 O3 124.6(3) . 8_565
O1W Eu1 O3 71.3(3) . 8_565
O2 Eu1 O3 138.6(3) . 8_565
O2 Eu1 O3 70.1(3) 8_565 8_565
O2W Eu1 O3 124.6(3) . .
O1W Eu1 O3 71.3(3) . .
O2 Eu1 O3 70.1(3) . .
O2 Eu1 O3 138.6(3) 8_565 .
O3 Eu1 O3 70.5(4) 8_565 .
O2W Eu1 O1 66.5(3) . .
O1W Eu1 O1 133.6(3) . .
O2 Eu1 O1 71.90(18) . .
O2 Eu1 O1 71.90(18) 8_565 .
O3 Eu1 O1 139.9(2) 8_565 .
O3 Eu1 O1 139.9(2) . .
O2W Eu1 Cl1 147.7(3) . .
O1W Eu1 Cl1 145.3(3) . .
O2 Eu1 Cl1 80.74(17) . .
O2 Eu1 Cl1 80.74(17) 8_565 .
O3 Eu1 Cl1 80.49(17) 8_565 .
O3 Eu1 Cl1 80.49(17) . .
O1 Eu1 Cl1 81.2(2) . .
O4 K1 O3W 106.1(6) . .
O4 K1 O6 135.2(3) . 8_565
O3W K1 O6 98.7(5) . 8_565
O4 K1 O6 135.2(3) . .
O3W K1 O6 98.7(5) . .
O6 K1 O6 74.2(4) 8_565 .
O4 K1 O5 71.4(2) . .
O3W K1 O5 102.0(2) . .
O6 K1 O5 138.4(3) 8_565 .
O6 K1 O5 67.3(3) . .
O4 K1 O5 71.4(2) . 8_565
O3W K1 O5 102.0(2) . 8_565
O6 K1 O5 67.3(3) 8_565 8_565
O6 K1 O5 138.4(3) . 8_565
O5 K1 O5 140.0(4) . 8_565
P1 O12 Mo3 125.6(5) . .
P1 O12 Mo5 126.2(3) . .
Mo3 O12 Mo5 89.0(3) . .
P1 O12 Mo5 126.2(3) . 8_575
Mo3 O12 Mo5 89.0(3) . 8_575
Mo5 O12 Mo5 88.7(3) . 8_575
P1 O13 Mo4 126.3(3) . .
P1 O13 Mo2 125.6(4) . .
Mo4 O13 Mo2 89.65(19) . .
P1 O13 Mo1 125.5(4) . .
Mo4 O13 Mo1 89.4(2) . .
Mo2 O13 Mo1 88.74(19) . .
P1 O14 Mo7 127.9(6) . .
P1 O14 Mo6 124.5(4) . 8_575
Mo7 O14 Mo6 89.6(3) . 8_575
P1 O14 Mo6 124.5(4) . .
Mo7 O14 Mo6 89.6(3) . .
Mo6 O14 Mo6 89.1(3) 8_575 .
Mo7 O15 Mo6 124.7(5) . .
Mo2 O16 Mo4 125.9(3) . .
Mo4 O17 Mo1 126.0(4) . .
Mo1 O18 Mo1 152.6(5) . 8_575
Mo2 O20 Mo1 124.6(3) . .
Mo2 O21 Mo2 152.4(6) 8_575 .
Mo6 O22 Mo6 125.1(5) . 8_575
Mo3 O23 Mo2 152.3(4) . .
Mo4 O26 Mo5 150.9(5) . .
Mo5 O28 Mo3 125.2(4) . .
Mo5 O29 Mo5 125.6(6) . 8_575
Mo6 O30 Mo4 152.4(5) 8_575 .
Mo7 O31 Mo1 151.1(4) . 8_575
Mo6 O32 Mo5 152.1(5) 8_575 .
O24 Mo1 O18 102.5(4) . .
O24 Mo1 O31 102.1(4) . 8_575
O18 Mo1 O31 85.2(3) . 8_575
O24 Mo1 O17 102.1(4) . .
O18 Mo1 O17 155.4(4) . .
O31 Mo1 O17 88.5(3) 8_575 .
O24 Mo1 O20 101.2(3) . .
O18 Mo1 O20 89.3(3) . .
O31 Mo1 O20 156.7(3) 8_575 .
O17 Mo1 O20 87.2(3) . .
O24 Mo1 O13 171.7(3) . .
O18 Mo1 O13 83.7(3) . .
O31 Mo1 O13 83.9(3) 8_575 .
O17 Mo1 O13 72.0(3) . .
O20 Mo1 O13 73.0(2) . .
O19 Mo2 O21 103.4(4) . .
O19 Mo2 O20 100.7(4) . .
O21 Mo2 O20 89.2(3) . .
O19 Mo2 O23 103.1(4) . .
O21 Mo2 O23 85.5(3) . .
O20 Mo2 O23 156.2(3) . .
O19 Mo2 O16 101.1(4) . .
O21 Mo2 O16 155.5(3) . .
O20 Mo2 O16 86.5(3) . .
O23 Mo2 O16 88.7(3) . .
O19 Mo2 O13 171.3(3) . .
O21 Mo2 O13 83.4(3) . .
O20 Mo2 O13 73.6(2) . .
O23 Mo2 O13 82.7(3) . .
O16 Mo2 O13 72.2(2) . .
O27 Mo3 O23 103.8(4) . 8_575
O27 Mo3 O23 103.8(4) . .
O23 Mo3 O23 84.9(4) 8_575 .
O27 Mo3 O28 100.7(4) . .
O23 Mo3 O28 155.4(4) 8_575 .
O23 Mo3 O28 88.5(3) . .
O27 Mo3 O28 100.7(4) . 8_575
O23 Mo3 O28 88.5(3) 8_575 8_575
O23 Mo3 O28 155.4(4) . 8_575
O28 Mo3 O28 87.8(5) . 8_575
O27 Mo3 O12 170.8(5) . .
O23 Mo3 O12 82.9(3) 8_575 .
O23 Mo3 O12 82.9(3) . .
O28 Mo3 O12 72.8(3) . .
O28 Mo3 O12 72.8(3) 8_575 .
O34 Mo4 O26 104.0(4) . .
O34 Mo4 O30 102.4(4) . .
O26 Mo4 O30 85.9(4) . .
O34 Mo4 O17 99.7(4) . .
O26 Mo4 O17 156.3(3) . .
O30 Mo4 O17 88.3(4) . .
O34 Mo4 O16 102.5(4) . .
O26 Mo4 O16 89.4(3) . .
O30 Mo4 O16 155.1(3) . .
O17 Mo4 O16 86.2(3) . .
O34 Mo4 O13 170.7(4) . .
O26 Mo4 O13 83.9(3) . .
O30 Mo4 O13 83.0(2) . .
O17 Mo4 O13 72.6(2) . .
O16 Mo4 O13 72.2(2) . .
O25 Mo5 O32 101.8(5) . .
O25 Mo5 O29 99.5(4) . .
O32 Mo5 O29 90.9(5) . .
O25 Mo5 O26 104.2(4) . .
O32 Mo5 O26 85.1(4) . .
O29 Mo5 O26 156.3(4) . .
O25 Mo5 O28 101.9(5) . .
O32 Mo5 O28 156.3(3) . .
O29 Mo5 O28 86.4(5) . .
O26 Mo5 O28 87.9(4) . .
O25 Mo5 O12 170.7(4) . .
O32 Mo5 O12 83.9(3) . .
O29 Mo5 O12 72.8(3) . .
O26 Mo5 O12 83.5(2) . .
O28 Mo5 O12 72.8(3) . .
O33 Mo6 O30 104.2(4) . 8_575
O33 Mo6 O32 104.0(5) . 8_575
O30 Mo6 O32 85.1(4) 8_575 8_575
O33 Mo6 O22 100.0(4) . .
O30 Mo6 O22 155.7(3) 8_575 .
O32 Mo6 O22 90.1(5) 8_575 .
O33 Mo6 O15 99.0(5) . .
O30 Mo6 O15 89.5(4) 8_575 .
O32 Mo6 O15 157.1(3) 8_575 .
O22 Mo6 O15 85.7(5) . .
O33 Mo6 O14 168.7(5) . .
O30 Mo6 O14 83.0(3) 8_575 .
O32 Mo6 O14 85.0(4) 8_575 .
O22 Mo6 O14 72.9(3) . .
O15 Mo6 O14 72.1(4) . .
O35 Mo7 O31 102.8(5) . .
O35 Mo7 O31 102.8(5) . 8_575
O31 Mo7 O31 86.1(4) . 8_575
O35 Mo7 O15 100.5(5) . 8_575
O31 Mo7 O15 156.7(4) . 8_575
O31 Mo7 O15 88.8(3) 8_575 8_575
O35 Mo7 O15 100.5(5) . .
O31 Mo7 O15 88.8(3) . .
O31 Mo7 O15 156.7(4) 8_575 .
O15 Mo7 O15 86.9(5) 8_575 .
O35 Mo7 O14 171.4(6) . .
O31 Mo7 O14 83.4(3) . .
O31 Mo7 O14 83.4(3) 8_575 .
O15 Mo7 O14 73.5(3) 8_575 .
O15 Mo7 O14 73.5(3) . .
O12 P1 O13 109.4(4) . 8_575
O12 P1 O13 109.4(4) . .
O13 P1 O13 110.5(5) 8_575 .
O12 P1 O14 110.5(6) . .
O13 P1 O14 108.5(4) 8_575 .
O13 P1 O14 108.5(4) . .
O1 C1 N1 124.6(7) . .
O1 C1 N1 124.6(7) . 8_565
N1 C1 N1 110.7(13) . 8_565
O7 C2 N3 109.6(8) . .
O7 C2 N1 110.5(8) . .
N3 C2 N1 113.9(8) . .
O7 C2 C2 116.5(6) . 8_565
N3 C2 C2 103.1(6) . 8_565
N1 C2 C2 103.1(6) . 8_565
O4 C3 N3 125.9(6) . .
O4 C3 N3 125.9(6) . 8_565
N3 C3 N3 108.1(13) . 8_565
N2 C4 N1 113.7(9) . .
N2 C4 H4A 108.8 . .
N1 C4 H4A 108.8 . .
N2 C4 H4B 108.8 . .
N1 C4 H4B 108.8 . .
H4A C4 H4B 107.7 . .
N4 C5 N3 112.4(8) . .
N4 C5 H5A 109.1 . .
N3 C5 H5A 109.1 . .
N4 C5 H5B 109.1 . .
N3 C5 H5B 109.1 . .
H5A C5 H5B 107.9 . .
O2 C6 N2 126.5(12) . .
O2 C6 N5 126.2(12) . .
N2 C6 N5 107.3(11) . .
O8 C7 N4 110.4(9) . .
O8 C7 N2 109.0(9) . .
N4 C7 N2 112.3(10) . .
O8 C7 C8 116.7(10) . .
N4 C7 C8 104.0(9) . .
N2 C7 C8 104.3(9) . .
O9 C8 N5 106.9(10) . .
O9 C8 N7 111.1(10) . .
N5 C8 N7 113.7(10) . .
O9 C8 C7 118.7(11) . .
N5 C8 C7 104.0(9) . .
N7 C8 C7 102.6(9) . .
O5 C9 N7 125.3(12) . .
O5 C9 N4 125.3(11) . .
N7 C9 N4 109.4(10) . .
N5 C10 N6 112.1(9) . .
N5 C10 H10A 109.2 . .
N6 C10 H10A 109.2 . .
N5 C10 H10B 109.2 . .
N6 C10 H10B 109.2 . .
H10A C10 H10B 107.9 . .
N7 C11 N8 113.6(9) . .
N7 C11 H11A 108.8 . .
N8 C11 H11A 108.8 . .
N7 C11 H11B 108.8 . .
N8 C11 H11B 108.8 . .
H11A C11 H11B 107.7 . .
O3 C12 N6 124.0(12) . .
O3 C12 N9 124.5(12) . .
N6 C12 N9 111.3(10) . .
O10 C13 N8 111.5(10) . .
O10 C13 N6 106.8(9) . .
N8 C13 N6 113.9(10) . .
O10 C13 C14 117.3(11) . .
N8 C13 C14 102.7(10) . .
N6 C13 C14 104.7(10) . .
O11 C14 N10 110.7(10) . .
O11 C14 N9 111.7(11) . .
N10 C14 N9 113.3(10) . .
O11 C14 C13 114.1(11) . .
N10 C14 C13 104.1(10) . .
N9 C14 C13 102.6(9) . .
O6 C15 N10 124.5(12) . .
O6 C15 N8 125.6(13) . .
N10 C15 N8 109.9(11) . .
N9 C16 N9 116.4(14) . 8_565
N9 C16 H16A 108.2 . .
N9 C16 H16A 108.2 8_565 .
N9 C16 H16B 108.2 . .
N9 C16 H16B 108.2 8_565 .
H16A C16 H16B 107.3 . .
N10 C17 N10 112.9(13) . 8_565
N10 C17 H17A 109.0 . .
N10 C17 H17A 109.0 8_565 .
N10 C17 H17B 109.0 . .
N10 C17 H17B 109.0 8_565 .
H17A C17 H17B 107.8 . .
C1 N1 C4 122.9(9) . .
C1 N1 C2 111.3(10) . .
C4 N1 C2 125.6(9) . .
C6 N2 C4 121.4(10) . .
C6 N2 C7 111.9(10) . .
C4 N2 C7 125.7(10) . .
C3 N3 C2 112.7(9) . .
C3 N3 C5 122.4(9) . .
C2 N3 C5 124.2(8) . .
C9 N4 C7 111.7(10) . .
C9 N4 C5 124.4(9) . .
C7 N4 C5 123.8(10) . .
C6 N5 C10 121.7(10) . .
C6 N5 C8 112.5(10) . .
C10 N5 C8 125.8(10) . .
C12 N6 C10 124.5(10) . .
C12 N6 C13 109.8(11) . .
C10 N6 C13 125.4(11) . .
C9 N7 C11 122.0(10) . .
C9 N7 C8 112.1(10) . .
C11 N7 C8 125.5(10) . .
C15 N8 C13 112.3(11) . .
C15 N8 C11 122.3(10) . .
C13 N8 C11 125.4(10) . .
C12 N9 C16 124.0(11) . .
C12 N9 C14 111.0(11) . .
C16 N9 C14 124.9(11) . .
C15 N10 C14 110.8(11) . .
C15 N10 C17 125.0(11) . .
C14 N10 C17 123.4(12) . .
C1 O1 Eu1 131.0(9) . .
C6 O2 Eu1 133.9(7) . .
C12 O3 Eu1 134.6(6) . .
C3 O4 K1 131.8(9) . .
C9 O5 K1 126.2(7) . .
C15 O6 K1 128.3(7) . .
C2 O7 H7 109.5 . .
C7 O8 H8 109.5 . .
C8 O9 H9 109.5 . .
C13 O10 H10 109.5 . .
C14 O11 H11 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1W Eu1 2.398(10) .
O2W Eu1 2.380(12) .
O3W K1 2.71(3) .
Eu1 O2 2.445(8) .
Eu1 O2 2.445(8) 8_565
Eu1 O3 2.447(7) 8_565
Eu1 O3 2.447(7) .
Eu1 O1 2.484(10) .
Eu1 Cl1 2.754(4) .
K1 O4 2.625(12) .
K1 O6 2.714(9) 8_565
K1 O6 2.714(9) .
K1 O5 2.839(8) .
K1 O5 2.839(8) 8_565
O12 P1 1.532(10) .
O12 Mo3 2.435(10) .
O12 Mo5 2.436(6) .
O12 Mo5 2.436(6) 8_575
O13 P1 1.537(6) .
O13 Mo4 2.422(6) .
O13 Mo2 2.424(6) .
O13 Mo1 2.437(7) .
O14 P1 1.550(10) .
O14 Mo7 2.399(12) .
O14 Mo6 2.443(6) 8_575
O14 Mo6 2.443(6) .
O15 Mo7 1.917(9) .
O15 Mo6 1.934(11) .
O16 Mo2 1.916(7) .
O16 Mo4 1.921(7) .
O17 Mo4 1.910(9) .
O17 Mo1 1.926(7) .
O18 Mo1 1.909(2) .
O18 Mo1 1.909(2) 8_575
O19 Mo2 1.677(7) .
O20 Mo2 1.910(7) .
O20 Mo1 1.929(7) .
O21 Mo2 1.897(2) 8_575
O21 Mo2 1.897(2) .
O22 Mo6 1.930(4) .
O22 Mo6 1.930(4) 8_575
O23 Mo3 1.910(7) .
O23 Mo2 1.911(7) .
O24 Mo1 1.694(8) .
O25 Mo5 1.649(8) .
O26 Mo4 1.902(8) .
O26 Mo5 1.916(7) .
O27 Mo3 1.688(12) .
O28 Mo5 1.922(9) .
O28 Mo3 1.925(7) .
O29 Mo5 1.916(5) .
O29 Mo5 1.916(5) 8_575
O30 Mo6 1.889(7) 8_575
O30 Mo4 1.905(8) .
O31 Mo7 1.907(7) .
O31 Mo1 1.921(7) 8_575
O32 Mo6 1.895(10) 8_575
O32 Mo5 1.910(9) .
O33 Mo6 1.661(8) .
O34 Mo4 1.676(7) .
O35 Mo7 1.683(15) .
Mo1 O31 1.921(7) 8_575
Mo3 O23 1.910(7) 8_575
Mo3 O28 1.925(7) 8_575
Mo6 O30 1.889(7) 8_575
Mo6 O32 1.895(10) 8_575
Mo7 O31 1.907(7) 8_575
Mo7 O15 1.917(9) 8_575
P1 O13 1.537(6) 8_575
C1 O1 1.262(16) .
C1 N1 1.353(12) .
C1 N1 1.353(12) 8_565
C2 O7 1.381(11) .
C2 N3 1.444(12) .
C2 N1 1.459(12) .
C2 C2 1.56(2) 8_565
C3 O4 1.233(17) .
C3 N3 1.371(12) .
C3 N3 1.371(12) 8_565
C4 N2 1.429(14) .
C4 N1 1.431(14) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C5 N4 1.472(15) .
C5 N3 1.481(14) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C6 O2 1.200(14) .
C6 N2 1.374(15) .
C6 N5 1.399(15) .
C7 O8 1.387(14) .
C7 N4 1.452(13) .
C7 N2 1.470(14) .
C7 C8 1.520(17) .
C8 O9 1.376(13) .
C8 N5 1.447(15) .
C8 N7 1.472(14) .
C9 O5 1.214(12) .
C9 N7 1.336(14) .
C9 N4 1.351(14) .
C10 N5 1.434(15) .
C10 N6 1.441(15) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C11 N7 1.459(15) .
C11 N8 1.471(16) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C12 O3 1.245(12) .
C12 N6 1.342(15) .
C12 N9 1.369(14) .
C13 O10 1.378(13) .
C13 N8 1.438(14) .
C13 N6 1.465(14) .
C13 C14 1.548(19) .
C14 O11 1.378(13) .
C14 N10 1.447(15) .
C14 N9 1.452(14) .
C15 O6 1.248(13) .
C15 N10 1.353(15) .
C15 N8 1.355(14) .
C16 N9 1.416(12) .
C16 N9 1.416(12) 8_565
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C17 N10 1.452(13) .
C17 N10 1.452(13) 8_565
C17 H17A 0.9800 .
C17 H17B 0.9800 .
O7 H7 0.8300 .
O8 H8 0.8300 .
O9 H9 0.8300 .
O10 H10 0.8300 .
O11 H11 0.8300 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.295 -0.250 0.343 213 81 ' '
2 0.205 0.250 0.843 213 81 ' '
3 0.795 -0.250 0.157 213 81 ' '
4 0.705 0.250 0.657 213 81 ' '
5 0.048 0.250 0.130 12 7 ' '
6 0.548 0.250 0.370 12 7 ' '
7 0.452 0.750 0.630 12 7 ' '
8 0.952 0.750 0.870 12 7 ' '
