# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_abd28501051721overn
_database_code_depnum_ccdc_archive 'CCDC 1534740'
_audit_update_record             
;
2017-02-25 deposited with the CCDC.
2017-10-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H26 Cs Gd K2 N6 O18'
_chemical_formula_weight         1030.85

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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.4903(1)
_cell_length_b                   24.0900(3)
_cell_length_c                   14.2494(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.2850(7)
_cell_angle_gamma                90.00
_cell_volume                     3156.99(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9200
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      24.30

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2004
_exptl_absorpt_coefficient_mu    3.592
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6934
_exptl_absorpt_correction_T_max  0.8408
_exptl_absorpt_process_details   'SADABS SHELXL-97 (Sheldrick, 2001)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            52735
_diffrn_reflns_av_R_equivalents  0.0636
_diffrn_reflns_av_sigmaI/netI    0.0885
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         30.00
_reflns_number_total             9200
_reflns_number_gt                6147
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART (Bruker, 2001)'
_computing_cell_refinement       'Bruker SMART (Bruker, 2001)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2001)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 2001)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1270P)²+73.9687P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9200
_refine_ls_number_parameters     461
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1247
_refine_ls_R_factor_gt           0.0806
_refine_ls_wR_factor_ref         0.2569
_refine_ls_wR_factor_gt          0.2280
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

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_assembly
_atom_site_disorder_group
Gd1 Gd 0.96249(5) 0.12022(2) 0.75342(3) 0.01259(14) Uani 1 1 d . . .
N1 N 0.9689(9) 0.1986(4) 0.8664(6) 0.0129(16) Uani 1 1 d . . .
N2 N 0.8959(10) 0.1425(4) 0.5769(6) 0.0172(18) Uani 1 1 d . . .
N3 N 1.0032(10) 0.0214(4) 0.8110(6) 0.0168(17) Uani 1 1 d . . .
O1 O 1.1778(8) 0.1259(3) 0.8863(5) 0.0177(15) Uani 1 1 d . . .
O2 O 0.7438(8) 0.1783(3) 0.7225(5) 0.0146(14) Uani 1 1 d . . .
O3 O 1.1100(8) 0.1906(3) 0.6995(5) 0.0185(15) Uani 1 1 d . . .
O4 O 0.7721(8) 0.0628(3) 0.6536(5) 0.0171(15) Uani 1 1 d . . .
O5 O 1.1351(8) 0.0659(3) 0.6887(5) 0.0190(15) Uani 1 1 d . . .
O6 O 0.8251(8) 0.0886(3) 0.8677(5) 0.0185(15) Uani 1 1 d . . .
C1 C 1.1991(12) 0.1631(5) 0.9519(8) 0.021(2) Uani 1 1 d . . .
C2 C 1.0837(10) 0.2071(4) 0.9423(7) 0.0122(18) Uani 1 1 d . . .
C3 C 1.0924(11) 0.2495(4) 1.0082(7) 0.0142(18) Uani 1 1 d . . .
H3 H 1.1770 0.2541 1.0595 0.017 Uiso 1 1 calc R . .
C4 C 0.9732(11) 0.2861(4) 0.9982(7) 0.017(2) Uani 1 1 d . . .
C5 C 0.8532(11) 0.2771(5) 0.9189(8) 0.018(2) Uani 1 1 d . . .
H5 H 0.7708 0.3007 0.9090 0.022 Uiso 1 1 calc R . .
C6 C 0.8552(11) 0.2341(4) 0.8558(7) 0.0145(19) Uani 1 1 d . . .
C7 C 0.7279(11) 0.2209(5) 0.7727(7) 0.017(2) Uani 1 1 d . . .
C8 C 1.0869(13) 0.2106(4) 0.6133(9) 0.022(2) Uani 1 1 d . . .
C9 C 0.9615(12) 0.1841(4) 0.5401(8) 0.018(2) Uani 1 1 d . . .
C10 C 0.9155(14) 0.2014(5) 0.4456(8) 0.025(2) Uani 1 1 d . . .
H10 H 0.9634 0.2313 0.4230 0.030 Uiso 1 1 calc R . .
C11 C 0.7984(13) 0.1750(4) 0.3826(8) 0.023(2) Uani 1 1 d . . .
C12 C 0.7330(13) 0.1308(5) 0.4203(8) 0.021(2) Uani 1 1 d . . .
H12 H 0.6547 0.1108 0.3800 0.026 Uiso 1 1 calc R . .
C13 C 0.7842(11) 0.1165(4) 0.5169(7) 0.0157(19) Uani 1 1 d . . .
C14 C 0.7162(11) 0.0712(4) 0.5641(8) 0.0158(19) Uani 1 1 d . . .
C15 C 1.1761(11) 0.0166(4) 0.7140(7) 0.0149(19) Uani 1 1 d . . .
C16 C 1.0928(11) -0.0122(4) 0.7784(8) 0.017(2) Uani 1 1 d . . .
C17 C 1.1021(14) -0.0676(5) 0.7953(9) 0.027(3) Uani 1 1 d . . .
H17 H 1.1655 -0.0898 0.7687 0.032 Uiso 1 1 calc R . .
C18 C 1.0183(17) -0.0920(5) 0.8516(9) 0.033(3) Uani 1 1 d . . .
C19 C 0.9247(15) -0.0572(5) 0.8876(9) 0.028(3) Uani 1 1 d . . .
H19 H 0.8646 -0.0719 0.9259 0.033 Uiso 1 1 calc R . .
C20 C 0.9217(12) -0.0019(4) 0.8666(7) 0.017(2) Uani 1 1 d . . .
C21 C 0.8166(11) 0.0380(5) 0.8945(7) 0.018(2) Uani 1 1 d . . .
C22 C 0.8759(16) -0.0724(7) 0.5530(11) 0.043(4) Uani 1 1 d . . .
H22A H 0.8543 -0.0350 0.5726 0.065 Uiso 1 1 calc R . .
H22B H 0.9718 -0.0726 0.5388 0.065 Uiso 1 1 calc R . .
H22C H 0.8756 -0.0986 0.6055 0.065 Uiso 1 1 calc R . .
Cs1 Cs 1.11679(11) 0.35681(4) 0.47880(7) 0.0451(3) Uani 1 1 d . . .
K1 K 0.5743(5) -0.0242(2) 0.4041(3) 0.0710(13) Uani 1 1 d . . .
K2 K 0.4958(6) -0.0040(2) 0.8245(4) 0.0746(13) Uani 1 1 d . . .
N4 N 0.9773(10) 0.3284(4) 1.0597(6) 0.0181(18) Uani 1 1 d . . .
H4A H 0.9036 0.3516 1.0512 0.022 Uiso 1 1 calc R . .
H4B H 1.0537 0.3330 1.1086 0.022 Uiso 1 1 calc R . .
N5 N 0.7506(14) 0.1895(5) 0.2876(7) 0.033(2) Uani 1 1 d . . .
H5A H 0.7939 0.2164 0.2637 0.040 Uiso 1 1 calc R . .
H5B H 0.6764 0.1719 0.2501 0.040 Uiso 1 1 calc R . .
N6 N 1.029(2) -0.1486(5) 0.8703(10) 0.060(5) Uani 1 1 d . . .
H6A H 1.0893 -0.1690 0.8465 0.072 Uiso 1 1 calc R . .
H6B H 0.9765 -0.1641 0.9059 0.072 Uiso 1 1 calc R . .
O7 O 1.3053(9) 0.1649(4) 1.0251(7) 0.032(2) Uani 1 1 d . . .
O8 O 0.6180(9) 0.2511(4) 0.7589(6) 0.0271(19) Uani 1 1 d . . .
O9 O 1.1565(10) 0.2484(4) 0.5873(7) 0.033(2) Uani 1 1 d . . .
O10 O 0.6093(8) 0.0458(3) 0.5142(5) 0.0194(16) Uani 1 1 d . . .
O11 O 1.2748(8) -0.0085(3) 0.6903(6) 0.0222(16) Uani 1 1 d . . .
O12 O 0.7249(10) 0.0204(3) 0.9370(6) 0.0268(18) Uani 1 1 d . . .
O13 O 0.9036(9) 0.3204(4) 0.2836(7) 0.031(2) Uani 1 1 d . . .
O14 O 0.3782(10) 0.0317(4) 0.2989(8) 0.040(2) Uani 1 1 d . . .
O15 O 0.7670(9) -0.0887(4) 0.4676(6) 0.0266(18) Uani 1 1 d . . .
O17 O 0.3727(9) 0.0403(3) 0.9262(6) 0.0222(17) Uani 1 1 d . . .
O18 O 0.5146(8) 0.0822(4) 0.7377(5) 0.0202(16) Uani 1 1 d . . .
O16A O 0.471(4) -0.0987(14) 0.862(4) 0.116(17) Uani 0.50 1 d P . 1
O16B O 0.531(2) -0.1061(8) 0.8282(14) 0.032(4) Uani 0.50 1 d P . 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Gd1 O1 2.423(8) . ?
Gd1 O4 2.436(8) . ?
Gd1 O3 2.440(7) . ?
Gd1 O6 2.445(7) . ?
Gd1 O5 2.448(7) . ?
Gd1 O2 2.451(7) . ?
Gd1 N1 2.473(9) . ?
Gd1 N2 2.496(9) . ?
Gd1 N3 2.516(9) . ?
N1 C2 1.347(13) . ?
N1 C6 1.355(13) . ?
N2 C13 1.341(14) . ?
N2 C9 1.351(13) . ?
N3 C16 1.339(13) . ?
N3 C20 1.358(13) . ?
O1 C1 1.274(13) . ?
O2 C7 1.281(12) . ?
O3 C8 1.287(14) . ?
O4 C14 1.271(13) . ?
O4 K1 3.319(9) 3_656 ?
O5 C15 1.274(13) . ?
O6 C21 1.287(13) . ?
O6 Cs1 3.112(7) 4_566 ?
C1 O7 1.260(14) . ?
C1 C2 1.507(15) . ?
C1 Cs1 3.916(11) 4_666 ?
C2 C3 1.375(14) . ?
C3 C4 1.413(14) . ?
C3 H3 0.9500 . ?
C4 N4 1.338(13) . ?
C4 C5 1.410(15) . ?
C5 C6 1.373(14) . ?
C5 H5 0.9500 . ?
C6 C7 1.503(15) . ?
C6 Cs1 3.867(10) 4_566 ?
C7 O8 1.246(13) . ?
C7 Cs1 3.843(10) 4_566 ?
C8 O9 1.235(13) . ?
C8 C9 1.517(17) . ?
C9 C10 1.374(15) . ?
C10 C11 1.397(18) . ?
C10 H10 0.9500 . ?
C11 N5 1.363(15) . ?
C11 C12 1.405(16) . ?
C12 C13 1.385(15) . ?
C12 H12 0.9500 . ?
C13 C14 1.508(14) . ?
C14 O10 1.246(13) . ?
C14 K1 3.116(11) 3_656 ?
C14 K1 3.283(11) . ?
C15 O11 1.230(12) . ?
C15 C16 1.519(14) . ?
C15 K2 3.094(11) 1_655 ?
C15 K1 3.231(10) 3_756 ?
C16 C17 1.355(16) . ?
C17 C18 1.391(18) . ?
C17 H17 0.9500 . ?
C18 N6 1.388(17) . ?
C18 C19 1.407(18) . ?
C18 Cs1 3.902(15) 2_746 ?
C19 C20 1.363(16) . ?
C19 H19 0.9500 . ?
C20 C21 1.508(15) . ?
C21 O12 1.250(12) . ?
C21 K2 3.129(12) . ?
C21 Cs1 3.547(11) 4_566 ?
C22 O15 1.442(16) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Cs1 O16A 2.81(4) 2_656 ?
Cs1 O9 3.010(9) . ?
Cs1 O6 3.112(7) 4_665 ?
Cs1 O13 3.134(9) . ?
Cs1 O7 3.226(10) 4_565 ?
Cs1 O12 3.233(9) 4_665 ?
Cs1 O17 3.349(8) 4_665 ?
Cs1 N6 3.515(19) 2_756 ?
Cs1 C21 3.547(11) 4_665 ?
Cs1 O16B 3.50(2) 2_656 ?
Cs1 O18 3.642(8) 4_665 ?
Cs1 C7 3.843(10) 4_665 ?
K1 O10 2.271(9) . ?
K1 O11 2.330(9) 3_756 ?
K1 O10 2.380(8) 3_656 ?
K1 O15 2.400(11) . ?
K1 O18 2.429(9) 3_656 ?
K1 O14 2.480(11) . ?
K1 C14 3.116(11) 3_656 ?
K1 K2 3.231(7) 3_656 ?
K1 C15 3.231(10) 3_756 ?
K1 O4 3.319(9) 3_656 ?
K1 K1 3.568(9) 3_656 ?
K2 O17 2.333(9) . ?
K2 O12 2.434(11) . ?
K2 O16A 2.37(3) . ?
K2 O14 2.450(11) 3_656 ?
K2 O18 2.446(10) . ?
K2 O11 2.467(10) 1_455 ?
K2 O16B 2.48(2) . ?
K2 C15 3.094(11) 1_455 ?
K2 K1 3.231(7) 3_656 ?
K2 Cs1 4.182(6) 4_566 ?
K2 Cs1 4.660(5) 2_646 ?
N4 H4A 0.8800 . ?
N4 H4B 0.8800 . ?
N5 H5A 0.8800 . ?
N5 H5B 0.8800 . ?
N6 Cs1 3.515(19) 2_746 ?
N6 H6A 0.8800 . ?
N6 H6B 0.8800 . ?
O7 Cs1 3.226(9) 4_666 ?
O10 K1 2.380(8) 3_656 ?
O11 K1 2.330(9) 3_756 ?
O11 K2 2.467(10) 1_655 ?
O12 Cs1 3.233(9) 4_566 ?
O14 K2 2.450(11) 3_656 ?
O17 Cs1 3.349(8) 4_566 ?
O18 K1 2.429(9) 3_656 ?
O18 Cs1 3.642(8) 4_566 ?
O16A Cs1 2.81(4) 2_646 ?
O16B Cs1 3.50(2) 2_646 ?

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
O1 Gd1 O4 148.2(3) . . ?
O1 Gd1 O3 76.6(3) . . ?
O4 Gd1 O3 127.7(2) . . ?
O1 Gd1 O6 89.0(3) . . ?
O4 Gd1 O6 76.8(2) . . ?
O3 Gd1 O6 150.2(3) . . ?
O1 Gd1 O5 79.1(3) . . ?
O4 Gd1 O5 86.9(3) . . ?
O3 Gd1 O5 76.3(2) . . ?
O6 Gd1 O5 126.9(2) . . ?
O1 Gd1 O2 128.4(2) . . ?
O4 Gd1 O2 75.3(2) . . ?
O3 Gd1 O2 94.2(2) . . ?
O6 Gd1 O2 74.3(2) . . ?
O5 Gd1 O2 148.6(2) . . ?
O1 Gd1 N1 64.4(3) . . ?
O4 Gd1 N1 135.2(2) . . ?
O3 Gd1 N1 75.5(3) . . ?
O6 Gd1 N1 74.7(3) . . ?
O5 Gd1 N1 137.9(3) . . ?
O2 Gd1 N1 64.2(2) . . ?
O1 Gd1 N2 136.9(3) . . ?
O4 Gd1 N2 64.3(3) . . ?
O3 Gd1 N2 63.6(3) . . ?
O6 Gd1 N2 134.0(3) . . ?
O5 Gd1 N2 76.2(3) . . ?
O2 Gd1 N2 72.8(3) . . ?
N1 Gd1 N2 116.8(3) . . ?
O1 Gd1 N3 76.5(3) . . ?
O4 Gd1 N3 71.7(3) . . ?
O3 Gd1 N3 134.9(3) . . ?
O6 Gd1 N3 63.4(3) . . ?
O5 Gd1 N3 63.5(3) . . ?
O2 Gd1 N3 130.8(3) . . ?
N1 Gd1 N3 122.2(3) . . ?
N2 Gd1 N3 120.8(3) . . ?
C2 N1 C6 117.2(9) . . ?
C2 N1 Gd1 121.6(6) . . ?
C6 N1 Gd1 121.2(7) . . ?
C13 N2 C9 117.8(9) . . ?
C13 N2 Gd1 120.3(7) . . ?
C9 N2 Gd1 121.6(7) . . ?
C16 N3 C20 117.0(9) . . ?
C16 N3 Gd1 121.3(6) . . ?
C20 N3 Gd1 121.2(7) . . ?
C1 O1 Gd1 124.3(7) . . ?
C7 O2 Gd1 124.6(6) . . ?
C8 O3 Gd1 125.8(7) . . ?
C14 O4 Gd1 124.1(6) . . ?
C14 O4 K1 69.7(6) . 3_656 ?
Gd1 O4 K1 148.2(3) . 3_656 ?
C15 O5 Gd1 125.3(6) . . ?
C21 O6 Gd1 125.1(6) . . ?
C21 O6 Cs1 98.9(6) . 4_566 ?
Gd1 O6 Cs1 135.8(3) . 4_566 ?
O7 C1 O1 125.5(11) . . ?
O7 C1 C2 117.8(10) . . ?
O1 C1 C2 116.6(10) . . ?
O7 C1 Cs1 48.7(6) . 4_666 ?
O1 C1 Cs1 87.7(6) . 4_666 ?
C2 C1 Cs1 142.3(6) . 4_666 ?
N1 C2 C3 124.1(9) . . ?
N1 C2 C1 113.1(9) . . ?
C3 C2 C1 122.7(9) . . ?
C2 C3 C4 118.9(9) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.6 . . ?
N4 C4 C5 122.0(10) . . ?
N4 C4 C3 121.1(10) . . ?
C5 C4 C3 116.9(9) . . ?
C6 C5 C4 120.2(10) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
N1 C6 C5 122.7(9) . . ?
N1 C6 C7 114.7(9) . . ?
C5 C6 C7 122.5(9) . . ?
N1 C6 Cs1 97.5(6) . 4_566 ?
C5 C6 Cs1 91.5(6) . 4_566 ?
C7 C6 Cs1 77.9(5) . 4_566 ?
O8 C7 O2 126.1(10) . . ?
O8 C7 C6 118.6(9) . . ?
O2 C7 C6 115.3(9) . . ?
O8 C7 Cs1 91.6(6) . 4_566 ?
O2 C7 Cs1 97.4(6) . 4_566 ?
C6 C7 Cs1 79.7(5) . 4_566 ?
O9 C8 O3 125.8(12) . . ?
O9 C8 C9 119.4(11) . . ?
O3 C8 C9 114.8(9) . . ?
N2 C9 C10 122.7(11) . . ?
N2 C9 C8 113.8(9) . . ?
C10 C9 C8 123.5(10) . . ?
C9 C10 C11 120.1(11) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
N5 C11 C10 122.6(11) . . ?
N5 C11 C12 120.3(12) . . ?
C10 C11 C12 117.1(11) . . ?
C13 C12 C11 119.2(11) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
N2 C13 C12 123.1(10) . . ?
N2 C13 C14 114.4(9) . . ?
C12 C13 C14 122.5(10) . . ?
O10 C14 O4 125.0(9) . . ?
O10 C14 C13 118.7(9) . . ?
O4 C14 C13 116.3(9) . . ?
O10 C14 K1 43.9(5) . 3_656 ?
O4 C14 K1 87.8(6) . 3_656 ?
C13 C14 K1 145.0(7) . 3_656 ?
O10 C14 K1 28.8(5) . . ?
O4 C14 K1 125.7(7) . . ?
C13 C14 K1 110.2(6) . . ?
K1 C14 K1 67.7(2) 3_656 . ?
O11 C15 O5 125.5(9) . . ?
O11 C15 C16 119.1(9) . . ?
O5 C15 C16 115.4(8) . . ?
O11 C15 K2 49.0(5) . 1_655 ?
O5 C15 K2 119.1(7) . 1_655 ?
C16 C15 K2 102.1(6) . 1_655 ?
O11 C15 K1 34.9(5) . 3_756 ?
O5 C15 K1 90.7(6) . 3_756 ?
C16 C15 K1 153.9(7) . 3_756 ?
K2 C15 K1 61.4(2) 1_655 3_756 ?
N3 C16 C17 123.6(10) . . ?
N3 C16 C15 113.8(9) . . ?
C17 C16 C15 122.5(10) . . ?
C16 C17 C18 119.7(11) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
N6 C18 C17 119.8(12) . . ?
N6 C18 C19 122.7(12) . . ?
C17 C18 C19 117.5(11) . . ?
N6 C18 Cs1 63.7(10) . 2_746 ?
C17 C18 Cs1 86.8(8) . 2_746 ?
C19 C18 Cs1 120.4(9) . 2_746 ?
C20 C19 C18 118.9(11) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
N3 C20 C19 123.3(10) . . ?
N3 C20 C21 113.5(9) . . ?
C19 C20 C21 123.0(10) . . ?
O12 C21 O6 124.5(10) . . ?
O12 C21 C20 119.8(10) . . ?
O6 C21 C20 115.6(8) . . ?
O12 C21 K2 46.0(6) . . ?
O6 C21 K2 109.8(7) . . ?
C20 C21 K2 111.4(7) . . ?
O12 C21 Cs1 65.4(6) . 4_566 ?
O6 C21 Cs1 60.1(5) . 4_566 ?
C20 C21 Cs1 171.3(7) . 4_566 ?
K2 C21 Cs1 77.3(2) . 4_566 ?
O15 C22 H22A 109.5 . . ?
O15 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O15 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O16A Cs1 O9 86.6(9) 2_656 . ?
O16A Cs1 O6 127.0(7) 2_656 4_665 ?
O9 Cs1 O6 127.8(2) . 4_665 ?
O16A Cs1 O13 124.5(9) 2_656 . ?
O9 Cs1 O13 100.7(2) . . ?
O6 Cs1 O13 91.1(2) 4_665 . ?
O16A Cs1 O7 55.1(8) 2_656 4_565 ?
O9 Cs1 O7 76.1(2) . 4_565 ?
O6 Cs1 O7 154.3(2) 4_665 4_565 ?
O13 Cs1 O7 73.3(2) . 4_565 ?
O16A Cs1 O12 88.4(8) 2_656 4_665 ?
O9 Cs1 O12 152.0(3) . 4_665 ?
O6 Cs1 O12 41.39(19) 4_665 4_665 ?
O13 Cs1 O12 104.9(2) . 4_665 ?
O7 Cs1 O12 122.3(2) 4_565 4_665 ?
O16A Cs1 O17 64.7(10) 2_656 4_665 ?
O9 Cs1 O17 138.5(2) . 4_665 ?
O6 Cs1 O17 93.71(19) 4_665 4_665 ?
O13 Cs1 O17 75.5(2) . 4_665 ?
O7 Cs1 O17 63.1(2) 4_565 4_665 ?
O12 Cs1 O17 61.0(2) 4_665 4_665 ?
O16A Cs1 N6 87.1(9) 2_656 2_756 ?
O9 Cs1 N6 71.0(3) . 2_756 ?
O6 Cs1 N6 72.3(3) 4_665 2_756 ?
O13 Cs1 N6 147.4(3) . 2_756 ?
O7 Cs1 N6 130.9(3) 4_565 2_756 ?
O12 Cs1 N6 81.3(3) 4_665 2_756 ?
O17 Cs1 N6 131.9(2) 4_665 2_756 ?
O16A Cs1 C21 106.9(8) 2_656 4_665 ?
O9 Cs1 C21 141.6(3) . 4_665 ?
O6 Cs1 C21 21.0(2) 4_665 4_665 ?
O13 Cs1 C21 100.4(2) . 4_665 ?
O7 Cs1 C21 141.1(2) 4_565 4_665 ?
O12 Cs1 C21 20.6(2) 4_665 4_665 ?
O17 Cs1 C21 78.1(2) 4_665 4_665 ?
N6 Cs1 C21 74.0(3) 2_756 4_665 ?
O16A Cs1 O16B 9.3(8) 2_656 2_656 ?
O9 Cs1 O16B 80.9(4) . 2_656 ?
O6 Cs1 O16B 136.1(4) 4_665 2_656 ?
O13 Cs1 O16B 118.2(4) . 2_656 ?
O7 Cs1 O16B 46.7(4) 4_565 2_656 ?
O12 Cs1 O16B 96.8(4) 4_665 2_656 ?
O17 Cs1 O16B 66.2(4) 4_665 2_656 ?
N6 Cs1 O16B 92.1(4) 2_756 2_656 ?
C21 Cs1 O16B 115.8(4) 4_665 2_656 ?
O16A Cs1 O18 123.0(10) 2_656 4_665 ?
O9 Cs1 O18 143.6(2) . 4_665 ?
O6 Cs1 O18 53.43(18) 4_665 4_665 ?
O13 Cs1 O18 46.5(2) . 4_665 ?
O7 Cs1 O18 102.4(2) 4_565 4_665 ?
O12 Cs1 O18 58.6(2) 4_665 4_665 ?
O17 Cs1 O18 58.79(18) 4_665 4_665 ?
N6 Cs1 O18 125.7(2) 2_756 4_665 ?
C21 Cs1 O18 55.4(2) 4_665 4_665 ?
O16B Cs1 O18 125.0(4) 2_656 4_665 ?
O16A Cs1 C7 173.2(8) 2_656 4_665 ?
O9 Cs1 C7 87.0(2) . 4_665 ?
O6 Cs1 C7 59.2(2) 4_665 4_665 ?
O13 Cs1 C7 54.8(2) . 4_665 ?
O7 Cs1 C7 121.0(2) 4_565 4_665 ?
O12 Cs1 C7 98.3(2) 4_665 4_665 ?
O17 Cs1 C7 119.6(2) 4_665 4_665 ?
N6 Cs1 C7 92.8(3) 2_756 4_665 ?
C21 Cs1 C7 79.6(2) 4_665 4_665 ?
O16B Cs1 C7 164.6(4) 2_656 4_665 ?
O18 Cs1 C7 62.3(2) 4_665 4_665 ?
O10 K1 O11 98.1(3) . 3_756 ?
O10 K1 O10 79.8(3) . 3_656 ?
O11 K1 O10 169.9(4) 3_756 3_656 ?
O10 K1 O15 104.6(3) . . ?
O11 K1 O15 85.3(3) 3_756 . ?
O10 K1 O15 104.8(3) 3_656 . ?
O10 K1 O18 164.3(4) . 3_656 ?
O11 K1 O18 81.5(3) 3_756 3_656 ?
O10 K1 O18 97.8(3) 3_656 3_656 ?
O15 K1 O18 91.0(3) . 3_656 ?
O10 K1 O14 88.5(4) . . ?
O11 K1 O14 86.8(3) 3_756 . ?
O10 K1 O14 83.3(3) 3_656 . ?
O15 K1 O14 165.5(4) . . ?
O18 K1 O14 75.8(4) 3_656 . ?
O10 K1 C14 98.8(3) . 3_656 ?
O11 K1 C14 154.0(3) 3_756 3_656 ?
O10 K1 C14 21.3(3) 3_656 3_656 ?
O15 K1 C14 109.2(3) . 3_656 ?
O18 K1 C14 76.9(3) 3_656 3_656 ?
O14 K1 C14 74.1(3) . 3_656 ?
O10 K1 K2 119.9(3) . 3_656 ?
O11 K1 K2 49.5(2) 3_756 3_656 ?
O10 K1 K2 123.1(3) 3_656 3_656 ?
O15 K1 K2 117.7(3) . 3_656 ?
O18 K1 K2 48.7(2) 3_656 3_656 ?
O14 K1 K2 48.7(3) . 3_656 ?
C14 K1 K2 104.7(3) 3_656 3_656 ?
O10 K1 C15 108.5(3) . 3_756 ?
O11 K1 C15 17.6(3) 3_756 3_756 ?
O10 K1 C15 170.6(3) 3_656 3_756 ?
O15 K1 C15 69.2(3) . 3_756 ?
O18 K1 C15 75.5(3) 3_656 3_756 ?
O14 K1 C15 101.1(3) . 3_756 ?
C14 K1 C15 152.3(3) 3_656 3_756 ?
K2 K1 C15 57.2(2) 3_656 3_756 ?
O10 K1 C14 15.3(3) . . ?
O11 K1 C14 87.6(3) 3_756 . ?
O10 K1 C14 92.1(3) 3_656 . ?
O15 K1 C14 92.7(3) . . ?
O18 K1 C14 168.2(3) 3_656 . ?
O14 K1 C14 99.1(4) . . ?
C14 K1 C14 112.3(2) 3_656 . ?
K2 K1 C14 120.0(3) 3_656 . ?
C15 K1 C14 95.4(3) 3_756 . ?
O10 K1 O4 110.2(3) . 3_656 ?
O11 K1 O4 131.6(3) 3_756 3_656 ?
O10 K1 O4 42.3(2) 3_656 3_656 ?
O15 K1 O4 121.9(3) . 3_656 ?
O18 K1 O4 60.9(2) 3_656 3_656 ?
O14 K1 O4 56.8(3) . 3_656 ?
C14 K1 O4 22.5(2) 3_656 3_656 ?
K2 K1 O4 82.21(19) 3_656 3_656 ?
C15 K1 O4 134.1(3) 3_756 3_656 ?
C14 K1 O4 125.4(3) . 3_656 ?
O10 K1 K1 41.1(2) . 3_656 ?
O11 K1 K1 138.3(3) 3_756 3_656 ?
O10 K1 K1 38.8(2) 3_656 3_656 ?
O15 K1 K1 109.3(3) . 3_656 ?
O18 K1 K1 134.7(3) 3_656 3_656 ?
O14 K1 K1 84.6(3) . 3_656 ?
C14 K1 K1 58.4(2) 3_656 3_656 ?
K2 K1 K1 133.0(3) 3_656 3_656 ?
C15 K1 K1 149.3(3) 3_756 3_656 ?
C14 K1 K1 53.9(2) . 3_656 ?
O4 K1 K1 74.1(2) 3_656 3_656 ?
O17 K2 O12 89.0(3) . . ?
O17 K2 O16A 102.0(11) . . ?
O12 K2 O16A 101.9(12) . . ?
O17 K2 O14 168.1(4) . 3_656 ?
O12 K2 O14 91.3(4) . 3_656 ?
O16A K2 O14 89.6(11) . 3_656 ?
O17 K2 O18 92.1(3) . . ?
O12 K2 O18 87.9(3) . . ?
O16A K2 O18 162.9(13) . . ?
O14 K2 O18 76.1(3) 3_656 . ?
O17 K2 O11 92.4(3) . 1_455 ?
O12 K2 O11 166.3(4) . 1_455 ?
O16A K2 O11 91.2(12) . 1_455 ?
O14 K2 O11 84.5(3) 3_656 1_455 ?
O18 K2 O11 78.5(3) . 1_455 ?
O17 K2 O16B 121.8(6) . . ?
O12 K2 O16B 97.5(5) . . ?
O16A K2 O16B 20.1(9) . . ?
O14 K2 O16B 70.0(6) 3_656 . ?
O18 K2 O16B 145.7(6) . . ?
O11 K2 O16B 93.4(6) 1_455 . ?
O17 K2 C15 70.4(3) . 1_455 ?
O12 K2 C15 154.3(4) . 1_455 ?
O16A K2 C15 97.5(10) . 1_455 ?
O14 K2 C15 105.7(4) 3_656 1_455 ?
O18 K2 C15 78.0(3) . 1_455 ?
O11 K2 C15 22.1(2) 1_455 1_455 ?
O16B K2 C15 106.3(6) . 1_455 ?
O17 K2 C21 104.5(3) . . ?
O12 K2 C21 21.7(3) . . ?
O16A K2 C21 112.5(10) . . ?
O14 K2 C21 73.0(3) 3_656 . ?
O18 K2 C21 72.5(3) . . ?
O11 K2 C21 146.7(3) 1_455 . ?
O16B K2 C21 101.4(6) . . ?
C15 K2 C21 149.9(3) 1_455 . ?
O17 K2 K1 121.3(3) . 3_656 ?
O12 K2 K1 122.8(3) . 3_656 ?
O16A K2 K1 115.0(14) . 3_656 ?
O14 K2 K1 49.5(3) 3_656 3_656 ?
O18 K2 K1 48.3(2) . 3_656 ?
O11 K2 K1 45.9(2) 1_455 3_656 ?
O16B K2 K1 102.9(5) . 3_656 ?
C15 K2 K1 61.4(2) 1_455 3_656 ?
C21 K2 K1 101.3(2) . 3_656 ?
O17 K2 Cs1 53.1(2) . 4_566 ?
O12 K2 Cs1 50.5(2) . 4_566 ?
O16A K2 Cs1 136.7(14) . 4_566 ?
O14 K2 Cs1 119.3(3) 3_656 4_566 ?
O18 K2 Cs1 60.1(2) . 4_566 ?
O11 K2 Cs1 121.0(2) 1_455 4_566 ?
O16B K2 Cs1 144.2(5) . 4_566 ?
C15 K2 Cs1 103.8(2) 1_455 4_566 ?
C21 K2 Cs1 55.8(2) . 4_566 ?
K1 K2 Cs1 108.24(17) 3_656 4_566 ?
O17 K2 Cs1 74.4(2) . 2_646 ?
O12 K2 Cs1 94.5(2) . 2_646 ?
O16A K2 Cs1 28.5(12) . 2_646 ?
O14 K2 Cs1 117.4(3) 3_656 2_646 ?
O18 K2 Cs1 166.2(2) . 2_646 ?
O11 K2 Cs1 99.1(2) 1_455 2_646 ?
O16B K2 Cs1 47.5(5) . 2_646 ?
C15 K2 Cs1 94.6(2) 1_455 2_646 ?
C21 K2 Cs1 113.0(2) . 2_646 ?
K1 K2 Cs1 137.47(19) 3_656 2_646 ?
Cs1 K2 Cs1 111.58(11) 4_566 2_646 ?
C4 N4 H4A 120.0 . . ?
C4 N4 H4B 120.0 . . ?
H4A N4 H4B 120.0 . . ?
C11 N5 H5A 120.0 . . ?
C11 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C18 N6 Cs1 95.6(10) . 2_746 ?
C18 N6 H6A 120.0 . . ?
Cs1 N6 H6A 69.2 2_746 . ?
C18 N6 H6B 120.0 . . ?
Cs1 N6 H6B 104.9 2_746 . ?
H6A N6 H6B 120.0 . . ?
C1 O7 Cs1 114.3(8) . 4_666 ?
C8 O9 Cs1 141.8(8) . . ?
C14 O10 K1 135.9(7) . . ?
C14 O10 K1 114.8(6) . 3_656 ?
K1 O10 K1 100.2(3) . 3_656 ?
C15 O11 K1 127.6(7) . 3_756 ?
C15 O11 K2 109.0(7) . 1_655 ?
K1 O11 K2 84.6(3) 3_756 1_655 ?
C21 O12 K2 112.3(7) . . ?
C21 O12 Cs1 94.0(7) . 4_566 ?
K2 O12 Cs1 94.0(3) . 4_566 ?
K2 O14 K1 81.9(3) 3_656 . ?
C22 O15 K1 117.6(8) . . ?
K2 O17 Cs1 93.0(3) . 4_566 ?
K1 O18 K2 83.0(3) 3_656 . ?
K1 O18 Cs1 166.8(3) 3_656 4_566 ?
K2 O18 Cs1 84.3(2) . 4_566 ?
K2 O16A Cs1 127.9(19) . 2_646 ?
K2 O16B Cs1 101.0(6) . 2_646 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        30.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         3.715
_refine_diff_density_min         -6.726
_refine_diff_density_rms         0.381


_exptl_crystal_preparation       ', Luminescent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_abd278_p21overn_011917
_database_code_depnum_ccdc_archive 'CCDC 1534741'
_audit_update_record             
;
2017-02-25 deposited with the CCDC.
2017-10-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H26 Cs Eu N6 Na2 O18'
_chemical_formula_weight         993.34

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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.5125(2)
_cell_length_b                   24.0522(6)
_cell_length_c                   14.1809(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.6492(15)
_cell_angle_gamma                90.00
_cell_volume                     3139.07(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    101(2)
_cell_measurement_reflns_used    5885
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      26.14

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1936
_exptl_absorpt_coefficient_mu    3.260
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5341
_exptl_absorpt_correction_T_max  0.8514
_exptl_absorpt_process_details   'SADABS SHELXL-97 (Sheldrick, 2001)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      101(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            40112
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_av_sigmaI/netI    0.1217
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.71
_diffrn_reflns_theta_max         33.17
_reflns_number_total             11895
_reflns_number_gt                7049
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART (Bruker, 2001)'
_computing_cell_refinement       'Bruker SMART (Bruker, 2001)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2001)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 2001)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0703P)²+23.1484P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11895
_refine_ls_number_parameters     452
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1400
_refine_ls_R_factor_gt           0.0709
_refine_ls_wR_factor_ref         0.1793
_refine_ls_wR_factor_gt          0.1501
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_assembly
_atom_site_disorder_group
Eu1 Eu 0.03832(4) 0.880080(15) 0.24942(2) 0.01283(9) Uani 1 1 d . . .
N1 N -0.0037(6) 0.9795(2) 0.1906(4) 0.0131(11) Uani 1 1 d . . .
N2 N 0.1094(6) 0.8577(3) 0.4291(4) 0.0144(11) Uani 1 1 d . . .
N3 N 0.0336(6) 0.8013(2) 0.1357(4) 0.0129(11) Uani 1 1 d . . .
O1 O 0.1752(6) 0.9128(2) 0.1342(4) 0.0199(11) Uani 1 1 d . . .
O2 O -0.1355(6) 0.9343(2) 0.3143(4) 0.0193(11) Uani 1 1 d . . .
O3 O 0.2302(5) 0.9382(2) 0.3520(4) 0.0170(10) Uani 1 1 d . . .
O4 O -0.1069(5) 0.8091(2) 0.3056(4) 0.0180(10) Uani 1 1 d . . .
O5 O 0.2586(5) 0.8225(2) 0.2794(3) 0.0172(10) Uani 1 1 d . . .
O6 O -0.1783(5) 0.8743(2) 0.1142(4) 0.0181(10) Uani 1 1 d . . .
C1 C 0.1827(8) 0.9630(3) 0.1088(5) 0.0185(14) Uani 1 1 d . . .
C2 C 0.0762(7) 1.0030(3) 0.1354(5) 0.0161(13) Uani 1 1 d . . .
C3 C 0.0685(9) 1.0583(3) 0.1118(6) 0.0223(16) Uani 1 1 d . . .
H3 H 0.1250 1.0731 0.0712 0.027 Uiso 1 1 calc R . .
C4 C -0.0248(9) 1.0932(3) 0.1487(6) 0.0243(16) Uani 1 1 d . . .
C5 C -0.1098(9) 1.0687(3) 0.2036(5) 0.0217(15) Uani 1 1 d . . .
H5 H -0.1772 1.0902 0.2273 0.026 Uiso 1 1 calc R . .
C6 C -0.0948(8) 1.0123(3) 0.2232(5) 0.0157(13) Uani 1 1 d . . .
C7 C -0.1771(7) 0.9836(3) 0.2869(5) 0.0169(14) Uani 1 1 d . . .
C8 C 0.2885(8) 0.9283(3) 0.4412(5) 0.0191(14) Uani 1 1 d . . .
C9 C 0.2208(7) 0.8833(3) 0.4880(5) 0.0140(12) Uani 1 1 d . . .
C10 C 0.2723(9) 0.8691(3) 0.5851(5) 0.0209(15) Uani 1 1 d . . .
H10 H 0.3497 0.8896 0.6257 0.025 Uiso 1 1 calc R . .
C11 C 0.2103(8) 0.8245(3) 0.6233(5) 0.0194(15) Uani 1 1 d . . .
C12 C 0.0910(8) 0.7984(3) 0.5614(5) 0.0202(15) Uani 1 1 d . . .
H12 H 0.0417 0.7693 0.5849 0.024 Uiso 1 1 calc R . .
C13 C 0.0456(8) 0.8156(3) 0.4652(5) 0.0176(14) Uani 1 1 d . . .
C14 C -0.0815(8) 0.7893(3) 0.3917(5) 0.0168(14) Uani 1 1 d . . .
C15 C 0.2744(7) 0.7798(3) 0.2298(5) 0.0159(13) Uani 1 1 d . . .
C16 C 0.1460(7) 0.7664(3) 0.1461(5) 0.0149(13) Uani 1 1 d . . .
C17 C 0.1495(7) 0.7230(3) 0.0832(5) 0.0159(13) Uani 1 1 d . . .
H17 H 0.2325 0.6996 0.0935 0.019 Uiso 1 1 calc R . .
C18 C 0.0286(7) 0.7135(3) 0.0034(5) 0.0166(14) Uani 1 1 d . . .
C19 C -0.0900(7) 0.7502(3) -0.0057(5) 0.0162(13) Uani 1 1 d . . .
H19 H -0.1751 0.7455 -0.0573 0.019 Uiso 1 1 calc R . .
C20 C -0.0826(7) 0.7927(3) 0.0596(5) 0.0140(13) Uani 1 1 d . . .
C21 C -0.2004(7) 0.8360(3) 0.0488(5) 0.0170(14) Uani 1 1 d . . .
C22 C 0.8763(10) 0.9267(4) 0.5572(7) 0.035(2) Uani 1 1 d . . .
H22A H 0.8570 0.9650 0.5739 0.052 Uiso 1 1 calc R . .
H22B H 0.9732 0.9246 0.5451 0.052 Uiso 1 1 calc R . .
H22C H 0.8719 0.9020 0.6112 0.052 Uiso 1 1 calc R . .
Cs1 Cs 0.38418(6) 0.85807(2) 0.02175(4) 0.03099(14) Uani 1 1 d . . .
N4 N -0.0377(10) 1.1488(3) 0.1287(6) 0.040(2) Uani 1 1 d . . .
H4A H -0.0999 1.1690 0.1505 0.048 Uiso 1 1 calc R . .
H4B H 0.0161 1.1645 0.0939 0.048 Uiso 1 1 calc R . .
N5 N 0.2594(9) 0.8106(3) 0.7197(5) 0.0293(16) Uani 1 1 d . . .
H5A H 0.2154 0.7843 0.7446 0.035 Uiso 1 1 calc R . .
H5B H 0.3349 0.8279 0.7567 0.035 Uiso 1 1 calc R . .
N6 N 0.0253(7) 0.6717(3) -0.0588(4) 0.0195(13) Uani 1 1 d . . .
H6A H -0.0522 0.6664 -0.1072 0.023 Uiso 1 1 calc R . .
H6B H 0.1007 0.6494 -0.0515 0.023 Uiso 1 1 calc R . .
Na1 Na 0.5030(3) 1.00421(14) 0.1754(2) 0.0253(7) Uani 1 1 d . . .
Na2 Na 0.5765(3) 0.97250(15) 0.4055(2) 0.0290(8) Uani 1 1 d . . .
O7 O 0.2732(6) 0.9816(2) 0.0655(4) 0.0234(12) Uani 1 1 d . . .
O8 O -0.2784(6) 1.0085(2) 0.3089(4) 0.0205(11) Uani 1 1 d . . .
O9 O 0.3969(6) 0.9539(2) 0.4901(4) 0.0222(11) Uani 1 1 d . . .
O10 O -0.1511(6) 0.7510(2) 0.4180(4) 0.0239(12) Uani 1 1 d . . .
O11 O 0.3849(6) 0.7504(2) 0.2443(4) 0.0244(12) Uani 1 1 d . . .
O12 O 0.6934(6) 0.8338(2) -0.0229(4) 0.0284(13) Uani 1 1 d . . .
O13 O 0.5282(9) 0.8934(3) -0.1712(6) 0.055(2) Uani 1 1 d . . .
O14 O 0.6256(6) 0.9599(2) 0.0728(4) 0.0220(11) Uani 1 1 d . . .
O15 O 0.3815(7) 1.0334(3) 0.3070(5) 0.0419(17) Uani 1 1 d . . .
O16 O 0.7694(6) 0.9100(3) 0.4713(4) 0.0254(12) Uani 1 1 d . . .
O17 O 0.4861(5) 0.9178(2) 0.2628(4) 0.0197(11) Uani 1 1 d . . .
O18 O 0.6003(6) 0.8203(2) 0.2187(4) 0.0253(12) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O6 2.438(5) . ?
Eu1 O4 2.452(5) . ?
Eu1 O5 2.457(5) . ?
Eu1 O2 2.459(5) . ?
Eu1 O3 2.461(5) . ?
Eu1 O1 2.462(5) . ?
Eu1 N3 2.482(6) . ?
Eu1 N2 2.523(6) . ?
Eu1 N1 2.531(6) . ?
N1 C6 1.338(9) . ?
N1 C2 1.345(8) . ?
N2 C9 1.323(9) . ?
N2 C13 1.347(9) . ?
N3 C16 1.337(9) . ?
N3 C20 1.351(9) . ?
O1 C1 1.266(9) . ?
O1 Cs1 3.135(5) . ?
O2 C7 1.279(9) . ?
O3 C8 1.269(9) . ?
O4 C14 1.276(8) . ?
O5 C15 1.275(8) . ?
O6 C21 1.287(9) . ?
C1 O7 1.259(8) . ?
C1 C2 1.513(10) . ?
C1 Na1 3.116(8) . ?
C1 Cs1 3.572(7) . ?
C2 C3 1.370(10) . ?
C3 C4 1.415(11) . ?
C3 H3 0.9500 . ?
C4 N4 1.367(10) . ?
C4 C5 1.388(11) . ?
C4 Cs1 3.838(8) 3_575 ?
C5 C6 1.384(10) . ?
C5 H5 0.9500 . ?
C6 C7 1.505(10) . ?
C7 O8 1.239(8) . ?
C7 Na1 3.094(8) 1_455 ?
C8 O9 1.249(9) . ?
C8 C9 1.497(10) . ?
C8 Na2 3.097(8) . ?
C9 C10 1.383(10) . ?
C10 C11 1.397(11) . ?
C10 H10 0.9500 . ?
C11 N5 1.370(10) . ?
C11 C12 1.396(11) . ?
C12 C13 1.386(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.520(11) . ?
C14 O10 1.245(8) . ?
C15 O11 1.240(8) . ?
C15 C16 1.507(10) . ?
C15 Cs1 3.859(7) . ?
C16 C17 1.380(9) . ?
C16 Cs1 3.888(7) . ?
C17 C18 1.414(10) . ?
C17 H17 0.9500 . ?
C18 N6 1.334(9) . ?
C18 C19 1.413(10) . ?
C19 C20 1.368(10) . ?
C19 H19 0.9500 . ?
C20 C21 1.509(10) . ?
C21 O12 1.240(9) 1_455 ?
C21 Cs1 3.909(7) 1_455 ?
C22 O16 1.433(10) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Cs1 O10 2.985(5) 4_675 ?
Cs1 O18 3.154(6) . ?
Cs1 O12 3.215(6) . ?
Cs1 O7 3.265(6) . ?
Cs1 O14 3.311(6) . ?
Cs1 N4 3.447(9) 3_575 ?
Cs1 O13 3.462(9) . ?
Cs1 O17 3.608(5) . ?
Cs1 C4 3.838(8) 3_575 ?
N4 Cs1 3.447(9) 3_575 ?
N4 H4A 0.8800 . ?
N4 H4B 0.8800 . ?
N5 H5A 0.8800 . ?
N5 H5B 0.8800 . ?
N6 H6A 0.8800 . ?
N6 H6B 0.8800 . ?
Na1 O14 2.338(6) . ?
Na1 O7 2.404(7) . ?
Na1 O8 2.434(6) 1_655 ?
Na1 O17 2.447(6) . ?
Na1 O13 2.478(8) 3_675 ?
Na1 O15 2.532(7) . ?
Na1 C7 3.094(8) 1_655 ?
Na1 Na2 3.251(5) . ?
Na1 Cs1 4.632(3) 3_675 ?
Na2 O9 2.281(6) 3_676 ?
Na2 O8 2.343(6) 1_655 ?
Na2 O9 2.365(6) . ?
Na2 O16 2.374(7) . ?
Na2 O17 2.384(6) . ?
Na2 O15 2.496(7) . ?
Na2 Na2 3.608(6) 3_676 ?
O8 Na2 2.343(6) 1_455 ?
O8 Na1 2.434(6) 1_455 ?
O9 Na2 2.281(6) 3_676 ?
O10 Cs1 2.985(5) 4_576 ?
O12 C21 1.240(9) 1_655 ?
O13 Na1 2.478(8) 3_675 ?

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
O6 Eu1 O4 77.42(17) . . ?
O6 Eu1 O5 128.17(16) . . ?
O4 Eu1 O5 94.45(17) . . ?
O6 Eu1 O2 79.05(17) . . ?
O4 Eu1 O2 76.12(17) . . ?
O5 Eu1 O2 149.15(17) . . ?
O6 Eu1 O3 148.23(16) . . ?
O4 Eu1 O3 126.72(16) . . ?
O5 Eu1 O3 75.24(16) . . ?
O2 Eu1 O3 86.91(17) . . ?
O6 Eu1 O1 88.86(17) . . ?
O4 Eu1 O1 150.96(17) . . ?
O5 Eu1 O1 73.98(17) . . ?
O2 Eu1 O1 126.66(16) . . ?
O3 Eu1 O1 76.87(17) . . ?
O6 Eu1 N3 64.68(17) . . ?
O4 Eu1 N3 76.13(17) . . ?
O5 Eu1 N3 63.68(17) . . ?
O2 Eu1 N3 138.11(18) . . ?
O3 Eu1 N3 134.97(17) . . ?
O1 Eu1 N3 74.86(18) . . ?
O6 Eu1 N2 137.68(18) . . ?
O4 Eu1 N2 63.43(18) . . ?
O5 Eu1 N2 72.90(17) . . ?
O2 Eu1 N2 76.66(18) . . ?
O3 Eu1 N2 63.59(18) . . ?
O1 Eu1 N2 133.36(18) . . ?
N3 Eu1 N2 116.70(19) . . ?
O6 Eu1 N1 76.30(17) . . ?
O4 Eu1 N1 135.22(17) . . ?
O5 Eu1 N1 130.24(17) . . ?
O2 Eu1 N1 63.73(17) . . ?
O3 Eu1 N1 71.93(17) . . ?
O1 Eu1 N1 62.93(17) . . ?
N3 Eu1 N1 122.15(18) . . ?
N2 Eu1 N1 120.93(19) . . ?
C6 N1 C2 117.7(6) . . ?
C6 N1 Eu1 120.4(4) . . ?
C2 N1 Eu1 121.5(4) . . ?
C9 N2 C13 118.4(6) . . ?
C9 N2 Eu1 120.4(4) . . ?
C13 N2 Eu1 120.8(5) . . ?
C16 N3 C20 117.5(6) . . ?
C16 N3 Eu1 121.6(4) . . ?
C20 N3 Eu1 120.9(4) . . ?
C1 O1 Eu1 124.8(4) . . ?
C1 O1 Cs1 99.6(4) . . ?
Eu1 O1 Cs1 135.5(2) . . ?
C7 O2 Eu1 124.3(4) . . ?
C8 O3 Eu1 123.6(5) . . ?
C14 O4 Eu1 125.8(5) . . ?
C15 O5 Eu1 124.9(4) . . ?
C21 O6 Eu1 124.0(4) . . ?
O7 C1 O1 124.9(7) . . ?
O7 C1 C2 118.6(7) . . ?
O1 C1 C2 116.5(6) . . ?
O7 C1 Na1 45.4(4) . . ?
O1 C1 Na1 109.8(5) . . ?
C2 C1 Na1 112.8(5) . . ?
O7 C1 Cs1 65.8(4) . . ?
O1 C1 Cs1 59.9(4) . . ?
C2 C1 Cs1 170.9(5) . . ?
Na1 C1 Cs1 76.14(16) . . ?
N1 C2 C3 123.1(6) . . ?
N1 C2 C1 113.0(6) . . ?
C3 C2 C1 123.7(6) . . ?
C2 C3 C4 119.1(7) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
N4 C4 C5 119.9(7) . . ?
N4 C4 C3 122.4(7) . . ?
C5 C4 C3 117.7(7) . . ?
N4 C4 Cs1 63.3(5) . 3_575 ?
C5 C4 Cs1 86.0(5) . 3_575 ?
C3 C4 Cs1 119.3(5) . 3_575 ?
C6 C5 C4 119.0(7) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
N1 C6 C5 123.4(7) . . ?
N1 C6 C7 114.7(6) . . ?
C5 C6 C7 121.8(6) . . ?
O8 C7 O2 124.9(7) . . ?
O8 C7 C6 119.0(7) . . ?
O2 C7 C6 116.1(6) . . ?
O8 C7 Na1 47.5(4) . 1_455 ?
O2 C7 Na1 119.5(5) . 1_455 ?
C6 C7 Na1 102.3(4) . 1_455 ?
O9 C8 O3 123.5(7) . . ?
O9 C8 C9 119.8(7) . . ?
O3 C8 C9 116.7(6) . . ?
O9 C8 Na2 44.1(3) . . ?
O3 C8 Na2 87.4(4) . . ?
C9 C8 Na2 144.9(5) . . ?
N2 C9 C10 122.6(7) . . ?
N2 C9 C8 114.9(6) . . ?
C10 C9 C8 122.4(6) . . ?
C9 C10 C11 119.9(7) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
N5 C11 C12 122.4(7) . . ?
N5 C11 C10 120.3(7) . . ?
C12 C11 C10 117.2(7) . . ?
C13 C12 C11 119.1(7) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
N2 C13 C12 122.7(7) . . ?
N2 C13 C14 114.2(6) . . ?
C12 C13 C14 123.1(6) . . ?
O10 C14 O4 125.3(7) . . ?
O10 C14 C13 119.6(6) . . ?
O4 C14 C13 115.2(6) . . ?
O11 C15 O5 125.5(7) . . ?
O11 C15 C16 119.5(6) . . ?
O5 C15 C16 114.9(6) . . ?
O11 C15 Cs1 91.4(4) . . ?
O5 C15 Cs1 97.0(4) . . ?
C16 C15 Cs1 79.9(4) . . ?
N3 C16 C17 123.6(7) . . ?
N3 C16 C15 114.8(6) . . ?
C17 C16 C15 121.6(6) . . ?
N3 C16 Cs1 97.8(4) . . ?
C17 C16 Cs1 91.4(4) . . ?
C15 C16 Cs1 77.7(4) . . ?
C16 C17 C18 119.4(7) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
N6 C18 C19 121.8(7) . . ?
N6 C18 C17 121.9(7) . . ?
C19 C18 C17 116.3(7) . . ?
C20 C19 C18 120.1(7) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
N3 C20 C19 123.2(6) . . ?
N3 C20 C21 114.3(6) . . ?
C19 C20 C21 122.4(6) . . ?
O12 C21 O6 124.9(7) 1_455 . ?
O12 C21 C20 119.0(7) 1_455 . ?
O6 C21 C20 116.1(6) . . ?
O12 C21 Cs1 48.0(4) 1_455 1_455 ?
O6 C21 Cs1 87.1(4) . 1_455 ?
C20 C21 Cs1 144.1(4) . 1_455 ?
O16 C22 H22A 109.5 . . ?
O16 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O16 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O10 Cs1 O1 127.82(15) 4_675 . ?
O10 Cs1 O18 98.66(15) 4_675 . ?
O1 Cs1 O18 91.47(13) . . ?
O10 Cs1 O12 74.79(15) 4_675 . ?
O1 Cs1 O12 154.92(14) . . ?
O18 Cs1 O12 72.43(14) . . ?
O10 Cs1 O7 153.14(15) 4_675 . ?
O1 Cs1 O7 40.89(13) . . ?
O18 Cs1 O7 105.26(14) . . ?
O12 Cs1 O7 123.96(14) . . ?
O10 Cs1 O14 138.03(14) 4_675 . ?
O1 Cs1 O14 94.12(13) . . ?
O18 Cs1 O14 76.03(14) . . ?
O12 Cs1 O14 63.82(14) . . ?
O7 Cs1 O14 61.62(13) . . ?
O10 Cs1 N4 71.45(16) 4_675 3_575 ?
O1 Cs1 N4 72.85(16) . 3_575 ?
O18 Cs1 N4 147.28(16) . 3_575 ?
O12 Cs1 N4 130.42(16) . 3_575 ?
O7 Cs1 N4 81.78(16) . 3_575 ?
O14 Cs1 N4 132.27(15) . 3_575 ?
O10 Cs1 O13 81.03(17) 4_675 . ?
O1 Cs1 O13 136.65(16) . . ?
O18 Cs1 O13 118.10(16) . . ?
O12 Cs1 O13 47.49(17) . . ?
O7 Cs1 O13 97.94(16) . . ?
O14 Cs1 O13 66.39(15) . . ?
N4 Cs1 O13 91.73(18) 3_575 . ?
O10 Cs1 C1 141.98(16) 4_675 . ?
O1 Cs1 C1 20.45(14) . . ?
O18 Cs1 C1 100.60(15) . . ?
O12 Cs1 C1 142.56(16) . . ?
O7 Cs1 C1 20.60(14) . . ?
O14 Cs1 C1 78.75(15) . . ?
N4 Cs1 C1 74.65(17) 3_575 . ?
O13 Cs1 C1 116.98(18) . . ?
O10 Cs1 O17 141.89(14) 4_675 . ?
O1 Cs1 O17 53.40(13) . . ?
O18 Cs1 O17 46.89(13) . . ?
O12 Cs1 O17 102.65(13) . . ?
O7 Cs1 O17 58.65(13) . . ?
O14 Cs1 O17 59.53(12) . . ?
N4 Cs1 O17 126.25(15) 3_575 . ?
O13 Cs1 O17 125.87(15) . . ?
C1 Cs1 O17 55.28(14) . . ?
O10 Cs1 C4 89.23(16) 4_675 3_575 ?
O1 Cs1 C4 67.28(15) . 3_575 ?
O18 Cs1 C4 157.40(15) . 3_575 ?
O12 Cs1 C4 130.17(16) . 3_575 ?
O7 Cs1 C4 64.06(16) . 3_575 ?
O14 Cs1 C4 111.71(15) . 3_575 ?
N4 Cs1 C4 20.75(16) 3_575 3_575 ?
O13 Cs1 C4 83.95(17) . 3_575 ?
C1 Cs1 C4 62.07(17) . 3_575 ?
O17 Cs1 C4 117.29(14) . 3_575 ?
O10 Cs1 C15 85.98(15) 4_675 . ?
O1 Cs1 C15 59.14(14) . . ?
O18 Cs1 C15 54.87(14) . . ?
O12 Cs1 C15 119.99(15) . . ?
O7 Cs1 C15 97.78(14) . . ?
O14 Cs1 C15 120.04(14) . . ?
N4 Cs1 C15 92.78(16) 3_575 . ?
O13 Cs1 C15 164.11(17) . . ?
C1 Cs1 C15 78.91(15) . . ?
O17 Cs1 C15 61.93(13) . . ?
C4 Cs1 C15 105.09(16) 3_575 . ?
C4 N4 Cs1 95.9(5) . 3_575 ?
C4 N4 H4A 120.0 . . ?
Cs1 N4 H4A 67.8 3_575 . ?
C4 N4 H4B 120.0 . . ?
Cs1 N4 H4B 105.9 3_575 . ?
H4A N4 H4B 120.0 . . ?
C11 N5 H5A 120.0 . . ?
C11 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C18 N6 H6A 120.0 . . ?
C18 N6 H6B 120.0 . . ?
H6A N6 H6B 120.0 . . ?
O14 Na1 O7 90.5(2) . . ?
O14 Na1 O8 92.3(2) . 1_655 ?
O7 Na1 O8 166.2(2) . 1_655 ?
O14 Na1 O17 92.1(2) . . ?
O7 Na1 O17 88.3(2) . . ?
O8 Na1 O17 78.1(2) 1_655 . ?
O14 Na1 O13 120.9(3) . 3_675 ?
O7 Na1 O13 97.2(2) . 3_675 ?
O8 Na1 O13 92.9(2) 1_655 3_675 ?
O17 Na1 O13 146.4(3) . 3_675 ?
O14 Na1 O15 167.9(2) . . ?
O7 Na1 O15 91.8(2) . . ?
O8 Na1 O15 82.8(2) 1_655 . ?
O17 Na1 O15 76.2(2) . . ?
O13 Na1 O15 70.6(3) 3_675 . ?
O14 Na1 C7 70.4(2) . 1_655 ?
O7 Na1 C7 155.6(2) . 1_655 ?
O8 Na1 C7 22.03(17) 1_655 1_655 ?
O17 Na1 C7 77.7(2) . 1_655 ?
O13 Na1 C7 105.5(3) 3_675 1_655 ?
O15 Na1 C7 103.9(2) . 1_655 ?
O14 Na1 C1 105.7(2) . . ?
O7 Na1 C1 21.88(17) . . ?
O8 Na1 C1 145.8(2) 1_655 . ?
O17 Na1 C1 72.4(2) . . ?
O13 Na1 C1 101.9(3) 3_675 . ?
O15 Na1 C1 73.6(2) . . ?
C7 Na1 C1 149.8(2) 1_655 . ?
O14 Na1 Na2 120.23(19) . . ?
O7 Na1 Na2 121.78(17) . . ?
O8 Na1 Na2 45.95(14) 1_655 . ?
O17 Na1 Na2 46.90(15) . . ?
O13 Na1 Na2 104.5(2) 3_675 . ?
O15 Na1 Na2 49.23(17) . . ?
C7 Na1 Na2 61.00(15) 1_655 . ?
C1 Na1 Na2 100.07(16) . . ?
O14 Na1 Cs1 53.04(15) . . ?
O7 Na1 Cs1 52.00(15) . . ?
O8 Na1 Cs1 120.73(16) 1_655 . ?
O17 Na1 Cs1 60.07(14) . . ?
O13 Na1 Cs1 144.7(2) 3_675 . ?
O15 Na1 Cs1 120.6(2) . . ?
C7 Na1 Cs1 103.62(16) 1_655 . ?
C1 Na1 Cs1 56.91(15) . . ?
Na2 Na1 Cs1 106.85(10) . . ?
O14 Na1 Cs1 73.86(15) . 3_675 ?
O7 Na1 Cs1 94.71(15) . 3_675 ?
O8 Na1 Cs1 99.01(15) 1_655 3_675 ?
O17 Na1 Cs1 165.59(16) . 3_675 ?
O13 Na1 Cs1 47.2(2) 3_675 3_675 ?
O15 Na1 Cs1 117.72(18) . 3_675 ?
C7 Na1 Cs1 94.32(15) 1_655 3_675 ?
C1 Na1 Cs1 113.76(16) . 3_675 ?
Na2 Na1 Cs1 138.58(11) . 3_675 ?
Cs1 Na1 Cs1 111.34(7) . 3_675 ?
O9 Na2 O8 96.2(2) 3_676 1_655 ?
O9 Na2 O9 78.1(2) 3_676 . ?
O8 Na2 O9 167.0(3) 1_655 . ?
O9 Na2 O16 106.8(2) 3_676 . ?
O8 Na2 O16 87.3(2) 1_655 . ?
O9 Na2 O16 105.5(2) . . ?
O9 Na2 O17 159.4(3) 3_676 . ?
O8 Na2 O17 81.2(2) 1_655 . ?
O9 Na2 O17 100.0(2) . . ?
O16 Na2 O17 93.5(2) . . ?
O9 Na2 O15 81.5(3) 3_676 . ?
O8 Na2 O15 85.4(2) 1_655 . ?
O9 Na2 O15 82.3(2) . . ?
O16 Na2 O15 169.5(2) . . ?
O17 Na2 O15 78.0(2) . . ?
O9 Na2 C8 96.8(2) 3_676 . ?
O8 Na2 C8 154.0(2) 1_655 . ?
O9 Na2 C8 21.56(18) . . ?
O16 Na2 C8 110.3(2) . . ?
O17 Na2 C8 78.8(2) . . ?
O15 Na2 C8 74.4(2) . . ?
O9 Na2 Na1 115.5(2) 3_676 . ?
O8 Na2 Na1 48.31(15) 1_655 . ?
O9 Na2 Na1 123.66(19) . . ?
O16 Na2 Na1 119.43(17) . . ?
O17 Na2 Na1 48.52(15) . . ?
O15 Na2 Na1 50.20(17) . . ?
C8 Na2 Na1 105.68(18) . . ?
O9 Na2 Na2 39.90(14) 3_676 3_676 ?
O8 Na2 Na2 135.0(2) 1_655 3_676 ?
O9 Na2 Na2 38.22(14) . 3_676 ?
O16 Na2 Na2 110.9(2) . 3_676 ?
O17 Na2 Na2 134.9(2) . 3_676 ?
O15 Na2 Na2 79.5(2) . 3_676 ?
C8 Na2 Na2 57.67(15) . 3_676 ?
Na1 Na2 Na2 129.42(18) . 3_676 ?
C1 O7 Na1 112.8(5) . . ?
C1 O7 Cs1 93.6(5) . . ?
Na1 O7 Cs1 92.54(18) . . ?
C7 O8 Na2 125.4(5) . 1_455 ?
C7 O8 Na1 110.5(5) . 1_455 ?
Na2 O8 Na1 85.7(2) 1_455 1_455 ?
C8 O9 Na2 133.1(5) . 3_676 ?
C8 O9 Na2 114.4(4) . . ?
Na2 O9 Na2 101.9(2) 3_676 . ?
C14 O10 Cs1 142.7(5) . 4_576 ?
C21 O12 Cs1 115.3(5) 1_655 . ?
Na1 O13 Cs1 101.2(3) 3_675 . ?
Na1 O14 Cs1 92.61(18) . . ?
Na2 O15 Na1 80.6(2) . . ?
C22 O16 Na2 117.9(5) . . ?
Na2 O17 Na1 84.6(2) . . ?
Na2 O17 Cs1 167.6(2) . . ?
Na1 O17 Cs1 83.93(16) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        33.17
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         2.561
_refine_diff_density_min         -4.232
_refine_diff_density_rms         0.290

_exptl_crystal_preparation       ', Luminescent'
