# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_2_a
_database_code_depnum_ccdc_archive 'CCDC 2266768'
loop_
_audit_author_name
_audit_author_address
'Maxim Shmelev'
;N S Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2023-05-31 deposited with the CCDC.	2024-09-26 downloaded from the CCDC.
;
_audit_creation_date             2021-05-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H44 Dy Na O28 V2'
_chemical_formula_sum            'C24 H44 Dy Na O28 V2'
_chemical_formula_weight         1067.96
_chemical_melting_point          ?
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'
Dy Dy -0.1892 4.4098 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   9.097(2)
_cell_length_b                   24.739(5)
_cell_length_c                   17.116(3)
_cell_angle_alpha                90
_cell_angle_beta                 104.682(7)
_cell_angle_gamma                90
_cell_volume                     3726.2(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3135
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      33.14
_cell_measurement_theta_min      2.97
_shelx_estimated_absorpt_T_max   0.950
_shelx_estimated_absorpt_T_min   0.782
_exptl_absorpt_coefficient_mu    2.590
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.6260
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1208 before and 0.0392 after correction.
The Ratio of minimum to maximum transmission is 0.8384.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.904
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2140
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_unetI/netI     0.0385
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7547
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         2.055
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3336
_reflns_number_total             3639
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.988
_refine_diff_density_min         -1.014
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         3639
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0259
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0172P)²+8.2880P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0548
_refine_ls_wR_factor_ref         0.0567
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
2. Restrained distances
 O13-H13B \\sim O13-H13A
 with sigma of 0.02
 O11-H11B \\sim O11-H11A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C12) = Uanis(C11)
4.a Riding coordinates:
 O13(H3A,H3B)
4.b Secondary CH2 refined with riding coordinates:
 C12(H12C,H12D), C6(H6A,H6B), C10(H10A,H10B), C5(H5A,H5B), C4(H4A,H4B),
 C11(H11C,H11D)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.500000 0.40700(2) 0.250000 0.00997(7) Uani 1 2 d S T P . .
V1 V 0.30767(6) 0.59880(2) 0.38230(3) 0.01012(11) Uani 1 1 d . . . . .
Na1 Na 0.000000 0.65247(7) 0.250000 0.0156(4) Uani 1 2 d S T P . .
O9 O 0.3630(2) 0.52377(8) 0.35220(12) 0.0123(4) Uani 1 1 d . . . . .
O2 O 0.2331(3) 0.60821(10) 0.24426(13) 0.0139(5) Uani 1 1 d . . . . .
O3 O -0.0895(3) 0.73095(8) 0.31177(13) 0.0154(5) Uani 1 1 d . . . . .
O14 O 0.2213(2) 0.67280(8) 0.37001(12) 0.0133(4) Uani 1 1 d . . . . .
O5 O 0.4963(2) 0.62746(8) 0.36227(13) 0.0155(5) Uani 1 1 d . . . . .
O10 O 0.3276(2) 0.43665(8) 0.32344(12) 0.0143(5) Uani 1 1 d . . . . .
O13 O 0.6469(3) 0.33427(9) 0.21830(15) 0.0222(5) Uani 1 1 d D . . . .
H3A H -0.152107 0.720014 0.338163 0.026(10) Uiso 1 1 d R . . . .
H3B H -0.003307 0.735114 0.348663 0.048(14) Uiso 1 1 d R . . . .
O7 O 0.0922(2) 0.57367(8) 0.35473(12) 0.0124(4) Uani 1 1 d . . . . .
O8 O -0.0968(2) 0.51551(8) 0.32688(13) 0.0172(5) Uani 1 1 d . . . . .
O4 O 0.2145(3) 0.76134(8) 0.37883(13) 0.0170(5) Uani 1 1 d . . . . .
O6 O 0.6476(3) 0.68937(9) 0.33314(14) 0.0217(5) Uani 1 1 d . . . . .
O12 O 0.6215(3) 0.48058(9) 0.32663(14) 0.0157(5) Uani 1 1 d . . . . .
O1 O 0.3540(3) 0.59386(8) 0.47865(13) 0.0198(5) Uani 1 1 d . . . . .
O11 O 0.3339(3) 0.37312(9) 0.12987(14) 0.0213(5) Uani 1 1 d D . . . .
C9 C 0.2880(3) 0.47985(11) 0.35027(17) 0.0114(6) Uani 1 1 d . . . . .
C1 C 0.5390(4) 0.67700(12) 0.36051(17) 0.0132(6) Uani 1 1 d . . . . .
C8 C 0.1510(4) 0.47937(12) 0.38634(17) 0.0122(6) Uani 1 1 d . . . . .
C3 C 0.2889(4) 0.71927(11) 0.38003(17) 0.0114(6) Uani 1 1 d . . . . .
C12 C 0.0803(5) 0.42309(13) 0.3919(2) 0.0286(6) Uani 1 1 d . . . . .
H12C H -0.030724 0.424030 0.385996 0.034 Uiso 1 1 calc R U . . .
H12D H 0.106852 0.395862 0.355291 0.034 Uiso 1 1 calc R U . . .
C7 C 0.0404(4) 0.52543(12) 0.35291(17) 0.0114(6) Uani 1 1 d . . . . .
C6 C 0.5227(4) 0.72215(12) 0.49423(17) 0.0168(7) Uani 1 1 d . . . . .
H6A H 0.447741 0.709713 0.523343 0.020 Uiso 1 1 calc R U . . .
H6B H 0.621606 0.703719 0.514561 0.020 Uiso 1 1 calc R U . . .
C10 C 0.2099(4) 0.47883(13) 0.48178(18) 0.0192(7) Uani 1 1 d . . . . .
H10A H 0.319221 0.487514 0.501970 0.023 Uiso 1 1 calc R U . . .
H10B H 0.147579 0.500837 0.509538 0.023 Uiso 1 1 calc R U . . .
C2 C 0.4614(3) 0.72108(12) 0.39891(17) 0.0120(6) Uani 1 1 d . . . . .
C5 C 0.5351(4) 0.78454(13) 0.4893(2) 0.0219(7) Uani 1 1 d . . . . .
H5A H 0.449062 0.804147 0.501951 0.026 Uiso 1 1 calc R U . . .
H5B H 0.633602 0.799209 0.520701 0.026 Uiso 1 1 calc R U . . .
C4 C 0.5227(4) 0.77945(12) 0.39791(19) 0.0178(7) Uani 1 1 d . . . . .
H4A H 0.621896 0.781432 0.384089 0.021 Uiso 1 1 calc R U . . .
H4B H 0.448664 0.804737 0.364275 0.021 Uiso 1 1 calc R U . . .
C11 C 0.1748(5) 0.41827(13) 0.4801(2) 0.0286(6) Uani 1 1 d . . . . .
H11C H 0.114316 0.407460 0.518178 0.034 Uiso 1 1 calc R U . . .
H11D H 0.265919 0.395091 0.486833 0.034 Uiso 1 1 calc R U . . .
H12A H 0.712(6) 0.4899(17) 0.331(3) 0.045(14) Uiso 1 1 d . . . . .
H12B H 0.564(5) 0.5049(18) 0.328(3) 0.048(14) Uiso 1 1 d . . . . .
H2A H 0.289(4) 0.6269(14) 0.223(2) 0.020(10) Uiso 1 1 d . . . . .
H2B H 0.212(5) 0.5830(15) 0.221(2) 0.024(12) Uiso 1 1 d . . . . .
H13A H 0.702(4) 0.3426(16) 0.188(2) 0.042(13) Uiso 1 1 d D . . . .
H13B H 0.630(5) 0.3007(12) 0.212(2) 0.045(13) Uiso 1 1 d D . . . .
H11A H 0.318(5) 0.3415(11) 0.125(2) 0.034(12) Uiso 1 1 d D . . . .
H11B H 0.342(6) 0.3848(18) 0.088(2) 0.057(15) Uiso 1 1 d 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
Dy1 O10 2.361(2) . ?
Dy1 O10 2.361(2) 2_655 ?
Dy1 O13 2.384(2) . ?
Dy1 O13 2.384(2) 2_655 ?
Dy1 O12 2.349(2) . ?
Dy1 O12 2.349(2) 2_655 ?
Dy1 O11 2.375(2) 2_655 ?
Dy1 O11 2.375(2) . ?
V1 O9 2.024(2) . ?
V1 O2 2.299(2) . ?
V1 O14 1.982(2) . ?
V1 O5 1.965(2) . ?
V1 O7 1.995(2) . ?
V1 O1 1.600(2) . ?
Na1 Na1 0.000(3) 2 ?
Na1 O2 2.411(2) . ?
Na1 O2 2.411(2) 2 ?
Na1 O3 2.447(2) 2 ?
Na1 O3 2.447(2) . ?
Na1 O14 2.536(2) . ?
Na1 O14 2.536(2) 2 ?
Na1 H3B 2.6567 . ?
Na1 H3B 2.657(3) 2 ?
Na1 O7 2.637(2) 2 ?
Na1 O7 2.637(2) . ?
O9 C9 1.279(3) . ?
O2 H2A 0.83(4) . ?
O2 H2B 0.74(4) . ?
O3 H3A 0.8553 . ?
O3 H3B 0.8796 . ?
O14 C3 1.294(3) . ?
O5 C1 1.288(4) . ?
O10 C9 1.252(3) . ?
O13 H13A 0.83(3) . ?
O13 H13B 0.85(3) . ?
O7 C7 1.281(3) . ?
O8 C7 1.239(4) . ?
O4 C3 1.239(4) . ?
O6 C1 1.235(4) . ?
O12 H12A 0.84(5) . ?
O12 H12B 0.80(5) . ?
O11 H11A 0.80(3) . ?
O11 H11B 0.79(3) . ?
C9 C8 1.524(4) . ?
C1 C2 1.535(4) . ?
C8 C12 1.546(4) . ?
C8 C7 1.532(4) . ?
C8 C10 1.585(4) . ?
C3 C2 1.520(4) . ?
C12 H12C 0.9900 . ?
C12 H12D 0.9900 . ?
C12 C11 1.542(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C2 1.585(4) . ?
C6 C5 1.551(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.531(4) . ?
C2 C4 1.550(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C4 1.545(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C11 H11C 0.9900 . ?
C11 H11D 0.9900 . ?

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
O10 Dy1 O10 143.81(10) . 2_655 ?
O10 Dy1 O13 68.11(8) 2_655 . ?
O10 Dy1 O13 147.31(7) 2_655 2_655 ?
O10 Dy1 O13 147.31(7) . . ?
O10 Dy1 O13 68.11(8) . 2_655 ?
O10 Dy1 O11 90.65(8) . 2_655 ?
O10 Dy1 O11 90.65(8) 2_655 . ?
O10 Dy1 O11 102.00(8) . . ?
O10 Dy1 O11 102.00(8) 2_655 2_655 ?
O13 Dy1 O13 82.02(12) . 2_655 ?
O12 Dy1 O10 75.18(8) 2_655 2_655 ?
O12 Dy1 O10 76.97(8) 2_655 . ?
O12 Dy1 O10 75.18(8) . . ?
O12 Dy1 O10 76.97(8) . 2_655 ?
O12 Dy1 O13 120.00(9) . . ?
O12 Dy1 O13 132.00(8) . 2_655 ?
O12 Dy1 O13 120.00(9) 2_655 2_655 ?
O12 Dy1 O13 132.00(8) 2_655 . ?
O12 Dy1 O12 78.45(12) . 2_655 ?
O12 Dy1 O11 71.58(8) . 2_655 ?
O12 Dy1 O11 149.65(8) 2_655 2_655 ?
O12 Dy1 O11 71.58(8) 2_655 . ?
O12 Dy1 O11 149.65(8) . . ?
O11 Dy1 O13 78.87(9) . . ?
O11 Dy1 O13 70.14(8) . 2_655 ?
O11 Dy1 O13 70.14(8) 2_655 . ?
O11 Dy1 O13 78.87(9) 2_655 2_655 ?
O11 Dy1 O11 138.66(12) 2_655 . ?
O9 V1 O2 81.88(8) . . ?
O14 V1 O9 159.64(9) . . ?
O14 V1 O2 77.98(8) . . ?
O14 V1 O7 85.62(9) . . ?
O5 V1 O9 90.12(8) . . ?
O5 V1 O2 80.05(9) . . ?
O5 V1 O14 89.32(9) . . ?
O5 V1 O7 156.89(9) . . ?
O7 V1 O9 86.95(8) . . ?
O7 V1 O2 76.84(8) . . ?
O1 V1 O9 100.07(10) . . ?
O1 V1 O2 177.65(10) . . ?
O1 V1 O14 100.00(10) . . ?
O1 V1 O5 101.18(11) . . ?
O1 V1 O7 101.90(11) . . ?
V1 Na1 H3B 90.99(6) 2 2 ?
V1 Na1 H3B 125.8 2 . ?
Na1 Na1 V1 0(10) 2 2 ?
Na1 Na1 O2 0(10) 2 . ?
Na1 Na1 O2 0(10) 2 2 ?
Na1 Na1 O3 0(10) 2 2 ?
Na1 Na1 O3 0(10) 2 . ?
Na1 Na1 O14 0(10) 2 2 ?
Na1 Na1 O14 0(10) 2 . ?
Na1 Na1 H3B 0(10) 2 2 ?
Na1 Na1 H3B 0.0 2 . ?
Na1 Na1 O7 0(10) 2 2 ?
Na1 Na1 O7 0(10) 2 . ?
O2 Na1 V1 42.61(5) 2 2 ?
O2 Na1 V1 112.36(7) . 2 ?
O2 Na1 O2 125.97(13) . 2 ?
O2 Na1 O3 140.41(9) . . ?
O2 Na1 O3 87.14(8) . 2 ?
O2 Na1 O3 87.15(8) 2 . ?
O2 Na1 O3 140.41(9) 2 2 ?
O2 Na1 O14 125.67(7) . 2 ?
O2 Na1 O14 66.23(7) 2 2 ?
O2 Na1 O14 125.67(7) 2 . ?
O2 Na1 O14 66.23(7) . . ?
O2 Na1 H3B 99.9 2 . ?
O2 Na1 H3B 99.90(8) . 2 ?
O2 Na1 H3B 121.8 . . ?
O2 Na1 H3B 121.82(8) 2 2 ?
O2 Na1 O7 76.59(8) 2 . ?
O2 Na1 O7 63.92(7) . . ?
O2 Na1 O7 63.92(7) 2 2 ?
O2 Na1 O7 76.59(8) . 2 ?
O3 Na1 V1 109.32(6) 2 2 ?
O3 Na1 V1 106.87(6) . 2 ?
O3 Na1 O3 74.98(11) 2 . ?
O3 Na1 O14 77.03(8) . . ?
O3 Na1 O14 77.03(8) 2 2 ?
O3 Na1 O14 84.82(8) . 2 ?
O3 Na1 O14 84.82(8) 2 . ?
O3 Na1 H3B 19.3 . . ?
O3 Na1 H3B 19.29(8) 2 2 ?
O3 Na1 H3B 73.90(8) . 2 ?
O3 Na1 H3B 73.9 2 . ?
O3 Na1 O7 142.83(7) 2 . ?
O3 Na1 O7 142.83(7) . 2 ?
O3 Na1 O7 112.10(7) 2 2 ?
O3 Na1 O7 112.10(7) . . ?
O14 Na1 V1 165.83(7) . 2 ?
O14 Na1 V1 35.47(5) 2 2 ?
O14 Na1 O14 157.13(11) 2 . ?
O14 Na1 H3B 57.80(7) 2 2 ?
O14 Na1 H3B 103.17(9) . 2 ?
O14 Na1 H3B 57.8 . . ?
O14 Na1 H3B 103.2 2 . ?
O14 Na1 O7 138.39(8) 2 . ?
O14 Na1 O7 62.97(6) . . ?
O14 Na1 O7 138.39(8) . 2 ?
O14 Na1 O7 62.97(6) 2 2 ?
H3B Na1 H3B 79.4 . 2 ?
O7 Na1 V1 35.96(5) 2 2 ?
O7 Na1 V1 103.34(6) . 2 ?
O7 Na1 H3B 161.44(7) . 2 ?
O7 Na1 H3B 100.9 . . ?
O7 Na1 H3B 161.4 2 . ?
O7 Na1 H3B 100.94(7) 2 2 ?
O7 Na1 O7 84.67(10) 2 . ?
C9 O9 V1 128.34(19) . . ?
V1 O2 Na1 92.15(8) . . ?
V1 O2 Na1 92.15(8) . 2 ?
V1 O2 H2A 117(2) . . ?
V1 O2 H2B 116(3) . . ?
Na1 O2 Na1 0.0 2 . ?
Na1 O2 H2A 114(2) . . ?
Na1 O2 H2A 114(2) 2 . ?
Na1 O2 H2B 107(3) . . ?
Na1 O2 H2B 107(3) 2 . ?
H2A O2 H2B 109(4) . . ?
Na1 O3 Na1 0.00(5) 2 . ?
Na1 O3 H3A 108.4 2 . ?
Na1 O3 H3A 108.4 . . ?
Na1 O3 H3B 94.0 . . ?
Na1 O3 H3B 94.0 2 . ?
H3A O3 H3B 104.5 . . ?
V1 O14 Na1 96.59(9) . 2 ?
V1 O14 Na1 96.59(9) . . ?
Na1 O14 Na1 0.00(7) 2 . ?
C3 O14 V1 130.1(2) . . ?
C3 O14 Na1 122.43(19) . 2 ?
C3 O14 Na1 122.43(19) . . ?
C1 O5 V1 129.0(2) . . ?
C9 O10 Dy1 138.80(19) . . ?
Dy1 O13 H13A 114(3) . . ?
Dy1 O13 H13B 133(3) . . ?
H13A O13 H13B 106(4) . . ?
V1 O7 Na1 93.13(7) . . ?
V1 O7 Na1 93.13(7) . 2 ?
Na1 O7 Na1 0.0 2 . ?
C7 O7 V1 129.0(2) . . ?
C7 O7 Na1 128.37(19) . . ?
C7 O7 Na1 128.37(19) . 2 ?
Dy1 O12 H12A 125(3) . . ?
Dy1 O12 H12B 112(3) . . ?
H12A O12 H12B 115(4) . . ?
Dy1 O11 H11A 120(3) . . ?
Dy1 O11 H11B 118(4) . . ?
H11A O11 H11B 108(4) . . ?
O9 C9 C8 118.8(2) . . ?
O10 C9 O9 122.2(3) . . ?
O10 C9 C8 118.9(3) . . ?
O5 C1 C2 119.4(3) . . ?
O6 C1 O5 121.3(3) . . ?
O6 C1 C2 119.1(3) . . ?
C9 C8 C12 115.3(3) . . ?
C9 C8 C7 111.7(2) . . ?
C9 C8 C10 108.7(3) . . ?
C12 C8 C10 88.1(2) . . ?
C7 C8 C12 116.6(3) . . ?
C7 C8 C10 114.2(2) . . ?
O14 C3 C2 119.0(3) . . ?
O4 C3 O14 120.3(3) . . ?
O4 C3 C2 120.6(3) . . ?
C8 C12 H12C 113.7 . . ?
C8 C12 H12D 113.7 . . ?
H12C C12 H12D 111.0 . . ?
C11 C12 C8 89.6(3) . . ?
C11 C12 H12C 113.7 . . ?
C11 C12 H12D 113.7 . . ?
O7 C7 C8 118.8(3) . . ?
O8 C7 O7 121.6(3) . . ?
O8 C7 C8 119.6(3) . . ?
H6A C6 H6B 111.1 . . ?
C2 C6 H6A 113.9 . . ?
C2 C6 H6B 113.9 . . ?
C5 C6 H6A 113.9 . . ?
C5 C6 H6B 113.9 . . ?
C5 C6 C2 88.4(2) . . ?
C8 C10 H10A 113.9 . . ?
C8 C10 H10B 113.9 . . ?
H10A C10 H10B 111.1 . . ?
C11 C10 C8 88.6(2) . . ?
C11 C10 H10A 113.9 . . ?
C11 C10 H10B 113.9 . . ?
C1 C2 C6 111.9(2) . . ?
C1 C2 C4 116.8(2) . . ?
C3 C2 C1 116.8(2) . . ?
C3 C2 C6 107.1(2) . . ?
C3 C2 C4 112.3(2) . . ?
C4 C2 C6 87.8(2) . . ?
C6 C5 H5A 113.8 . . ?
C6 C5 H5B 113.8 . . ?
H5A C5 H5B 111.0 . . ?
C4 C5 C6 89.2(2) . . ?
C4 C5 H5A 113.8 . . ?
C4 C5 H5B 113.8 . . ?
C2 C4 H4A 113.7 . . ?
C2 C4 H4B 113.7 . . ?
C5 C4 C2 89.9(2) . . ?
C5 C4 H4A 113.7 . . ?
C5 C4 H4B 113.7 . . ?
H4A C4 H4B 110.9 . . ?
C12 C11 H11C 113.6 . . ?
C12 C11 H11D 113.6 . . ?
C10 C11 C12 90.2(2) . . ?
C10 C11 H11C 113.6 . . ?
C10 C11 H11D 113.6 . . ?
H11C C11 H11D 110.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O10 C9 O9 -11.8(5) . . . . ?
Dy1 O10 C9 C8 171.9(2) . . . . ?
V1 O9 C9 O10 173.3(2) . . . . ?
V1 O9 C9 C8 -10.3(4) . . . . ?
V1 O14 C3 O4 -171.28(19) . . . . ?
V1 O14 C3 C2 4.6(4) . . . . ?
V1 O5 C1 O6 -166.9(2) . . . . ?
V1 O5 C1 C2 17.8(4) . . . . ?
V1 O7 C7 O8 -172.77(19) . . . . ?
V1 O7 C7 C8 9.2(4) . . . . ?
Na1 O14 C3 O4 53.2(3) 2 . . . ?
Na1 O14 C3 O4 53.2(3) . . . . ?
Na1 O14 C3 C2 -130.9(2) 2 . . . ?
Na1 O14 C3 C2 -130.9(2) . . . . ?
Na1 O7 C7 O8 -35.8(4) 2 . . . ?
Na1 O7 C7 O8 -35.8(4) . . . . ?
Na1 O7 C7 C8 146.13(19) . . . . ?
Na1 O7 C7 C8 146.13(19) 2 . . . ?
O9 C9 C8 C12 -172.1(3) . . . . ?
O9 C9 C8 C7 51.7(4) . . . . ?
O9 C9 C8 C10 -75.2(3) . . . . ?
O14 C3 C2 C1 33.5(4) . . . . ?
O14 C3 C2 C6 -92.8(3) . . . . ?
O14 C3 C2 C4 172.4(2) . . . . ?
O5 C1 C2 C3 -45.4(4) . . . . ?
O5 C1 C2 C6 78.5(3) . . . . ?
O5 C1 C2 C4 177.5(3) . . . . ?
O10 C9 C8 C12 4.4(4) . . . . ?
O10 C9 C8 C7 -131.8(3) . . . . ?
O10 C9 C8 C10 101.3(3) . . . . ?
O4 C3 C2 C1 -150.6(3) . . . . ?
O4 C3 C2 C6 83.1(3) . . . . ?
O4 C3 C2 C4 -11.7(4) . . . . ?
O6 C1 C2 C3 139.1(3) . . . . ?
O6 C1 C2 C6 -97.0(3) . . . . ?
O6 C1 C2 C4 2.1(4) . . . . ?
C9 C8 C12 C11 95.8(3) . . . . ?
C9 C8 C7 O7 -51.3(3) . . . . ?
C9 C8 C7 O8 130.6(3) . . . . ?
C9 C8 C10 C11 -102.0(3) . . . . ?
C1 C2 C4 C5 -129.6(3) . . . . ?
C8 C12 C11 C10 14.5(3) . . . . ?
C8 C10 C11 C12 -14.2(3) . . . . ?
C3 C2 C4 C5 91.5(3) . . . . ?
C12 C8 C7 O7 173.1(3) . . . . ?
C12 C8 C7 O8 -5.0(4) . . . . ?
C12 C8 C10 C11 14.1(3) . . . . ?
C7 C8 C12 C11 -130.2(3) . . . . ?
C7 C8 C10 C11 132.6(3) . . . . ?
C6 C2 C4 C5 -16.1(2) . . . . ?
C6 C5 C4 C2 16.5(2) . . . . ?
C10 C8 C12 C11 -14.0(3) . . . . ?
C10 C8 C7 O7 72.5(3) . . . . ?
C10 C8 C7 O8 -105.6(3) . . . . ?
C2 C6 C5 C4 -16.1(2) . . . . ?
C5 C6 C2 C1 134.2(3) . . . . ?
C5 C6 C2 C3 -96.7(3) . . . . ?
C5 C6 C2 C4 16.1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2266772'
loop_
_audit_author_name
_audit_author_address
'Mikhail Kiskin'
;N S Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2023-05-31 deposited with the CCDC.	2024-09-26 downloaded from the CCDC.
;
_audit_creation_date             2023-05-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H44 Er Na O28 V2'
_chemical_formula_sum            'C24 H44 Er Na O28 V2'
_chemical_formula_weight         1072.72
_chemical_melting_point          ?
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'
Er Er -0.2586 4.9576 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   9.088(4)
_cell_length_b                   24.681(11)
_cell_length_c                   17.098(8)
_cell_angle_alpha                90
_cell_angle_beta                 104.589(8)
_cell_angle_gamma                90
_cell_volume                     3711(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3243
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      31.83
_cell_measurement_theta_min      2.46
_shelx_estimated_absorpt_T_max   0.600
_shelx_estimated_absorpt_T_min   0.482
_exptl_absorpt_coefficient_mu    2.848
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.4562
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1331 before and 0.0635 after correction.
The Ratio of minimum to maximum transmission is 0.5868.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.920
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2148
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0531
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6910
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.713
_diffrn_reflns_theta_max         24.713
_diffrn_reflns_theta_min         2.059
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2796
_reflns_number_total             3159
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.35A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.35A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         1.982
_refine_diff_density_min         -1.336
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         3159
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0405
_refine_ls_restrained_S_all      1.036
_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)+(0.0571P)²+18.5775P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1035
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O1) = Uanis(O2)
Uanis(C9) = Uanis(C7)
Uanis(C8) = Uanis(C2)
Uanis(O8) = Uanis(O7)
Uanis(C12) = Uanis(C11)
2.a Riding coordinates:
 O1W(H1WA,H1WB), O5W(H5WA,H5WB), O3W(H3WA,H3WB)
2.b Free rotating group:
 O4W(H4WA,H4WB)
2.c Rotating group:
 O2W(H2WA,H2WB)
2.d Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C12(H12A,H12B), C6(H6A,H6B), C5(H5A,H5B), C10(H10A,H10B),
 C11(H11A,H11B)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er 0.5000 0.59305(2) 0.2500 0.01039(14) Uani 1 2 d S T P . .
V1 V 0.30808(10) 0.40156(3) 0.38225(5) 0.0098(2) Uani 1 1 d . . . . .
Na1 Na 0.0000 0.34793(12) 0.2500 0.0154(6) Uani 1 2 d S T P . .
O1W O 0.2330(4) 0.39243(15) 0.2434(2) 0.0129(8) Uani 1 1 d . . . . .
H1WA H 0.3252 0.4137 0.2666 0.35(15) Uiso 1 1 d R . . . .
H1WB H 0.2921 0.3673 0.2188 0.09(4) Uiso 1 1 d R . . . .
O7 O 0.3637(4) 0.47675(14) 0.3522(2) 0.0122(6) Uani 1 1 d . . . . .
O1 O 0.4963(4) 0.37258(16) 0.3618(2) 0.0187(6) Uani 1 1 d . . . . .
O5W O 0.0899(4) 0.26896(15) 0.1887(2) 0.0160(8) Uani 1 1 d . . . . .
H5WA H 0.1730 0.2835 0.1753 0.05(2) Uiso 1 1 d R . . . .
H5WB H 0.0267 0.2701 0.1436 0.05(3) Uiso 1 1 d R . . . .
O5 O 0.0924(4) 0.42690(14) 0.3548(2) 0.0113(8) Uani 1 1 d . . . . .
O2 O 0.6478(4) 0.31095(16) 0.3331(2) 0.0187(6) Uani 1 1 d . . . . .
O6 O -0.0961(4) 0.48542(15) 0.3270(2) 0.0170(8) Uani 1 1 d . . . . .
O3 O 0.2206(4) 0.32757(14) 0.3698(2) 0.0125(8) Uani 1 1 d . . . . .
O4W O 0.3795(4) 0.52054(15) 0.1742(2) 0.0167(8) Uani 1 1 d G . . . .
H4WA H 0.4275 0.4931 0.1632 0.03(2) Uiso 1 1 d G . . . .
H4WB H 0.2876 0.5100 0.1645 0.026(19) Uiso 1 1 d G . . . .
O8 O 0.3298(4) 0.56400(14) 0.3233(2) 0.0122(6) Uani 1 1 d . . . . .
O9 O 0.3551(5) 0.40650(15) 0.4788(2) 0.0194(9) Uani 1 1 d . . . . .
O4 O 0.2142(4) 0.23886(14) 0.3788(2) 0.0163(8) Uani 1 1 d . . . . .
O2W O 0.6653(4) 0.62655(16) 0.3697(2) 0.0210(9) Uani 1 1 d . . . . .
H2WA H 0.6356 0.6155 0.4107 0.11(4) Uiso 1 1 d R . . . .
H2WB H 0.6576 0.6610 0.3712 0.06(3) Uiso 1 1 d R . . . .
O3W O 0.6459(5) 0.66571(16) 0.2184(3) 0.0212(9) Uani 1 1 d . . . . .
H3WA H 0.5930 0.6946 0.2121 0.14(5) Uiso 1 1 d R . . . .
H3WB H 0.7200 0.6723 0.2588 0.5(2) Uiso 1 1 d R . . . .
C1 C 0.5381(6) 0.3233(2) 0.3606(3) 0.0134(11) Uani 1 1 d . . . . .
C4 C 0.5227(7) 0.2780(2) 0.4942(3) 0.0174(12) Uani 1 1 d . . . . .
H4A H 0.6217 0.2964 0.5146 0.020(16) Uiso 1 1 calc R . . . .
H4B H 0.4476 0.2906 0.5233 0.022(16) Uiso 1 1 calc R . . . .
C8 C 0.1516(6) 0.5211(2) 0.3860(3) 0.0120(8) Uani 1 1 d . . . . .
C9 C 0.0417(6) 0.4754(2) 0.3528(3) 0.0114(8) Uani 1 1 d . . . . .
C12 C 0.0821(8) 0.5777(3) 0.3914(4) 0.0283(11) Uani 1 1 d . . . . .
H12A H -0.0292 0.5772 0.3851 0.09(3) Uiso 1 1 calc R . . . .
H12B H 0.1100 0.6049 0.3551 0.028(18) Uiso 1 1 calc R . . . .
C7 C 0.2898(6) 0.5206(2) 0.3500(3) 0.0114(8) Uani 1 1 d . . . . .
C2 C 0.4618(6) 0.2793(2) 0.3989(3) 0.0120(8) Uani 1 1 d . . . . .
C3 C 0.2881(6) 0.2808(2) 0.3800(3) 0.0109(11) Uani 1 1 d . . . . .
C6 C 0.5223(6) 0.2207(2) 0.3978(3) 0.0164(12) Uani 1 1 d . . . . .
H6A H 0.6214 0.2185 0.3837 0.04(2) Uiso 1 1 calc R . . . .
H6B H 0.4477 0.1955 0.3642 0.018(15) Uiso 1 1 calc R . . . .
C5 C 0.5349(7) 0.2157(2) 0.4896(3) 0.0192(12) Uani 1 1 d . . . . .
H5A H 0.4489 0.1961 0.5025 0.027(17) Uiso 1 1 calc R . . . .
H5B H 0.6336 0.2010 0.5209 0.026(17) Uiso 1 1 calc R . . . .
C10 C 0.2111(7) 0.5220(2) 0.4815(3) 0.0186(12) Uani 1 1 d . . . . .
H10A H 0.1494 0.4998 0.5095 0.025(17) Uiso 1 1 calc R . . . .
H10B H 0.3206 0.5134 0.5013 0.05(2) Uiso 1 1 calc R . . . .
C11 C 0.1760(8) 0.5824(2) 0.4807(4) 0.0283(11) Uani 1 1 d . . . . .
H11A H 0.2671 0.6058 0.4879 0.05(2) Uiso 1 1 calc R . . . .
H11B H 0.1146 0.5929 0.5186 0.05(3) Uiso 1 1 calc R . . . .


_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
Er1 O4W 2.317(4) . ?
Er1 O4W 2.317(4) 2_655 ?
Er1 O8 2.335(3) 2_655 ?
Er1 O8 2.335(3) . ?
Er1 O2W 2.363(4) . ?
Er1 O2W 2.363(4) 2_655 ?
Er1 O3W 2.372(4) 2_655 ?
Er1 O3W 2.372(4) . ?
V1 O1W 2.310(4) . ?
V1 H1WA 2.0440 . ?
V1 O7 2.024(4) . ?
V1 O1 1.965(4) . ?
V1 O5 1.998(4) . ?
V1 O3 1.982(4) . ?
V1 O9 1.602(4) . ?
Na1 V1 3.3934(18) 2 ?
Na1 Na1 0.000(6) 2 ?
Na1 O1W 2.413(4) 2 ?
Na1 O1W 2.413(4) . ?
Na1 O5W 2.449(4) 2 ?
Na1 O5W 2.449(4) . ?
Na1 O5 2.638(4) 2 ?
Na1 O5 2.638(4) . ?
Na1 O3 2.530(4) 2 ?
Na1 O3 2.530(4) . ?
O1W Na1 2.413(4) 2 ?
O1W H1WA 0.9830 . ?
O1W H1WB 0.9824 . ?
O7 C7 1.268(6) . ?
O1 C1 1.275(7) . ?
O5W Na1 2.449(4) 2 ?
O5W H5WA 0.9154 . ?
O5W H5WB 0.8379 . ?
O5 Na1 2.638(4) 2 ?
O5 C9 1.279(6) . ?
O2 C1 1.244(6) . ?
O6 C9 1.244(6) . ?
O3 Na1 2.530(4) 2 ?
O3 C3 1.298(6) . ?
O4W H4WA 0.8513 . ?
O4W H4WB 0.8501 . ?
O8 C7 1.255(6) . ?
O4 C3 1.231(6) . ?
O2W H2WA 0.8561 . ?
O2W H2WB 0.8529 . ?
O3W H3WA 0.8506 . ?
O3W H3WB 0.8500 . ?
C1 C2 1.522(7) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C2 1.583(7) . ?
C4 C5 1.546(8) . ?
C8 C9 1.520(7) . ?
C8 C12 1.545(8) . ?
C8 C7 1.532(7) . ?
C8 C10 1.584(7) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C11 1.554(10) . ?
C2 C3 1.530(7) . ?
C2 C6 1.549(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C5 1.550(8) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.525(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?

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
O4W Er1 O4W 78.8(2) . 2_655 ?
O4W Er1 O8 75.30(13) 2_655 . ?
O4W Er1 O8 77.24(13) . . ?
O4W Er1 O8 77.24(13) 2_655 2_655 ?
O4W Er1 O8 75.30(13) . 2_655 ?
O4W Er1 O2W 149.63(14) 2_655 2_655 ?
O4W Er1 O2W 71.21(14) 2_655 . ?
O4W Er1 O2W 71.20(14) . 2_655 ?
O4W Er1 O2W 149.64(14) . . ?
O4W Er1 O3W 119.92(15) 2_655 . ?
O4W Er1 O3W 132.01(14) 2_655 2_655 ?
O4W Er1 O3W 132.01(14) . . ?
O4W Er1 O3W 119.92(15) . 2_655 ?
O8 Er1 O8 144.23(17) 2_655 . ?
O8 Er1 O2W 90.29(14) 2_655 2_655 ?
O8 Er1 O2W 102.12(14) . 2_655 ?
O8 Er1 O2W 90.29(14) . . ?
O8 Er1 O2W 102.12(14) 2_655 . ?
O8 Er1 O3W 146.96(13) . . ?
O8 Er1 O3W 68.04(13) 2_655 . ?
O8 Er1 O3W 68.04(13) . 2_655 ?
O8 Er1 O3W 146.96(13) 2_655 2_655 ?
O2W Er1 O2W 139.0(2) . 2_655 ?
O2W Er1 O3W 70.31(15) . . ?
O2W Er1 O3W 78.93(15) . 2_655 ?
O2W Er1 O3W 70.31(15) 2_655 2_655 ?
O2W Er1 O3W 78.93(15) 2_655 . ?
O3W Er1 O3W 81.8(2) . 2_655 ?
O1W V1 H1WA 25.2 . . ?
O7 V1 O1W 81.73(14) . . ?
O7 V1 H1WA 62.3 . . ?
O1 V1 O1W 80.01(15) . . ?
O1 V1 H1WA 66.4 . . ?
O1 V1 O7 90.24(15) . . ?
O1 V1 O5 156.76(16) . . ?
O1 V1 O3 89.38(16) . . ?
O5 V1 O1W 76.76(14) . . ?
O5 V1 H1WA 92.1 . . ?
O5 V1 O7 86.94(15) . . ?
O3 V1 O1W 78.08(14) . . ?
O3 V1 H1WA 99.0 . . ?
O3 V1 O7 159.56(16) . . ?
O3 V1 O5 85.39(15) . . ?
O9 V1 O1W 177.91(18) . . ?
O9 V1 H1WA 156.9 . . ?
O9 V1 O7 99.98(18) . . ?
O9 V1 O1 101.13(19) . . ?
O9 V1 O5 102.08(18) . . ?
O9 V1 O3 100.15(18) . . ?
Na1 Na1 V1 0(10) 2 2 ?
Na1 Na1 O1W 0(10) 2 . ?
Na1 Na1 O1W 0(10) 2 2 ?
Na1 Na1 O5W 0(10) 2 2 ?
Na1 Na1 O5W 0(10) 2 . ?
Na1 Na1 O5 0(10) 2 2 ?
Na1 Na1 O5 0(10) 2 . ?
Na1 Na1 O3 0(10) 2 2 ?
Na1 Na1 O3 0(10) 2 . ?
O1W Na1 V1 42.88(9) 2 2 ?
O1W Na1 V1 112.19(12) . 2 ?
O1W Na1 O1W 125.8(2) . 2 ?
O1W Na1 O5W 140.68(14) 2 . ?
O1W Na1 O5W 87.18(13) . . ?
O1W Na1 O5W 140.68(14) . 2 ?
O1W Na1 O5W 87.18(13) 2 2 ?
O1W Na1 O5 64.06(12) 2 2 ?
O1W Na1 O5 76.39(13) 2 . ?
O1W Na1 O5 76.39(13) . 2 ?
O1W Na1 O5 64.06(12) . . ?
O1W Na1 O3 66.59(12) 2 2 ?
O1W Na1 O3 66.59(12) . . ?
O1W Na1 O3 125.32(12) 2 . ?
O1W Na1 O3 125.32(12) . 2 ?
O5W Na1 V1 106.71(10) 2 2 ?
O5W Na1 V1 109.48(10) . 2 ?
O5W Na1 O5W 74.54(19) . 2 ?
O5W Na1 O5 112.36(12) 2 . ?
O5W Na1 O5 142.71(12) 2 2 ?
O5W Na1 O5 142.71(12) . . ?
O5W Na1 O5 112.36(12) . 2 ?
O5W Na1 O3 84.66(14) . . ?
O5W Na1 O3 77.11(13) . 2 ?
O5W Na1 O3 84.66(14) 2 2 ?
O5W Na1 O3 77.11(13) 2 . ?
O5 Na1 V1 36.01(8) 2 2 ?
O5 Na1 V1 103.45(11) . 2 ?
O5 Na1 O5 84.73(18) . 2 ?
O3 Na1 V1 35.44(8) 2 2 ?
O3 Na1 V1 165.84(12) . 2 ?
O3 Na1 O5 138.48(14) . 2 ?
O3 Na1 O5 62.92(12) . . ?
O3 Na1 O5 62.92(12) 2 2 ?
O3 Na1 O5 138.48(14) 2 . ?
O3 Na1 O3 157.1(2) . 2 ?
V1 O1W Na1 91.83(13) . . ?
V1 O1W Na1 91.83(13) . 2 ?
V1 O1W H1WA 62.1 . . ?
V1 O1W H1WB 116.7 . . ?
Na1 O1W Na1 0.00(12) 2 . ?
Na1 O1W H1WA 153.2 2 . ?
Na1 O1W H1WA 153.2 . . ?
Na1 O1W H1WB 108.2 2 . ?
Na1 O1W H1WB 108.2 . . ?
H1WA O1W H1WB 90.4 . . ?
C7 O7 V1 128.7(3) . . ?
C1 O1 V1 128.7(3) . . ?
Na1 O5W Na1 0.0 2 . ?
Na1 O5W H5WA 100.5 2 . ?
Na1 O5W H5WA 100.5 . . ?
Na1 O5W H5WB 98.2 . . ?
Na1 O5W H5WB 98.2 2 . ?
H5WA O5W H5WB 100.1 . . ?
V1 O5 Na1 93.08(13) . . ?
V1 O5 Na1 93.08(13) . 2 ?
Na1 O5 Na1 0.00(9) 2 . ?
C9 O5 V1 128.6(3) . . ?
C9 O5 Na1 128.4(3) . 2 ?
C9 O5 Na1 128.4(3) . . ?
V1 O3 Na1 96.81(15) . 2 ?
V1 O3 Na1 96.81(15) . . ?
Na1 O3 Na1 0.0 2 . ?
C3 O3 V1 129.9(3) . . ?
C3 O3 Na1 122.4(3) . . ?
C3 O3 Na1 122.4(3) . 2 ?
Er1 O4W H4WA 122.8 . . ?
Er1 O4W H4WB 130.4 . . ?
H4WA O4W H4WB 104.3 . . ?
C7 O8 Er1 138.6(3) . . ?
Er1 O2W H2WA 109.6 . . ?
Er1 O2W H2WB 109.5 . . ?
H2WA O2W H2WB 104.4 . . ?
Er1 O3W H3WA 109.3 . . ?
Er1 O3W H3WB 109.4 . . ?
H3WA O3W H3WB 104.5 . . ?
O1 C1 C2 120.3(4) . . ?
O2 C1 O1 120.7(5) . . ?
O2 C1 C2 118.9(5) . . ?
H4A C4 H4B 111.1 . . ?
C2 C4 H4A 113.9 . . ?
C2 C4 H4B 113.9 . . ?
C5 C4 H4A 113.9 . . ?
C5 C4 H4B 113.9 . . ?
C5 C4 C2 88.8(4) . . ?
C9 C8 C12 117.0(5) . . ?
C9 C8 C7 111.7(4) . . ?
C9 C8 C10 114.6(4) . . ?
C12 C8 C10 88.0(4) . . ?
C7 C8 C12 114.9(5) . . ?
C7 C8 C10 108.2(4) . . ?
O5 C9 C8 119.1(4) . . ?
O6 C9 O5 121.3(5) . . ?
O6 C9 C8 119.5(5) . . ?
C8 C12 H12A 113.7 . . ?
C8 C12 H12B 113.7 . . ?
C8 C12 C11 89.7(5) . . ?
H12A C12 H12B 110.9 . . ?
C11 C12 H12A 113.7 . . ?
C11 C12 H12B 113.7 . . ?
O7 C7 C8 118.6(4) . . ?
O8 C7 O7 122.6(4) . . ?
O8 C7 C8 118.7(5) . . ?
C1 C2 C4 112.2(4) . . ?
C1 C2 C3 116.7(4) . . ?
C1 C2 C6 117.3(4) . . ?
C3 C2 C4 107.0(4) . . ?
C3 C2 C6 111.7(4) . . ?
C6 C2 C4 87.8(4) . . ?
O3 C3 C2 118.5(4) . . ?
O4 C3 O3 120.5(5) . . ?
O4 C3 C2 120.8(5) . . ?
C2 C6 H6A 113.7 . . ?
C2 C6 H6B 113.7 . . ?
C2 C6 C5 89.9(4) . . ?
H6A C6 H6B 110.9 . . ?
C5 C6 H6A 113.7 . . ?
C5 C6 H6B 113.7 . . ?
C4 C5 C6 89.1(4) . . ?
C4 C5 H5A 113.8 . . ?
C4 C5 H5B 113.8 . . ?
C6 C5 H5A 113.8 . . ?
C6 C5 H5B 113.8 . . ?
H5A C5 H5B 111.0 . . ?
C8 C10 H10A 113.8 . . ?
C8 C10 H10B 113.8 . . ?
H10A C10 H10B 111.0 . . ?
C11 C10 C8 89.3(4) . . ?
C11 C10 H10A 113.8 . . ?
C11 C10 H10B 113.8 . . ?
C12 C11 H11A 113.7 . . ?
C12 C11 H11B 113.7 . . ?
C10 C11 C12 89.9(4) . . ?
C10 C11 H11A 113.7 . . ?
C10 C11 H11B 113.7 . . ?
H11A C11 H11B 110.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Er1 O8 C7 O7 12.5(8) . . . . ?
Er1 O8 C7 C8 -171.3(3) . . . . ?
V1 O7 C7 O8 -173.4(4) . . . . ?
V1 O7 C7 C8 10.4(7) . . . . ?
V1 O1 C1 O2 167.4(4) . . . . ?
V1 O1 C1 C2 -17.3(7) . . . . ?
V1 O5 C9 O6 172.9(4) . . . . ?
V1 O5 C9 C8 -9.8(7) . . . . ?
V1 O3 C3 O4 171.3(4) . . . . ?
V1 O3 C3 C2 -4.8(7) . . . . ?
Na1 O5 C9 O6 36.7(7) . . . . ?
Na1 O5 C9 O6 36.7(7) 2 . . . ?
Na1 O5 C9 C8 -146.0(3) 2 . . . ?
Na1 O5 C9 C8 -146.0(3) . . . . ?
Na1 O3 C3 O4 -53.1(6) 2 . . . ?
Na1 O3 C3 O4 -53.1(6) . . . . ?
Na1 O3 C3 C2 130.8(4) . . . . ?
Na1 O3 C3 C2 130.8(4) 2 . . . ?
O1 C1 C2 C4 -78.5(6) . . . . ?
O1 C1 C2 C3 45.4(7) . . . . ?
O1 C1 C2 C6 -178.0(5) . . . . ?
O2 C1 C2 C4 96.8(6) . . . . ?
O2 C1 C2 C3 -139.2(5) . . . . ?
O2 C1 C2 C6 -2.6(7) . . . . ?
C1 C2 C3 O3 -33.4(7) . . . . ?
C1 C2 C3 O4 150.5(5) . . . . ?
C1 C2 C6 C5 129.8(5) . . . . ?
C4 C2 C3 O3 93.2(5) . . . . ?
C4 C2 C3 O4 -82.9(6) . . . . ?
C4 C2 C6 C5 15.8(4) . . . . ?
C8 C12 C11 C10 -13.7(5) . . . . ?
C8 C10 C11 C12 13.3(5) . . . . ?
C9 C8 C12 C11 129.9(5) . . . . ?
C9 C8 C7 O7 -51.7(6) . . . . ?
C9 C8 C7 O8 131.9(5) . . . . ?
C9 C8 C10 C11 -132.4(5) . . . . ?
C12 C8 C9 O5 -173.0(5) . . . . ?
C12 C8 C9 O6 4.4(7) . . . . ?
C12 C8 C7 O7 171.9(5) . . . . ?
C12 C8 C7 O8 -4.5(7) . . . . ?
C12 C8 C10 C11 -13.4(5) . . . . ?
C7 C8 C9 O5 51.6(6) . . . . ?
C7 C8 C9 O6 -131.1(5) . . . . ?
C7 C8 C12 C11 -96.0(5) . . . . ?
C7 C8 C10 C11 102.2(5) . . . . ?
C2 C4 C5 C6 15.8(4) . . . . ?
C2 C6 C5 C4 -16.2(4) . . . . ?
C3 C2 C6 C5 -91.6(5) . . . . ?
C6 C2 C3 O3 -172.3(4) . . . . ?
C6 C2 C3 O4 11.6(7) . . . . ?
C5 C4 C2 C1 -134.6(4) . . . . ?
C5 C4 C2 C3 96.2(5) . . . . ?
C5 C4 C2 C6 -15.9(4) . . . . ?
C10 C8 C9 O5 -72.0(6) . . . . ?
C10 C8 C9 O6 105.4(6) . . . . ?
C10 C8 C12 C11 13.2(4) . . . . ?
C10 C8 C7 O7 75.4(6) . . . . ?
C10 C8 C7 O8 -101.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
