# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_kl150
_database_code_depnum_ccdc_archive 'CCDC 1827287'
_audit_update_record             
;
2018-04-11 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;
_audit_creation_date             2018-04-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_shelxl_version_number           2014/6
loop_
_audit_author_email
alex@xrlab.ineos.ac.ru
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H47 Ge5 Na Ni2 O15, 3(C2 H6 O)'
_chemical_formula_sum            'C42 H65 Ge5 Na Ni2 O18'
_chemical_formula_weight         1361.30
_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'
Ge Ge 0.1547 1.8001 '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'
Ni Ni 0.3393 1.1124 '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'

_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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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                   15.328(3)
_cell_length_b                   22.205(4)
_cell_length_c                   16.163(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.383(3)
_cell_angle_gamma                90
_cell_volume                     5373.0(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    120
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.28
_shelx_estimated_absorpt_T_max   0.498
_shelx_estimated_absorpt_T_min   0.381
_exptl_absorpt_coefficient_mu    3.519
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.3513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1444 before and 0.0666 after correction. The Ratio of minimum to maximum transmission is 0.4708. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2752
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0990
_diffrn_reflns_av_unetI/netI     0.0723
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            93790
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         1.834
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10589
_reflns_number_total             16377
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.122
_refine_diff_density_min         -1.368
_refine_diff_density_rms         0.194
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         16377
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.1408
_refine_ls_R_factor_gt           0.0794
_refine_ls_restrained_S_all      1.472
_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)+(0.0496P)²+87.9075P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1608
_refine_ls_wR_factor_ref         0.2012
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O1S-H1S
 0.85 with sigma of 0.01
 O5S-C9SA = O5S-C9SB
 1.42 with sigma of 0.005
 C9SA-C10S = C9SB-C10R
 1.5 with sigma of 0.005
 O5S-C10S
 2.42 with sigma of 0.01
 O5S-C9SB = C9SB-C10R
 2.42 with sigma of 0.01
 C4SB-O2S
 2.42 with sigma of 0.01
 O2S-C4SB
 2.42 with sigma of 0.01
 O2S-C3SA = O2S-C3SB
 1.42 with sigma of 0.005
 C3SA-C4SA = C4SB-C3SB
 1.5 with sigma of 0.005
 O2S-H2SA
 0.85 with sigma of 0.01
 O2S-H2S
 0.85 with sigma of 0.01
 O5S-H5SA
 0.85 with sigma of 0.01
 O5S-H5S
 0.85 with sigma of 0.01
 C1S-H1S
 1.89033 with sigma of 0.02
 Na1-H1S
 2.757695 with sigma of 0.02
 C3SB-H2SA
 1.883938 with sigma of 0.02
 Na1-H2SA
 2.902223 with sigma of 0.02
 C3SA-H2S
 1.882971 with sigma of 0.02
 Na1-H2S
 2.758795 with sigma of 0.02
 C9SB-H5SA
 2.065622 with sigma of 0.02
 Na1-H5SA
 3.068177 with sigma of 0.02
 C9SA-H5S
 1.867325 with sigma of 0.02
 Na1-H5S
 3.010943 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uiso(C9SA) = Uiso(C9SB)
Uiso(C10R) = Uiso(C10S)
Uanis(C3SA) = Uanis(C3SB)
Uanis(C4SB) = Uanis(C4SA)
Uanis(C25) = Uanis(C25A)
Uanis(C26) = Uanis(C26A)
Uanis(C27) = Uanis(C27A)
Uanis(C28) = Uanis(C28A)
Uanis(C29) = Uanis(C29A)
Uanis(C30) = Uanis(C30A)
Uanis(C3SB) = Uanis(C3SA)
Uanis(C4SA) = Uanis(C4SB)
4. Others
 Sof(H5SA)=Sof(C9SB)=Sof(H9SC)=Sof(H9SD)=Sof(C10R)=Sof(H10A)=Sof(H10B)=
 Sof(H10C)=1-FVAR(1)
 Sof(H5S)=Sof(C9SA)=Sof(H9SA)=Sof(H9SB)=Sof(C10S)=Sof(H10D)=Sof(H10E)=
 Sof(H10F)=FVAR(1)
 Sof(H2SA)=Sof(C3SB)=Sof(H3SC)=Sof(H3SD)=Sof(C4SB)=Sof(H4SD)=Sof(H4SE)=
 Sof(H4SF)=1-FVAR(2)
 Sof(H2S)=Sof(C3SA)=Sof(H3SA)=Sof(H3SB)=Sof(C4SA)=Sof(H4SA)=Sof(H4SB)=
 Sof(H4SC)=FVAR(2)
 Fixed Sof: C25A(0.36807) C30A(0.36807) H30A(0.36807) C29A(0.36807)
 H29A(0.36807) C28A(0.36807) H28A(0.36807) C27A(0.36807) H27A(0.36807)
 C26A(0.36807) H26A(0.36807) C27(0.63193) H27(0.63193) C28(0.63193)
 H28(0.63193) C29(0.63193) H29(0.63193) C30(0.63193) H30(0.63193) C25(0.63193)
 C26(0.63193) H26(0.63193)
5.a Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB)
5.b Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C3SA(H3SA,H3SB), C3SB(H3SC,H3SD), C9SA(H9SA,H9SB), C9SB(H9SC,
 H9SD), C5S(H5SB,H5SC), C7S(H7SA,H7SB), C11S(H11A,H11B)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C30A(H30A), C29A(H29A), C28A(H28A), C27A(H27A),
 C26A(H26A), C27(H27), C28(H28), C29(H29), C30(H30), C26(H26)
5.d Fitted hexagon refined as free rotating group:
 C25A(C30A,C29A,C28A,C27A,C26A), C27(C28,C29,C30,C25,C26)
5.e Idealised Me refined as rotating group:
 C2S(H2SB,H2SC,H2SD), C4SA(H4SA,H4SB,H4SC), C4SB(H4SD,H4SE,H4SF), C10R(H10A,
 H10B,H10C), C10S(H10D,H10E,H10F), C6S(H6SA,H6SB,H6SC), C8S(H8SA,H8SB,H8SC),
 C12S(H12A,H12B,H12C)
5.f Idealised tetrahedral OH refined as rotating group:
 O3S(H3S), O4S(H4S), O6S(H6S)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
Ge1 Ge 0.30197(5) 0.51466(4) 0.21266(4) 0.02153(16) Uani 1 1 d . . . . .
Ge2 Ge 0.10454(5) 0.55542(3) 0.21566(4) 0.01861(15) Uani 1 1 d . . . . .
Ge3 Ge 0.00756(5) 0.62658(3) 0.05478(4) 0.01877(15) Uani 1 1 d . . . . .
Ge4 Ge 0.12979(5) 0.65411(4) -0.07198(4) 0.02205(16) Uani 1 1 d . . . . .
Ge5 Ge 0.25765(5) 0.55899(4) 0.02854(4) 0.02065(16) Uani 1 1 d . . . . .
Ni1 Ni 0.13868(6) 0.44798(4) 0.09530(5) 0.01758(17) Uani 1 1 d . . . . .
Ni2 Ni -0.05468(6) 0.48453(4) 0.07415(5) 0.01688(17) Uani 1 1 d . . . . .
Na1 Na 0.2308(3) 0.68216(17) 0.1419(2) 0.0447(9) Uani 1 1 d D . . . .
O1 O 0.2624(3) 0.4476(2) 0.1676(3) 0.0220(10) Uani 1 1 d . . . . .
O1S O 0.2714(5) 0.6698(3) 0.2884(4) 0.0443(16) Uani 1 1 d D . . . .
H1S H 0.259(7) 0.6338(17) 0.3012(16) 0.066 Uiso 1 1 d DR . . . .
O1W O 0.1117(4) 0.3659(3) 0.1461(4) 0.0392(14) Uani 1 1 d . . . . .
H1WA H 0.1589 0.3526 0.1788 0.059 Uiso 1 1 d GR . . . .
H1WB H 0.0939 0.3407 0.1063 0.059 Uiso 1 1 d GR . . . .
O2 O 0.0632(3) 0.4905(2) 0.1634(3) 0.0168(9) Uani 1 1 d . . . . .
O2S O 0.1574(7) 0.7724(3) 0.1440(5) 0.072(3) Uani 1 1 d D . . . .
H2S H 0.176(10) 0.793(5) 0.189(7) 0.108 Uiso 0.341(17) 1 d DR . P A 1
H2SA H 0.150(11) 0.792(4) 0.1875(17) 0.108 Uiso 0.659(17) 1 d DR . P A 2
O2W O -0.1281(4) 0.5291(3) 0.1532(4) 0.0412(15) Uani 1 1 d . . . . .
H2WA H -0.1104 0.5613 0.1837 0.062 Uiso 1 1 d GR . . . .
H2WB H -0.1810 0.5184 0.1607 0.062 Uiso 1 1 d GR . . . .
O3 O -0.0261(3) 0.5593(2) 0.0024(3) 0.0162(9) Uani 1 1 d . . . . .
O4 O 0.0885(3) 0.5928(2) -0.1319(3) 0.0217(10) Uani 1 1 d . . . . .
O5 O 0.1629(3) 0.5161(2) 0.0235(3) 0.0196(9) Uani 1 1 d . . . . .
O5S O 0.3527(6) 0.7387(4) 0.1221(6) 0.075(3) Uani 1 1 d D . . . .
H5S H 0.368(3) 0.7756(8) 0.127(9) 0.112 Uiso 0.72(3) 1 d DR . P B 1
H5SA H 0.383(7) 0.770(4) 0.137(12) 0.112 Uiso 0.28(3) 1 d DR . P B 2
O6 O 0.2210(3) 0.5501(3) 0.2599(3) 0.0257(11) Uani 1 1 d . . . . .
O7 O 0.0958(3) 0.6173(2) 0.1440(3) 0.0218(10) Uani 1 1 d . . . . .
O8 O 0.0520(3) 0.6759(2) -0.0107(3) 0.0235(10) Uani 1 1 d . . . . .
O9 O 0.2285(3) 0.6350(2) 0.0026(3) 0.0275(11) Uani 1 1 d . . . . .
O10 O 0.3170(4) 0.5670(3) 0.1340(3) 0.0295(12) Uani 1 1 d . . . . .
C1 C 0.4116(5) 0.5117(4) 0.2972(4) 0.0277(16) Uani 1 1 d . . . . .
C1S C 0.3226(9) 0.6965(5) 0.3637(8) 0.068(4) Uani 1 1 d D . . . .
H1SA H 0.3061 0.7395 0.3650 0.081 Uiso 1 1 calc R . . . .
H1SB H 0.3867 0.6945 0.3617 0.081 Uiso 1 1 calc R . . . .
C2 C 0.4612(7) 0.5638(5) 0.3204(7) 0.054(3) Uani 1 1 d . . . . .
H2 H 0.4403 0.6015 0.2960 0.065 Uiso 1 1 calc R . . . .
C2S C 0.3102(11) 0.6676(8) 0.4418(8) 0.090(5) Uani 1 1 d . . . . .
H2SB H 0.3272 0.6251 0.4415 0.136 Uiso 1 1 calc GR . . . .
H2SC H 0.2474 0.6707 0.4455 0.136 Uiso 1 1 calc GR . . . .
H2SD H 0.3477 0.6878 0.4907 0.136 Uiso 1 1 calc GR . . . .
C3 C 0.5419(8) 0.5603(7) 0.3798(8) 0.077(4) Uani 1 1 d . . . . .
H3 H 0.5757 0.5959 0.3960 0.092 Uiso 1 1 calc R . . . .
C3SA C 0.0781(12) 0.7993(13) 0.0967(17) 0.062(5) Uani 0.341(17) 1 d D . P A 1
H3SA H 0.0480 0.8233 0.1340 0.074 Uiso 0.341(17) 1 calc R . P A 1
H3SB H 0.0362 0.7682 0.0678 0.074 Uiso 0.341(17) 1 calc R . P A 1
C3SB C 0.1320(9) 0.8099(7) 0.0714(7) 0.062(5) Uani 0.659(17) 1 d D . P A 2
H3SC H 0.1537 0.7919 0.0234 0.074 Uiso 0.659(17) 1 calc R . P A 2
H3SD H 0.1603 0.8499 0.0835 0.074 Uiso 0.659(17) 1 calc R . P A 2
C4 C 0.5725(7) 0.5072(8) 0.4143(7) 0.079(5) Uani 1 1 d . . . . .
H4 H 0.6271 0.5057 0.4554 0.095 Uiso 1 1 calc R . . . .
C4SA C 0.109(4) 0.8390(19) 0.033(3) 0.093(7) Uani 0.341(17) 1 d D . P A 1
H4SA H 0.1286 0.8778 0.0598 0.140 Uiso 0.341(17) 1 calc GR . P A 1
H4SB H 0.0593 0.8455 -0.0153 0.140 Uiso 0.341(17) 1 calc GR . P A 1
H4SC H 0.1585 0.8196 0.0145 0.140 Uiso 0.341(17) 1 calc GR . P A 1
C4SB C 0.0326(10) 0.8173(9) 0.0469(14) 0.093(7) Uani 0.659(17) 1 d D . P A 2
H4SD H 0.0053 0.7795 0.0230 0.140 Uiso 0.659(17) 1 calc GR . P A 2
H4SE H 0.0179 0.8494 0.0045 0.140 Uiso 0.659(17) 1 calc GR . P A 2
H4SF H 0.0096 0.8280 0.0970 0.140 Uiso 0.659(17) 1 calc GR . P A 2
C5 C 0.5255(7) 0.4552(7) 0.3907(7) 0.069(4) Uani 1 1 d . . . . .
H5 H 0.5482 0.4178 0.4143 0.083 Uiso 1 1 calc R . . . .
C6 C 0.4451(6) 0.4573(5) 0.3326(6) 0.046(2) Uani 1 1 d . . . . .
H6 H 0.4125 0.4212 0.3168 0.055 Uiso 1 1 calc R . . . .
C7 C 0.0520(5) 0.5801(3) 0.3081(4) 0.0229(14) Uani 1 1 d . . . . .
C8 C 0.0031(5) 0.5395(4) 0.3477(4) 0.0276(16) Uani 1 1 d . . . . .
H8 H -0.0064 0.4993 0.3278 0.033 Uiso 1 1 calc R . . . .
C9 C -0.0311(6) 0.5587(4) 0.4157(5) 0.0324(17) Uani 1 1 d . . . . .
H9 H -0.0653 0.5318 0.4416 0.039 Uiso 1 1 calc R . . . .
C9SA C 0.4305(13) 0.7044(10) 0.1232(16) 0.097(7) Uiso 0.72(3) 1 d D . P B 1
H9SA H 0.4141 0.6613 0.1150 0.117 Uiso 0.72(3) 1 calc R . P B 1
H9SB H 0.4716 0.7087 0.1792 0.117 Uiso 0.72(3) 1 calc R . P B 1
C9SB C 0.410(3) 0.695(2) 0.074(4) 0.097(7) Uiso 0.28(3) 1 d D . P B 2
H9SC H 0.3804 0.6853 0.0152 0.117 Uiso 0.28(3) 1 calc R . P B 2
H9SD H 0.4300 0.6571 0.1062 0.117 Uiso 0.28(3) 1 calc R . P B 2
C10 C -0.0159(7) 0.6167(4) 0.4463(5) 0.040(2) Uani 1 1 d . . . . .
H10 H -0.0382 0.6292 0.4941 0.048 Uiso 1 1 calc R . . . .
C10R C 0.492(4) 0.746(3) 0.082(5) 0.098(7) Uiso 0.28(3) 1 d D . P B 2
H10A H 0.4726 0.7782 0.0405 0.146 Uiso 0.28(3) 1 calc GR . P B 2
H10B H 0.5460 0.7271 0.0712 0.146 Uiso 0.28(3) 1 calc GR . P B 2
H10C H 0.5049 0.7635 0.1392 0.146 Uiso 0.28(3) 1 calc GR . P B 2
C10S C 0.4771(14) 0.7239(13) 0.0554(15) 0.098(7) Uiso 0.72(3) 1 d D . P B 1
H10D H 0.4746 0.6915 0.0139 0.146 Uiso 0.72(3) 1 calc GR . P B 1
H10E H 0.5396 0.7333 0.0808 0.146 Uiso 0.72(3) 1 calc GR . P B 1
H10F H 0.4477 0.7599 0.0272 0.146 Uiso 0.72(3) 1 calc GR . P B 1
C11 C 0.0317(8) 0.6565(5) 0.4074(7) 0.053(3) Uani 1 1 d . . . . .
H11 H 0.0416 0.6965 0.4281 0.063 Uiso 1 1 calc R . . . .
C12 C 0.0649(6) 0.6384(4) 0.3385(6) 0.039(2) Uani 1 1 d . . . . .
H12 H 0.0969 0.6662 0.3117 0.046 Uiso 1 1 calc R . . . .
C13 C -0.0894(5) 0.6682(3) 0.0886(4) 0.0239(14) Uani 1 1 d . . . . .
C14 C -0.0711(7) 0.7112(5) 0.1514(7) 0.054(3) Uani 1 1 d . . . . .
H14 H -0.0108 0.7201 0.1772 0.065 Uiso 1 1 calc R . . . .
C15 C -0.1390(9) 0.7417(6) 0.1776(9) 0.078(4) Uani 1 1 d . . . . .
H15 H -0.1247 0.7703 0.2221 0.094 Uiso 1 1 calc R . . . .
C16 C -0.2259(7) 0.7312(5) 0.1407(7) 0.053(3) Uani 1 1 d . . . . .
H16 H -0.2719 0.7530 0.1585 0.064 Uiso 1 1 calc R . . . .
C17 C -0.2468(6) 0.6893(5) 0.0781(6) 0.043(2) Uani 1 1 d . . . . .
H17 H -0.3074 0.6811 0.0527 0.051 Uiso 1 1 calc R . . . .
C18 C -0.1788(5) 0.6589(4) 0.0518(5) 0.0345(18) Uani 1 1 d . . . . .
H18 H -0.1938 0.6305 0.0070 0.041 Uiso 1 1 calc R . . . .
C19 C 0.1571(5) 0.7265(4) -0.1274(4) 0.0264(15) Uani 1 1 d . . . . .
C20 C 0.2410(7) 0.7510(5) -0.1054(7) 0.056(3) Uani 1 1 d . . . . .
H20 H 0.2861 0.7309 -0.0655 0.068 Uiso 1 1 calc R . . . .
C21 C 0.2610(9) 0.8053(6) -0.1408(8) 0.070(4) Uani 1 1 d . . . . .
H21 H 0.3196 0.8214 -0.1248 0.085 Uiso 1 1 calc R . . . .
C22 C 0.1995(10) 0.8347(5) -0.1963(7) 0.064(3) Uani 1 1 d . . . . .
H22 H 0.2141 0.8712 -0.2207 0.077 Uiso 1 1 calc R . . . .
C23 C 0.1154(9) 0.8119(5) -0.2181(7) 0.062(3) Uani 1 1 d . . . . .
H23 H 0.0709 0.8332 -0.2571 0.074 Uiso 1 1 calc R . . . .
C24 C 0.0931(7) 0.7572(4) -0.1839(6) 0.046(2) Uani 1 1 d . . . . .
H24 H 0.0342 0.7417 -0.1998 0.055 Uiso 1 1 calc R . . . .
C25A C 0.3266(16) 0.5357(9) -0.0505(12) 0.028(3) Uani 0.3681 1 d . . P C 2
C30A C 0.3342(16) 0.5722(7) -0.1183(13) 0.037(3) Uani 0.3681 1 d G . P C 2
H30A H 0.3097 0.6117 -0.1228 0.044 Uiso 0.3681 1 calc R . P C 2
C29A C 0.3778(15) 0.5511(8) -0.1796(11) 0.053(4) Uani 0.3681 1 d G . P C 2
H29A H 0.3830 0.5761 -0.2260 0.064 Uiso 0.3681 1 calc R . P C 2
C28A C 0.4137(14) 0.4933(9) -0.1731(13) 0.055(5) Uani 0.3681 1 d G . P C 2
H28A H 0.4434 0.4789 -0.2150 0.066 Uiso 0.3681 1 calc R . P C 2
C27A C 0.4060(14) 0.4568(7) -0.1052(14) 0.058(4) Uani 0.3681 1 d G . P C 2
H27A H 0.4305 0.4173 -0.1007 0.070 Uiso 0.3681 1 calc R . P C 2
C26A C 0.3624(14) 0.4779(9) -0.0439(11) 0.038(3) Uani 0.3681 1 d G . P C 2
H26A H 0.3572 0.4529 0.0025 0.046 Uiso 0.3681 1 calc R . P C 2
C27 C 0.4365(7) 0.4410(4) -0.0508(7) 0.058(4) Uani 0.6319 1 d . . P C 1
H27 H 0.4676 0.4053 -0.0294 0.070 Uiso 0.6319 1 calc R . P C 1
C28 C 0.4460(7) 0.4646(5) -0.1281(7) 0.055(5) Uani 0.6319 1 d G . P C 1
H28 H 0.4835 0.4450 -0.1595 0.066 Uiso 0.6319 1 calc R . P C 1
C29 C 0.4006(8) 0.5168(5) -0.1593(6) 0.053(4) Uani 0.6319 1 d G . P C 1
H29 H 0.4071 0.5329 -0.2121 0.064 Uiso 0.6319 1 calc R . P C 1
C30 C 0.3457(8) 0.5454(4) -0.1134(6) 0.037(3) Uani 0.6319 1 d G . P C 1
H30 H 0.3147 0.5811 -0.1347 0.044 Uiso 0.6319 1 calc R . P C 1
C25 C 0.3363(8) 0.5218(5) -0.0361(6) 0.028(3) Uani 0.6319 1 d G . P C 1
C26 C 0.3817(8) 0.4696(5) -0.0048(6) 0.038(3) Uani 0.6319 1 d G . P C 1
H26 H 0.3752 0.4535 0.0480 0.046 Uiso 0.6319 1 calc R . P C 1
O3S O 0.1833(4) 0.8404(3) 0.2862(4) 0.0431(15) Uani 1 1 d . . . . .
H3S H 0.1945 0.8768 0.2983 0.065 Uiso 1 1 calc GR . . . .
C5S C 0.1362(9) 0.8160(6) 0.3425(7) 0.063(3) Uani 1 1 d . . . . .
H5SB H 0.1694 0.8241 0.4010 0.076 Uiso 1 1 calc R . . . .
H5SC H 0.1333 0.7717 0.3347 0.076 Uiso 1 1 calc R . . . .
C6S C 0.0447(9) 0.8395(7) 0.3325(9) 0.077(4) Uani 1 1 d . . . . .
H6SA H 0.0151 0.8195 0.3731 0.116 Uiso 1 1 calc GR . . . .
H6SB H 0.0111 0.8316 0.2747 0.116 Uiso 1 1 calc GR . . . .
H6SC H 0.0469 0.8830 0.3430 0.116 Uiso 1 1 calc GR . . . .
O4S O 0.0615(4) 0.6010(3) -0.2943(3) 0.0355(14) Uani 1 1 d . . . . .
H4S H 0.0692 0.6019 -0.2413 0.053 Uiso 1 1 calc GR . . . .
C7S C 0.1363(7) 0.6262(5) -0.3188(5) 0.042(2) Uani 1 1 d . . . . .
H7SA H 0.1766 0.6435 -0.2682 0.051 Uiso 1 1 calc R . . . .
H7SB H 0.1161 0.6595 -0.3591 0.051 Uiso 1 1 calc R . . . .
C8S C 0.1869(8) 0.5820(6) -0.3589(9) 0.069(4) Uani 1 1 d . . . . .
H8SA H 0.1472 0.5644 -0.4087 0.104 Uiso 1 1 calc GR . . . .
H8SB H 0.2100 0.5501 -0.3182 0.104 Uiso 1 1 calc GR . . . .
H8SC H 0.2368 0.6024 -0.3762 0.104 Uiso 1 1 calc GR . . . .
O6S O 0.3935(5) 0.8586(3) 0.1379(5) 0.0490(17) Uani 1 1 d . . . . .
H6S H 0.4462 0.8710 0.1544 0.073 Uiso 1 1 calc GR . . . .
C11S C 0.3324(6) 0.9059(5) 0.1470(5) 0.041(2) Uani 1 1 d . . . . .
H11A H 0.3615 0.9334 0.1930 0.049 Uiso 1 1 calc R . . . .
H11B H 0.2794 0.8882 0.1635 0.049 Uiso 1 1 calc R . . . .
C12S C 0.3031(7) 0.9413(6) 0.0671(6) 0.053(3) Uani 1 1 d . . . . .
H12A H 0.2753 0.9141 0.0211 0.080 Uiso 1 1 calc GR . . . .
H12B H 0.3550 0.9609 0.0524 0.080 Uiso 1 1 calc GR . . . .
H12C H 0.2598 0.9719 0.0754 0.080 Uiso 1 1 calc GR . . . .


_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
Ge1 O1 1.712(5) . ?
Ge1 O6 1.774(5) . ?
Ge1 O10 1.774(5) . ?
Ge1 C1 1.926(7) . ?
Ge2 O2 1.721(5) . ?
Ge2 O6 1.779(5) . ?
Ge2 O7 1.784(5) . ?
Ge2 C7 1.923(7) . ?
Ge3 O3 1.740(5) . ?
Ge3 O7 1.765(5) . ?
Ge3 O8 1.758(5) . ?
Ge3 C13 1.927(7) . ?
Ge4 Na1 3.527(4) . ?
Ge4 O4 1.711(5) . ?
Ge4 O8 1.773(5) . ?
Ge4 O9 1.772(5) . ?
Ge4 C19 1.930(7) . ?
Ge5 Na1 3.367(4) . ?
Ge5 O5 1.724(5) . ?
Ge5 O9 1.773(6) . ?
Ge5 O10 1.760(5) . ?
Ge5 C25A 1.895(12) . ?
Ge5 C25 1.940(6) . ?
Ni1 O1 2.002(5) . ?
Ni1 O1W 2.077(6) . ?
Ni1 O2 1.997(4) . ?
Ni1 O3 2.081(4) 3_565 ?
Ni1 O5 1.990(5) . ?
Ni2 O2 2.060(4) . ?
Ni2 O2W 2.120(6) . ?
Ni2 O3 2.160(4) 3_565 ?
Ni2 O3 2.123(5) . ?
Ni2 O4 2.073(5) 3_565 ?
Ni2 O5 2.030(5) 3_565 ?
Na1 O1S 2.331(7) . ?
Na1 O2S 2.302(9) . ?
Na1 O5S 2.329(9) . ?
Na1 O7 2.526(6) . ?
Na1 O9 2.477(6) . ?
Na1 O10 2.893(7) . ?
O1S C1S 1.427(12) . ?
O2S C3SA 1.421(5) . ?
O2S C3SB 1.423(5) . ?
O3 Ni1 2.081(4) 3_565 ?
O3 Ni2 2.160(4) 3_565 ?
O4 Ni2 2.073(5) 3_565 ?
O5 Ni2 2.030(5) 3_565 ?
O5S C9SA 1.412(5) . ?
O5S C9SB 1.621(5) . ?
C1 C2 1.391(13) . ?
C1 C6 1.388(13) . ?
C1S C2S 1.464(19) . ?
C2 C3 1.397(15) . ?
C3 C4 1.35(2) . ?
C3SA C4SA 1.500(5) . ?
C3SB C4SB 1.499(5) . ?
C4 C5 1.370(19) . ?
C5 C6 1.380(13) . ?
C7 C8 1.411(10) . ?
C7 C12 1.384(11) . ?
C8 C9 1.381(10) . ?
C9 C10 1.381(13) . ?
C9SA C10S 1.495(5) . ?
C9SB C10R 1.682(5) . ?
C10 C11 1.380(13) . ?
C11 C12 1.379(12) . ?
C13 C14 1.378(12) . ?
C13 C18 1.387(11) . ?
C14 C15 1.380(14) . ?
C15 C16 1.358(17) . ?
C16 C17 1.360(15) . ?
C17 C18 1.384(12) . ?
C19 C20 1.371(12) . ?
C19 C24 1.369(12) . ?
C20 C21 1.395(14) . ?
C21 C22 1.325(18) . ?
C22 C23 1.360(18) . ?
C23 C24 1.406(14) . ?
C25A C30A 1.3900 . ?
C25A C26A 1.3900 . ?
C30A C29A 1.3900 . ?
C29A C28A 1.3900 . ?
C28A C27A 1.3900 . ?
C27A C26A 1.3900 . ?
C27 C28 1.3900 . ?
C27 C26 1.3900 . ?
C28 C29 1.3900 . ?
C29 C30 1.3900 . ?
C30 C25 1.3900 . ?
C25 C26 1.3900 . ?
O3S C5S 1.387(13) . ?
C5S C6S 1.474(18) . ?
O4S C7S 1.407(10) . ?
C7S C8S 1.483(15) . ?
O6S C11S 1.435(12) . ?
C11S C12S 1.496(13) . ?

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 Ge1 O6 110.6(2) . . ?
O1 Ge1 O10 110.7(2) . . ?
O1 Ge1 C1 116.6(3) . . ?
O6 Ge1 O10 103.2(3) . . ?
O6 Ge1 C1 107.1(3) . . ?
O10 Ge1 C1 107.7(3) . . ?
O2 Ge2 O6 111.9(2) . . ?
O2 Ge2 O7 111.0(2) . . ?
O2 Ge2 C7 116.7(3) . . ?
O6 Ge2 O7 104.0(2) . . ?
O6 Ge2 C7 105.0(3) . . ?
O7 Ge2 C7 107.5(3) . . ?
O3 Ge3 O7 113.1(2) . . ?
O3 Ge3 O8 110.8(2) . . ?
O3 Ge3 C13 112.6(3) . . ?
O7 Ge3 C13 109.1(3) . . ?
O8 Ge3 O7 103.6(2) . . ?
O8 Ge3 C13 107.1(3) . . ?
O4 Ge4 Na1 136.59(17) . . ?
O4 Ge4 O8 108.8(2) . . ?
O4 Ge4 O9 110.6(2) . . ?
O4 Ge4 C19 119.4(3) . . ?
O8 Ge4 Na1 67.05(17) . . ?
O8 Ge4 C19 105.7(3) . . ?
O9 Ge4 Na1 40.92(19) . . ?
O9 Ge4 O8 105.3(2) . . ?
O9 Ge4 C19 106.1(3) . . ?
C19 Ge4 Na1 102.4(2) . . ?
O5 Ge5 Na1 105.93(17) . . ?
O5 Ge5 O9 110.3(2) . . ?
O5 Ge5 O10 110.9(2) . . ?
O5 Ge5 C25A 113.7(8) . . ?
O5 Ge5 C25 110.7(4) . . ?
O9 Ge5 Na1 45.68(18) . . ?
O9 Ge5 C25A 104.4(6) . . ?
O9 Ge5 C25 115.6(3) . . ?
O10 Ge5 Na1 59.2(2) . . ?
O10 Ge5 O9 100.6(3) . . ?
O10 Ge5 C25A 115.7(8) . . ?
O10 Ge5 C25 108.2(4) . . ?
C25A Ge5 Na1 137.7(7) . . ?
C25 Ge5 Na1 143.3(4) . . ?
O1 Ni1 O1W 90.5(2) . . ?
O1 Ni1 O3 165.89(19) . 3_565 ?
O1W Ni1 O3 91.7(2) . 3_565 ?
O2 Ni1 O1 105.60(19) . . ?
O2 Ni1 O1W 90.5(2) . . ?
O2 Ni1 O3 88.31(18) . 3_565 ?
O5 Ni1 O1 94.1(2) . . ?
O5 Ni1 O1W 167.4(2) . . ?
O5 Ni1 O2 99.46(19) . . ?
O5 Ni1 O3 81.04(18) . 3_565 ?
O2 Ni2 O2W 92.7(2) . . ?
O2 Ni2 O3 84.60(17) . 3_565 ?
O2 Ni2 O3 94.52(18) . . ?
O2 Ni2 O4 90.30(19) . 3_565 ?
O2W Ni2 O3 177.2(2) . 3_565 ?
O2W Ni2 O3 99.3(2) . . ?
O3 Ni2 O3 80.11(19) . 3_565 ?
O4 Ni2 O2W 84.2(2) 3_565 . ?
O4 Ni2 O3 96.58(18) 3_565 3_565 ?
O4 Ni2 O3 173.85(18) 3_565 . ?
O5 Ni2 O2 173.00(19) 3_565 . ?
O5 Ni2 O2W 91.2(2) 3_565 . ?
O5 Ni2 O3 79.11(18) 3_565 . ?
O5 Ni2 O3 91.41(18) 3_565 3_565 ?
O5 Ni2 O4 95.88(19) 3_565 3_565 ?
Ge5 Na1 Ge4 53.28(5) . . ?
O1S Na1 Ge4 160.1(2) . . ?
O1S Na1 Ge5 114.8(2) . . ?
O1S Na1 O7 87.8(2) . . ?
O1S Na1 O9 145.3(3) . . ?
O1S Na1 O10 85.2(2) . . ?
O2S Na1 Ge4 93.1(2) . . ?
O2S Na1 Ge5 146.3(2) . . ?
O2S Na1 O1S 96.5(3) . . ?
O2S Na1 O5S 86.7(4) . . ?
O2S Na1 O7 95.3(3) . . ?
O2S Na1 O9 118.0(3) . . ?
O2S Na1 O10 177.6(3) . . ?
O5S Na1 Ge4 99.0(2) . . ?
O5S Na1 Ge5 99.6(2) . . ?
O5S Na1 O1S 98.9(3) . . ?
O5S Na1 O7 172.8(3) . . ?
O5S Na1 O9 87.6(3) . . ?
O5S Na1 O10 94.7(3) . . ?
O7 Na1 Ge4 73.97(13) . . ?
O7 Na1 Ge5 74.94(14) . . ?
O7 Na1 O10 83.10(19) . . ?
O9 Na1 Ge4 27.94(13) . . ?
O9 Na1 Ge5 30.80(13) . . ?
O9 Na1 O7 85.35(19) . . ?
O9 Na1 O10 60.22(18) . . ?
O10 Na1 Ge4 84.77(13) . . ?
O10 Na1 Ge5 31.51(10) . . ?
Ge1 O1 Ni1 116.7(3) . . ?
C1S O1S Na1 142.7(7) . . ?
Ge2 O2 Ni1 118.1(2) . . ?
Ge2 O2 Ni2 125.0(2) . . ?
Ni1 O2 Ni2 96.24(19) . . ?
C3SA O2S Na1 136.3(14) . . ?
C3SB O2S Na1 123.1(8) . . ?
Ge3 O3 Ni1 123.1(2) . 3_565 ?
Ge3 O3 Ni2 121.2(2) . 3_565 ?
Ge3 O3 Ni2 118.7(2) . . ?
Ni1 O3 Ni2 90.81(17) 3_565 3_565 ?
Ni1 O3 Ni2 96.85(18) 3_565 . ?
Ni2 O3 Ni2 99.89(19) . 3_565 ?
Ge4 O4 Ni2 120.1(2) . 3_565 ?
Ge5 O5 Ni1 130.8(3) . . ?
Ge5 O5 Ni2 125.5(3) . 3_565 ?
Ni1 O5 Ni2 103.0(2) . 3_565 ?
C9SA O5S Na1 114.1(10) . . ?
C9SB O5S Na1 106.0(17) . . ?
Ge1 O6 Ge2 126.3(3) . . ?
Ge2 O7 Na1 120.0(3) . . ?
Ge3 O7 Ge2 123.9(3) . . ?
Ge3 O7 Na1 114.2(2) . . ?
Ge3 O8 Ge4 124.1(3) . . ?
Ge4 O9 Ge5 121.6(3) . . ?
Ge4 O9 Na1 111.1(3) . . ?
Ge5 O9 Na1 103.5(2) . . ?
Ge1 O10 Na1 114.6(3) . . ?
Ge5 O10 Ge1 120.5(3) . . ?
Ge5 O10 Na1 89.2(2) . . ?
C2 C1 Ge1 120.3(7) . . ?
C6 C1 Ge1 120.8(6) . . ?
C6 C1 C2 118.8(8) . . ?
O1S C1S C2S 113.8(10) . . ?
C1 C2 C3 119.4(11) . . ?
C4 C3 C2 120.8(11) . . ?
O2S C3SA C4SA 105(3) . . ?
O2S C3SB C4SB 111.4(6) . . ?
C3 C4 C5 120.4(9) . . ?
C4 C5 C6 120.1(12) . . ?
C5 C6 C1 120.4(10) . . ?
C8 C7 Ge2 121.5(5) . . ?
C12 C7 Ge2 119.4(6) . . ?
C12 C7 C8 119.1(7) . . ?
C9 C8 C7 119.5(7) . . ?
C10 C9 C8 120.6(8) . . ?
O5S C9SA C10S 111.7(8) . . ?
O5S C9SB C10R 91(3) . . ?
C11 C10 C9 119.9(8) . . ?
C12 C11 C10 120.3(9) . . ?
C11 C12 C7 120.6(8) . . ?
C14 C13 Ge3 119.6(6) . . ?
C14 C13 C18 116.5(7) . . ?
C18 C13 Ge3 123.9(6) . . ?
C13 C14 C15 121.2(10) . . ?
C16 C15 C14 120.9(11) . . ?
C15 C16 C17 119.8(9) . . ?
C16 C17 C18 119.3(9) . . ?
C17 C18 C13 122.3(8) . . ?
C20 C19 Ge4 119.7(7) . . ?
C24 C19 Ge4 121.9(6) . . ?
C24 C19 C20 118.2(8) . . ?
C19 C20 C21 120.9(10) . . ?
C22 C21 C20 121.0(11) . . ?
C21 C22 C23 119.3(10) . . ?
C22 C23 C24 121.0(11) . . ?
C19 C24 C23 119.5(10) . . ?
C30A C25A Ge5 121.7(11) . . ?
C30A C25A C26A 120.0 . . ?
C26A C25A Ge5 118.0(11) . . ?
C25A C30A C29A 120.0 . . ?
C30A C29A C28A 120.0 . . ?
C27A C28A C29A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
C27A C26A C25A 120.0 . . ?
C28 C27 C26 120.0 . . ?
C29 C28 C27 120.0 . . ?
C28 C29 C30 120.0 . . ?
C25 C30 C29 120.0 . . ?
C30 C25 Ge5 121.3(5) . . ?
C30 C25 C26 120.0 . . ?
C26 C25 Ge5 118.6(5) . . ?
C25 C26 C27 120.0 . . ?
O3S C5S C6S 114.0(10) . . ?
O4S C7S C8S 113.2(9) . . ?
O6S C11S C12S 112.1(8) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1S H1S O6 0.857(10) 2.02(2) 2.781(8) 147(3) .
O2S H2S O3S 0.851(10) 1.88(5) 2.708(9) 164(15) .
O5S H5S O6S 0.853(10) 1.885(14) 2.736(11) 176(3) .
O3S H3S O1 0.84 1.75 2.577(8) 169.3 2
O4S H4S O4 0.84 1.74 2.574(7) 171.9 .
O6S H6S O4S 0.84 1.89 2.724(9) 172.5 4_676

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT201_kl150               
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s)
RESPONSE: This problem is related to the disorder of Ph groups and EtOH. 
;
_vrf_PLAT341_kl150               
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s)
RESPONSE: This problem is related to the disorder of Ph groups and EtOH. 
;
_vrf_PLAT411_kl150               
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s)
RESPONSE: This problem is related to the disorder of Ph groups and EtOH. 
;
_vrf_PLAT413_kl150               
;
PROBLEM: Short Inter XH3 .. XHn     H3       ..H4SB
RESPONSE: The reason is disorder of ethanol molecules bonded to Na atoms. 
;
_vrf_PLAT420_kl150               
;
PROBLEM:  D-H Without Acceptor
RESPONSE: There are no possible acceptor of H bonds in the vicinity of O2W atom 
due to organic coating (Ph groups).
;
