# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_sn840_150k_le
_database_code_depnum_ccdc_archive 'CCDC 2000686'
loop_
_audit_author_name
_audit_author_address
'Vladislav Komarov'
;Institute of Inorganic Chemstry SB RAS
Russia
;
_audit_update_record             
;
2022-01-09 deposited with the CCDC.	2022-02-02 downloaded from the CCDC.
;
_audit_creation_date             2020-05-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H24 N6 O16 Ru2 Zn, 12(H2 O)'
_chemical_formula_sum            'C24 H48 N6 O28 Ru2 Zn'
_chemical_formula_weight         1136.19
_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'
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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.0341(19)
_cell_length_b                   9.664(2)
_cell_length_c                   12.968(3)
_cell_angle_alpha                71.157(7)
_cell_angle_beta                 72.824(6)
_cell_angle_gamma                73.170(7)
_cell_volume                     999.9(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2426
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.10
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   0.689
_shelx_estimated_absorpt_T_min   0.510
_exptl_absorpt_coefficient_mu    1.448
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5417
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1021 before and 0.0705 after correction.
The Ratio of minimum to maximum transmission is 0.7263.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   
;
The large crystal size was used intentionally due to weak diffraction 
 ability of the sample. The fine-focus X-ray tube with 0.6 mm
 collimator was used to cover the whole crystal. 
 mu*r of ~0.4 is adequate to use the multiscan absorption correction. 
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.887
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             576
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2.00 2.00 -1.00 0.2540
2.00 -2.00 1.00 0.2010
1.00 1.00 2.00 0.3050
-1.00 -2.00 -2.00 0.2370
1.00 -1.00 1.00 0.2110
1.00 2.00 0.00 0.2320
-1.00 -2.00 0.00 0.1910
0.00 2.00 -1.00 0.2260
-2.00 -1.00 -1.00 0.2570
-1.00 2.00 -2.00 0.2340
1.00 -2.00 2.00 0.1830
0.00 -1.00 1.00 0.1720
2.00 2.00 -1.00 0.2040
-2.00 -2.00 1.00 0.1790
1.00 2.00 -2.00 0.2080
-1.00 -2.00 2.00 0.1620
2.00 0.00 1.00 0.2940
-2.00 0.00 -1.00 0.2790
0.00 1.00 -2.00 0.2260
0.00 -1.00 2.00 0.1840
1.00 1.00 -2.00 0.1940
-1.00 -1.00 2.00 0.1670
1.00 0.00 0.00 0.1940
-1.00 0.00 0.00 0.1890
2.00 0.00 -1.00 0.1090
-2.00 0.00 1.00 0.1390
1.00 0.00 -1.00 0.1560
-1.00 0.00 1.00 0.1690
2.00 -1.00 -1.00 0.1510
-2.00 1.00 1.00 0.1660
1.00 -1.00 -2.00 0.1820
-1.00 1.00 2.00 0.2100
2.00 -2.00 -1.00 0.1810
-2.00 2.00 1.00 0.1710
1.00 -2.00 -2.00 0.1590
-1.00 2.00 2.00 0.2100
0.00 2.00 1.00 0.2450

_exptl_crystal_size_max          0.538
_exptl_crystal_size_mid          0.515
_exptl_crystal_size_min          0.278
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0764
_diffrn_reflns_av_unetI/netI     0.0910
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14736
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.877
_diffrn_reflns_theta_min         1.702
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_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_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3730
_reflns_number_total             4747
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.192
_refine_diff_density_min         -2.081
_refine_diff_density_rms         0.205
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         4747
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0608
_refine_ls_restrained_S_all      1.025
_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)+(0.0657P)²+5.2045P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1475
_refine_ls_wR_factor_ref         0.1586
_refine_special_details          
;
H-atoms of OH- and H2O were not explicitly taken into account
 in the refinement. Analysis of O...O short distances suggests
 the following probable H-atom positions:
(*A and *B for disordered ones)
H1    0.71536   0.41144   0.82664 
H2    0.26257   0.64032   0.90724 
H4A   0.61925   0.55090   0.56049 
H4B   0.61224   0.38708   0.59905 
H1W   1.16032   0.32550   0.54707 
H1WA  1.02323   0.28149   0.51957 
H2W   0.83844   0.17498   0.51049 
H2WA  0.99472   0.21865   0.49469 
H2WB  0.98254   0.04677   0.49364 
H3W   0.99119   0.80547   0.68464 
H3WA  0.92798   0.70393   0.80178 
H3WB  0.94170   0.87565   0.78972 
H4W   1.08262  -0.05928   0.87644 
H4WA  0.95272  -0.05219   0.81581 
H4WB  0.96832   0.10822   0.82752 
H5W   0.96155   0.32011   0.70450 
H5WA  0.94297   0.20289   0.80850 
H5WB  0.92341   0.37500   0.81668 
H6W   0.85985   0.49999   0.95207 
H6WA  0.93185   0.44607   0.85176 
H6WB  0.93103   0.61444   0.84286
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid body (RIGU) restrains
 N2, C21, C22, C23, C24, C25, C26
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 N1, C11, C12, C13, C14, C15, C16
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
3.a Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C14(H14), C15(H15), C21(H21), C22(H22), C24(H24), C25(H25)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
_atom_site_attached_hydrogens
Ru1 Ru 0.44154(5) 0.51281(5) 0.76711(4) 0.00876(14) Uani 1 1 d . . . . . .
Zn1 Zn 0.5000 0.5000 1.0000 0.0101(2) Uani 1 2 d S . P . . .
O1 O 0.6156(5) 0.4783(5) 0.8383(3) 0.0107(8) Uani 1 1 d . . . . . 1
O2 O 0.3111(4) 0.5375(5) 0.9186(3) 0.0135(9) Uani 1 1 d . . . . . 1
O3 O 0.1893(5) 0.5444(6) 0.6614(4) 0.0242(10) Uani 1 1 d . . . . . .
O4 O 0.6129(5) 0.4687(5) 0.6241(3) 0.0115(8) Uani 1 1 d . . . . . 2
O11 O 0.5002(5) -0.2680(5) 0.9456(3) 0.0142(8) Uani 1 1 d . . . . . .
O12 O 0.2401(5) -0.1827(5) 0.9466(3) 0.0164(9) Uani 1 1 d . . . . . .
O21 O 0.6226(5) 1.2327(5) 0.5599(3) 0.0163(9) Uani 1 1 d . . . . . .
O22 O 0.3693(5) 1.2949(5) 0.5490(3) 0.0166(9) Uani 1 1 d . . . . . .
N1 N 0.4314(5) 0.2893(5) 0.8315(4) 0.0093(9) Uani 1 1 d . U . . . .
N2 N 0.4587(5) 0.7389(5) 0.7061(4) 0.0083(9) Uani 1 1 d . U . . . .
N3 N 0.2837(6) 0.5390(6) 0.7045(4) 0.0140(10) Uani 1 1 d . . . . . .
C11 C 0.5598(7) 0.1759(7) 0.8216(5) 0.0112(11) Uani 1 1 d . U . . . .
H11 H 0.6615 0.1992 0.7887 0.013 Uiso 1 1 calc R U . . . .
C12 C 0.5487(7) 0.0282(7) 0.8575(4) 0.0116(11) Uani 1 1 d . U . . . .
H12 H 0.6414 -0.0489 0.8504 0.014 Uiso 1 1 calc R U . . . .
C13 C 0.3990(7) -0.0074(7) 0.9046(5) 0.0121(11) Uani 1 1 d . U . . . .
C14 C 0.2688(7) 0.1080(7) 0.9187(5) 0.0154(12) Uani 1 1 d . U . . . .
H14 H 0.1661 0.0874 0.9523 0.018 Uiso 1 1 calc R U . . . .
C15 C 0.2891(7) 0.2544(7) 0.8834(5) 0.0148(12) Uani 1 1 d . U . . . .
H15 H 0.1995 0.3326 0.8964 0.018 Uiso 1 1 calc R U . . . .
C16 C 0.3784(7) -0.1666(7) 0.9358(4) 0.0136(11) Uani 1 1 d . U . . . .
C21 C 0.5989(7) 0.7784(7) 0.6808(5) 0.0134(11) Uani 1 1 d . U . . . .
H21 H 0.6907 0.7029 0.6940 0.016 Uiso 1 1 calc R U . . . .
C22 C 0.6133(7) 0.9253(7) 0.6361(5) 0.0118(11) Uani 1 1 d . U . . . .
H22 H 0.7145 0.9493 0.6169 0.014 Uiso 1 1 calc R U . . . .
C23 C 0.4803(7) 1.0381(7) 0.6192(4) 0.0113(11) Uani 1 1 d . U . . . .
C24 C 0.3348(7) 0.9976(7) 0.6474(4) 0.0114(11) Uani 1 1 d . U . . . .
H24 H 0.2410 1.0719 0.6375 0.014 Uiso 1 1 calc R U . . . .
C25 C 0.3282(7) 0.8482(7) 0.6900(5) 0.0126(11) Uani 1 1 d . U . . . .
H25 H 0.2286 0.8213 0.7087 0.015 Uiso 1 1 calc R U . . . .
C26 C 0.4923(7) 1.2019(7) 0.5708(5) 0.0129(11) Uani 1 1 d . U . . . .
O1W O -0.0509(5) 0.6527(6) 0.4518(4) 0.0270(11) Uani 1 1 d . . . . . 2
O2W O 0.0516(6) 0.8475(6) 0.5202(4) 0.0271(11) Uani 1 1 d . . . . . 2
O3W O -0.0688(6) 0.8038(6) 0.7577(4) 0.0315(12) Uani 1 1 d . . . . . 2
O4W O -0.0048(5) 1.0017(6) 0.8455(4) 0.0267(11) Uani 1 1 d . . . . . 2
O5W O -0.0893(5) 0.3067(6) 0.7818(4) 0.0247(10) Uani 1 1 d . . . . . 2
O6W O -0.0589(5) 0.5133(6) 0.8874(4) 0.0268(11) Uani 1 1 d . . . . . 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
Ru1 O1 1.947(4) . ?
Ru1 O2 2.019(4) . ?
Ru1 O4 2.110(4) . ?
Ru1 N1 2.068(5) . ?
Ru1 N2 2.105(5) . ?
Ru1 N3 1.761(5) . ?
Zn1 O1 2.097(4) 2_667 ?
Zn1 O1 2.097(4) . ?
Zn1 O2 2.149(4) . ?
Zn1 O2 2.149(4) 2_667 ?
Zn1 O11 2.123(4) 1_565 ?
Zn1 O11 2.123(4) 2_657 ?
O3 N3 1.131(6) . ?
O11 Zn1 2.123(4) 1_545 ?
O11 C16 1.251(7) . ?
O12 C16 1.265(7) . ?
O21 C26 1.253(7) . ?
O22 C26 1.251(7) . ?
N1 C11 1.353(7) . ?
N1 C15 1.347(7) . ?
N2 C21 1.347(7) . ?
N2 C25 1.353(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.375(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.402(8) . ?
C13 C14 1.380(8) . ?
C13 C16 1.511(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.388(8) . ?
C15 H15 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.377(8) . ?
C22 H22 0.9500 . ?
C22 C23 1.387(8) . ?
C23 C24 1.391(8) . ?
C23 C26 1.526(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.381(8) . ?
C25 H25 0.9500 . ?

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 Ru1 O2 81.92(16) . . ?
O1 Ru1 O4 87.85(16) . . ?
O1 Ru1 N1 89.98(17) . . ?
O1 Ru1 N2 87.55(17) . . ?
O2 Ru1 O4 169.39(15) . . ?
O2 Ru1 N1 85.69(18) . . ?
O2 Ru1 N2 93.51(18) . . ?
N1 Ru1 O4 91.52(17) . . ?
N1 Ru1 N2 177.50(18) . . ?
N2 Ru1 O4 88.84(17) . . ?
N3 Ru1 O1 178.4(2) . . ?
N3 Ru1 O2 97.84(19) . . ?
N3 Ru1 O4 92.31(19) . . ?
N3 Ru1 N1 88.5(2) . . ?
N3 Ru1 N2 94.0(2) . . ?
O1 Zn1 O1 180.0 2_667 . ?
O1 Zn1 O2 104.49(15) 2_667 . ?
O1 Zn1 O2 75.51(15) 2_667 2_667 ?
O1 Zn1 O2 75.51(15) . . ?
O1 Zn1 O2 104.49(15) . 2_667 ?
O1 Zn1 O11 89.97(15) 2_667 1_565 ?
O1 Zn1 O11 90.03(15) . 1_565 ?
O1 Zn1 O11 90.03(15) 2_667 2_657 ?
O1 Zn1 O11 89.97(15) . 2_657 ?
O2 Zn1 O2 180.0 2_667 . ?
O11 Zn1 O2 90.60(16) 2_657 2_667 ?
O11 Zn1 O2 89.40(16) 1_565 2_667 ?
O11 Zn1 O2 89.40(16) 2_657 . ?
O11 Zn1 O2 90.60(16) 1_565 . ?
O11 Zn1 O11 180.0 2_657 1_565 ?
Ru1 O1 Zn1 103.40(18) . . ?
Ru1 O2 Zn1 99.17(15) . . ?
C16 O11 Zn1 124.0(4) . 1_545 ?
C11 N1 Ru1 123.4(4) . . ?
C15 N1 Ru1 118.4(4) . . ?
C15 N1 C11 118.1(5) . . ?
C21 N2 Ru1 121.2(4) . . ?
C21 N2 C25 118.3(5) . . ?
C25 N2 Ru1 120.4(4) . . ?
O3 N3 Ru1 173.9(5) . . ?
N1 C11 H11 118.8 . . ?
N1 C11 C12 122.4(5) . . ?
C12 C11 H11 118.8 . . ?
C11 C12 H12 120.4 . . ?
C11 C12 C13 119.3(5) . . ?
C13 C12 H12 120.4 . . ?
C12 C13 C16 121.4(5) . . ?
C14 C13 C12 118.2(5) . . ?
C14 C13 C16 120.4(5) . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C15 119.5(5) . . ?
C15 C14 H14 120.3 . . ?
N1 C15 C14 122.3(6) . . ?
N1 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
O11 C16 O12 127.0(6) . . ?
O11 C16 C13 116.7(5) . . ?
O12 C16 C13 116.3(5) . . ?
N2 C21 H21 119.0 . . ?
N2 C21 C22 121.9(5) . . ?
C22 C21 H21 119.0 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.1(5) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 118.0(5) . . ?
C22 C23 C26 121.3(5) . . ?
C24 C23 C26 120.7(5) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 C23 119.3(5) . . ?
C25 C24 H24 120.4 . . ?
N2 C25 C24 122.3(5) . . ?
N2 C25 H25 118.8 . . ?
C24 C25 H25 118.8 . . ?
O21 C26 C23 117.5(5) . . ?
O22 C26 O21 125.5(6) . . ?
O22 C26 C23 117.0(5) . . ?

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
Ru1 N1 C11 C12 -174.9(4) . . . . ?
Ru1 N1 C15 C14 173.2(4) . . . . ?
Ru1 N2 C21 C22 177.1(4) . . . . ?
Ru1 N2 C25 C24 -178.3(4) . . . . ?
Zn1 O11 C16 O12 -6.4(8) 1_545 . . . ?
Zn1 O11 C16 C13 175.4(3) 1_545 . . . ?
N1 C11 C12 C13 0.9(8) . . . . ?
N2 C21 C22 C23 2.0(8) . . . . ?
C11 N1 C15 C14 -5.2(8) . . . . ?
C11 C12 C13 C14 -3.5(8) . . . . ?
C11 C12 C13 C16 174.4(5) . . . . ?
C12 C13 C14 C15 1.7(8) . . . . ?
C12 C13 C16 O11 18.2(8) . . . . ?
C12 C13 C16 O12 -160.2(5) . . . . ?
C13 C14 C15 N1 2.7(9) . . . . ?
C14 C13 C16 O11 -163.9(5) . . . . ?
C14 C13 C16 O12 17.6(8) . . . . ?
C15 N1 C11 C12 3.4(8) . . . . ?
C16 C13 C14 C15 -176.2(5) . . . . ?
C21 N2 C25 C24 0.9(8) . . . . ?
C21 C22 C23 C24 -0.6(8) . . . . ?
C21 C22 C23 C26 179.4(5) . . . . ?
C22 C23 C24 C25 -0.5(8) . . . . ?
C22 C23 C26 O21 -8.6(8) . . . . ?
C22 C23 C26 O22 173.8(5) . . . . ?
C23 C24 C25 N2 0.4(8) . . . . ?
C24 C23 C26 O21 171.5(5) . . . . ?
C24 C23 C26 O22 -6.1(8) . . . . ?
C25 N2 C21 C22 -2.1(8) . . . . ?
C26 C23 C24 C25 179.4(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT975_sn840_150k_le       
;
PROBLEM: Check Calcd Resid. Dens.  0.73A   From O2              2.40 eA-3  
RESPONSE: The largest residual peaks are artifacts, apparently due to
 poor sample quality. Few of the peaks less than 1.0eA-3 are due to
 electron density of H2O or OH hydrogen atoms.
 Existence of unrecognized minor alternative occupancy of {Ru} moiety
 cannot be ruled out.
 No twinning model was found.
;
_vrf_PLAT043_sn840_150k_le       
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      32.23 Check 
RESPONSE: Due to H-atoms, implicitly denoted via
 _atom_site_attached_hydrogens. A probable explicit location was provided
 in the _refine_special_details section.
;
_vrf_PLAT306_sn840_150k_le       
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O1W Check 
RESPONSE: H-atoms denoted via _atom_site_attached_hydrogens 
;
_vrf_PLAT430_sn840_150k_le       
;
PROBLEM: Short Inter D...A Contact  O1       ..O5W      .       2.73 Ang.  
RESPONSE: H-atoms denoted via _atom_site_attached_hydrogens 
;
_vrf_PLAT971_sn840_150k_le       
;
PROBLEM: Check Calcd Resid. Dens.  1.79A   From O4              3.14 eA-3  
RESPONSE: An artifact due to poor data quality (PLAT975_sn840_150k_le). 
;
# end Validation Reply Form
