# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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. 
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#######################################################################

data_FO6877_4
_database_code_depnum_ccdc_archive 'CCDC 2484790'
loop_
_audit_author_name
_audit_author_address
'Helmar Goerls'
;University Jena
Germany
;
_audit_update_record             
;
2025-09-02 deposited with the CCDC.	2025-12-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C28 H26 Cl4 Mn Mo6 N4 O24 Pt2, 2(C16 H36 N) [+ solvent]'
_chemical_formula_sum            'C60 H98 Cl4 Mn Mo6 N6 O24 Pt2'
_chemical_formula_weight         2450.00

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

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                   30.8643(5)
_cell_length_b                   17.6137(3)
_cell_length_c                   23.0669(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.059(1)
_cell_angle_gamma                90
_cell_volume                     12307.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    36614
_cell_measurement_theta_min      2.136
_cell_measurement_theta_max      27.485

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_F_000             4772
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.062
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.058
_exptl_absorpt_coefficient_mu    3.087
_shelx_estimated_absorpt_T_min   0.832
_shelx_estimated_absorpt_T_max   0.841
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5120
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi- + omega-scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36614
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.136
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             14048
_reflns_number_gt                11325
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       COLLECT
_computing_cell_refinement       DENZO
_computing_data_reduction        DENZO
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0304P)²+83.0532P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14048
_refine_ls_number_parameters     426
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0459
_refine_ls_wR_factor_ref         0.1058
_refine_ls_wR_factor_gt          0.0983
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.002
_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_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
Pt1 Pt 0.53631(2) 0.94002(2) 0.55080(2) 0.04595(7) Uani 1 1 d . . . . .
Mn1 Mn 0.250000 0.750000 0.500000 0.0353(2) Uani 1 2 d S . P . .
Mo1 Mo 0.25953(2) 0.75140(3) 0.64723(2) 0.04536(12) Uani 1 1 d . . . . .
Mo2 Mo 0.28999(2) 0.59662(3) 0.58050(2) 0.04580(12) Uani 1 1 d . . . . .
Mo3 Mo 0.28099(2) 0.59601(3) 0.43301(2) 0.04490(12) Uani 1 1 d . . . . .
Cl1 Cl 0.60866(5) 0.97377(10) 0.55498(7) 0.0644(4) Uani 1 1 d . . . . .
Cl2 Cl 0.53468(5) 1.01861(10) 0.62950(7) 0.0659(4) Uani 1 1 d . . . . .
O1 O 0.29788(11) 0.7304(2) 0.57073(14) 0.0408(8) Uani 1 1 d . . . . .
O2 O 0.26331(11) 0.8632(2) 0.50137(13) 0.0395(8) Uani 1 1 d . . . . .
O3 O 0.28873(11) 0.73095(19) 0.44629(13) 0.0374(7) Uani 1 1 d . . . . .
O4 O 0.30611(14) 0.7473(2) 0.69995(15) 0.0607(11) Uani 1 1 d . . . . .
O5 O 0.21748(15) 0.7587(2) 0.68413(16) 0.0617(11) Uani 1 1 d . . . . .
O6 O 0.25017(12) 0.6474(2) 0.62183(14) 0.0442(8) Uani 1 1 d . . . . .
O7 O 0.33731(15) 0.5922(3) 0.63262(18) 0.0675(12) Uani 1 1 d . . . . .
O8 O 0.26816(16) 0.5076(2) 0.57736(19) 0.0639(11) Uani 1 1 d . . . . .
O9 O 0.31617(12) 0.5999(2) 0.51148(15) 0.0471(9) Uani 1 1 d . . . . .
O10 O 0.26136(15) 0.5059(2) 0.42868(18) 0.0606(11) Uani 1 1 d . . . . .
O11 O 0.23534(12) 0.6454(2) 0.37828(14) 0.0455(9) Uani 1 1 d . . . . .
O12 O 0.32305(14) 0.5956(3) 0.39500(18) 0.0610(11) Uani 1 1 d . . . . .
N1 N 0.47331(14) 0.9030(3) 0.54332(19) 0.0436(10) Uani 1 1 d . . . . .
N2 N 0.53324(16) 0.8706(3) 0.4814(2) 0.0551(12) Uani 1 1 d . . . . .
C1 C 0.33941(17) 0.7656(3) 0.5706(2) 0.0441(12) Uani 1 1 d . . . . .
H1A H 0.362339 0.725710 0.573734 0.053 Uiso 1 1 calc R U . . .
H1B H 0.346925 0.798487 0.605873 0.053 Uiso 1 1 calc R U . . .
C2 C 0.30907(17) 0.8834(3) 0.5083(2) 0.0433(12) Uani 1 1 d . . . . .
H2A H 0.317160 0.915834 0.543843 0.052 Uiso 1 1 calc R U . . .
H2B H 0.313282 0.913822 0.473750 0.052 Uiso 1 1 calc R U . . .
C3 C 0.33189(16) 0.7641(3) 0.4586(2) 0.0397(11) Uani 1 1 d . . . . .
H3A H 0.335897 0.795229 0.424259 0.048 Uiso 1 1 calc R U . . .
H3B H 0.354113 0.722863 0.463232 0.048 Uiso 1 1 calc R U . . .
C4 C 0.34062(17) 0.8143(3) 0.5146(2) 0.0415(11) Uani 1 1 d . . . . .
C5 C 0.44564(19) 0.9243(3) 0.5773(2) 0.0503(14) Uani 1 1 d . . . . .
H5A H 0.455247 0.959459 0.608370 0.060 Uiso 1 1 calc R U . . .
C6 C 0.40294(18) 0.8965(3) 0.5687(2) 0.0460(12) Uani 1 1 d . . . . .
H6A H 0.383634 0.912739 0.593744 0.055 Uiso 1 1 calc R U . . .
C7 C 0.38811(17) 0.8450(3) 0.5235(2) 0.0423(12) Uani 1 1 d . . . . .
C8 C 0.41763(16) 0.8250(3) 0.4884(2) 0.0419(12) Uani 1 1 d . . . . .
H8A H 0.408695 0.790793 0.456522 0.050 Uiso 1 1 calc R U . . .
C9 C 0.45998(17) 0.8538(3) 0.4987(2) 0.0439(12) Uani 1 1 d . . . . .
C10 C 0.4933(2) 0.8350(3) 0.4641(3) 0.0541(14) Uani 1 1 d . . . . .
C11 C 0.4867(2) 0.7843(4) 0.4175(3) 0.0683(18) Uani 1 1 d . . . . .
H11A H 0.459214 0.758927 0.406489 0.082 Uiso 1 1 calc R U . . .
C12 C 0.5206(3) 0.7706(6) 0.3869(4) 0.094(3) Uani 1 1 d . . . . .
H12A H 0.516780 0.735417 0.355132 0.113 Uiso 1 1 calc R U . . .
C13 C 0.5598(3) 0.8090(6) 0.4038(4) 0.100(3) Uani 1 1 d . . . . .
H13A H 0.583271 0.801852 0.383070 0.120 Uiso 1 1 calc R U . . .
C14 C 0.5645(2) 0.8591(5) 0.4521(3) 0.073(2) Uani 1 1 d . . . . .
H14A H 0.591616 0.885489 0.463612 0.087 Uiso 1 1 calc R U . . .
N3 N 0.19675(17) 0.4866(3) 0.7277(2) 0.0587(13) Uani 1 1 d . . . . .
C15 C 0.2348(2) 0.5097(4) 0.7760(3) 0.071(2) Uani 1 1 d . . . . .
H15A H 0.248814 0.463072 0.794970 0.086 Uiso 1 1 calc R U . . .
H15B H 0.222802 0.538237 0.806327 0.086 Uiso 1 1 calc R U . . .
C16 C 0.2702(3) 0.5576(5) 0.7567(3) 0.0842(11) Uani 1 1 d . . . . .
H16A H 0.257812 0.607412 0.742020 0.101 Uiso 1 1 calc R U . . .
H16B H 0.281249 0.531934 0.724155 0.101 Uiso 1 1 calc R U . . .
C17 C 0.3093(3) 0.5696(6) 0.8107(4) 0.0989(14) Uani 1 1 d . . . . .
H17A H 0.297699 0.594276 0.843155 0.119 Uiso 0.886(13) 1 calc R U P A 1
H17B H 0.321253 0.519431 0.825040 0.119 Uiso 0.886(13) 1 calc R U P A 1
H17C H 0.311622 0.526243 0.838416 0.119 Uiso 0.114(13) 1 calc R U P A 2
H17D H 0.337741 0.575574 0.797319 0.119 Uiso 0.114(13) 1 calc R U P A 2
C18 C 0.3457(5) 0.6167(8) 0.7963(6) 0.149(3) Uani 0.886(13) 1 d . . P A 1
H18A H 0.368954 0.622104 0.831501 0.223 Uiso 0.886(13) 1 calc R U P A 1
H18B H 0.357900 0.592050 0.764821 0.223 Uiso 0.886(13) 1 calc R U P A 1
H18C H 0.334329 0.666946 0.782948 0.223 Uiso 0.886(13) 1 calc R U P A 1
C18A C 0.298(4) 0.639(6) 0.838(5) 0.149(3) Uani 0.114(13) 1 d . . P A 2
H18D H 0.320551 0.650631 0.872922 0.223 Uiso 0.114(13) 1 calc R U P A 2
H18E H 0.295243 0.680854 0.810069 0.223 Uiso 0.114(13) 1 calc R U P A 2
H18F H 0.269303 0.631863 0.850882 0.223 Uiso 0.114(13) 1 calc R U P A 2
C19 C 0.1729(2) 0.5557(4) 0.6981(2) 0.0612(16) Uani 1 1 d . . . . .
H19A H 0.194099 0.585311 0.679965 0.073 Uiso 1 1 calc R U . . .
H19B H 0.149273 0.537964 0.665682 0.073 Uiso 1 1 calc R U . . .
C20 C 0.1525(3) 0.6085(5) 0.7370(3) 0.0842(11) Uani 1 1 d . . . . .
H20A H 0.134097 0.578596 0.759408 0.101 Uiso 1 1 calc R U . . .
H20B H 0.176199 0.633190 0.765747 0.101 Uiso 1 1 calc R U . . .
C21 C 0.1244(3) 0.6687(5) 0.7019(4) 0.0989(14) Uani 1 1 d D . . . .
H21A H 0.105597 0.644220 0.667363 0.119 Uiso 0.60(5) 1 calc R U P B 1
H21B H 0.144060 0.704881 0.686751 0.119 Uiso 0.60(5) 1 calc R U P B 1
H21C H 0.095500 0.646540 0.683649 0.119 Uiso 0.40(5) 1 calc R U P B 2
H21D H 0.138946 0.686709 0.669808 0.119 Uiso 0.40(5) 1 calc R U P B 2
C22 C 0.0949(11) 0.7130(18) 0.7349(10) 0.149(3) Uani 0.60(5) 1 d D . P B 1
H22A H 0.078063 0.750581 0.708422 0.223 Uiso 0.60(5) 1 calc R U P B 1
H22B H 0.074497 0.678198 0.749178 0.223 Uiso 0.60(5) 1 calc R U P B 1
H22C H 0.113065 0.739023 0.768618 0.223 Uiso 0.60(5) 1 calc R U P B 1
C22A C 0.117(2) 0.735(2) 0.7404(15) 0.149(3) Uani 0.40(5) 1 d . . P B 2
H22D H 0.098662 0.773244 0.716242 0.223 Uiso 0.40(5) 1 calc R U P B 2
H22E H 0.102145 0.717573 0.771774 0.223 Uiso 0.40(5) 1 calc R U P B 2
H22F H 0.145559 0.757713 0.757944 0.223 Uiso 0.40(5) 1 calc R U P B 2
C23 C 0.2109(2) 0.4421(4) 0.6788(3) 0.0639(17) Uani 1 1 d . . . . .
H23A H 0.229829 0.474956 0.659290 0.077 Uiso 1 1 calc R U . . .
H23B H 0.184285 0.429315 0.649006 0.077 Uiso 1 1 calc R U . . .
C24 C 0.2357(3) 0.3695(5) 0.6981(3) 0.0842(11) Uani 1 1 d . . . . .
H24A H 0.218747 0.337966 0.721430 0.101 Uiso 1 1 calc R U . . .
H24B H 0.264736 0.381378 0.723077 0.101 Uiso 1 1 calc R U . . .
C25 C 0.2421(3) 0.3266(5) 0.6424(4) 0.0989(14) Uani 1 1 d . . . . .
H25A H 0.212792 0.313739 0.618511 0.119 Uiso 1 1 calc R U . . .
H25B H 0.257427 0.359972 0.618321 0.119 Uiso 1 1 calc R U . . .
C26 C 0.2687(4) 0.2540(7) 0.6574(5) 0.149(3) Uani 1 1 d . . . . .
H26A H 0.297903 0.266604 0.680546 0.223 Uiso 1 1 calc R U . . .
H26B H 0.272141 0.228375 0.620862 0.223 Uiso 1 1 calc R U . . .
H26C H 0.253276 0.220340 0.680533 0.223 Uiso 1 1 calc R U . . .
C27 C 0.1672(2) 0.4393(4) 0.7595(3) 0.0625(17) Uani 1 1 d . . . . .
H27A H 0.185319 0.398584 0.781739 0.075 Uiso 1 1 calc R U . . .
H27B H 0.156473 0.472131 0.788537 0.075 Uiso 1 1 calc R U . . .
C28 C 0.1276(3) 0.4031(5) 0.7199(3) 0.0842(11) Uani 1 1 d . . . . .
H28A H 0.111111 0.442091 0.693612 0.101 Uiso 1 1 calc R U . . .
H28B H 0.137735 0.363737 0.694857 0.101 Uiso 1 1 calc R U . . .
C29 C 0.0978(3) 0.3676(6) 0.7571(4) 0.0989(14) Uani 1 1 d D . . . .
H29A H 0.086237 0.407984 0.779845 0.119 Uiso 0.676(13) 1 calc R U P C 1
H29B H 0.115289 0.332170 0.785668 0.119 Uiso 0.676(13) 1 calc R U P C 1
H29C H 0.115839 0.354832 0.796129 0.119 Uiso 0.324(13) 1 calc R U P C 2
H29D H 0.086163 0.319420 0.738162 0.119 Uiso 0.324(13) 1 calc R U P C 2
C30 C 0.0594(5) 0.3251(9) 0.7208(7) 0.149(3) Uani 0.676(13) 1 d D . P C 1
H30A H 0.041232 0.303362 0.747102 0.223 Uiso 0.676(13) 1 calc R U P C 1
H30B H 0.041564 0.360160 0.693038 0.223 Uiso 0.676(13) 1 calc R U P C 1
H30C H 0.070627 0.284316 0.698863 0.223 Uiso 0.676(13) 1 calc R U P C 1
C30A C 0.0592(9) 0.4153(17) 0.7668(16) 0.149(3) Uani 0.324(13) 1 d D . P C 2
H30D H 0.042064 0.387223 0.791376 0.223 Uiso 0.324(13) 1 calc R U P C 2
H30E H 0.070115 0.462653 0.786790 0.223 Uiso 0.324(13) 1 calc R U P C 2
H30F H 0.040352 0.427136 0.728652 0.223 Uiso 0.324(13) 1 calc R U P C 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
Pt1 N2 2.001(5) . ?
Pt1 N1 2.027(4) . ?
Pt1 Cl2 2.2913(17) . ?
Pt1 Cl1 2.2948(15) . ?
Mn1 O3 1.909(3) 7_566 ?
Mn1 O3 1.909(3) . ?
Mn1 O1 2.010(3) 7_566 ?
Mn1 O1 2.010(3) . ?
Mn1 O2 2.035(3) 7_566 ?
Mn1 O2 2.035(3) . ?
Mo1 O5 1.688(4) . ?
Mo1 O4 1.697(4) . ?
Mo1 O11 1.926(4) 7_566 ?
Mo1 O6 1.927(3) . ?
Mo1 O1 2.335(3) . ?
Mo1 O3 2.395(3) 7_566 ?
Mo2 O8 1.702(4) . ?
Mo2 O7 1.706(4) . ?
Mo2 O6 1.916(4) . ?
Mo2 O9 1.920(4) . ?
Mo2 O2 2.362(3) 7_566 ?
Mo2 O1 2.384(3) . ?
Mo3 O10 1.695(4) . ?
Mo3 O12 1.700(4) . ?
Mo3 O11 1.911(4) . ?
Mo3 O9 1.925(4) . ?
Mo3 O2 2.339(3) 7_566 ?
Mo3 O3 2.402(3) . ?
O1 C1 1.425(6) . ?
O2 C2 1.435(6) . ?
O3 C3 1.432(5) . ?
N1 C5 1.320(7) . ?
N1 C9 1.348(6) . ?
N2 C14 1.297(8) . ?
N2 C10 1.371(7) . ?
C1 C4 1.557(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C4 1.549(8) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.546(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C7 1.539(7) . ?
C5 C6 1.384(7) . ?
C5 H5A 0.9500 . ?
C6 C7 1.392(7) . ?
C6 H6A 0.9500 . ?
C7 C8 1.376(7) . ?
C8 C9 1.379(7) . ?
C8 H8A 0.9500 . ?
C9 C10 1.456(8) . ?
C10 C11 1.383(8) . ?
C11 C12 1.390(10) . ?
C11 H11A 0.9500 . ?
C12 C13 1.375(11) . ?
C12 H12A 0.9500 . ?
C13 C14 1.407(10) . ?
C13 H13A 0.9500 . ?
C14 H14A 0.9500 . ?
N3 C23 1.505(8) . ?
N3 C15 1.511(8) . ?
N3 C19 1.516(7) . ?
N3 C27 1.521(7) . ?
C15 C16 1.515(10) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.574(11) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.484(15) . ?
C17 C18A 1.45(11) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 H17C 0.9900 . ?
C17 H17D 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19 C20 1.512(10) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.502(11) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.511(2) . ?
C21 C22A 1.51(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 H21C 0.9900 . ?
C21 H21D 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22A H22D 0.9800 . ?
C22A H22E 0.9800 . ?
C22A H22F 0.9800 . ?
C23 C24 1.513(10) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.535(11) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.525(13) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.519(10) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.509(11) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30A 1.510(2) . ?
C29 C30 1.510(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 H29C 0.9900 . ?
C29 H29D 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30A H30D 0.9800 . ?
C30A H30E 0.9800 . ?
C30A H30F 0.9800 . ?

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
N2 Pt1 N1 80.66(19) . . ?
N2 Pt1 Cl2 176.07(14) . . ?
N1 Pt1 Cl2 95.48(14) . . ?
N2 Pt1 Cl1 95.07(14) . . ?
N1 Pt1 Cl1 175.47(14) . . ?
Cl2 Pt1 Cl1 88.81(6) . . ?
O3 Mn1 O3 180.0 7_566 . ?
O3 Mn1 O1 92.42(14) 7_566 7_566 ?
O3 Mn1 O1 87.58(14) . 7_566 ?
O3 Mn1 O1 87.58(14) 7_566 . ?
O3 Mn1 O1 92.42(14) . . ?
O1 Mn1 O1 180.0 7_566 . ?
O3 Mn1 O2 91.87(13) 7_566 7_566 ?
O3 Mn1 O2 88.13(13) . 7_566 ?
O1 Mn1 O2 92.35(13) 7_566 7_566 ?
O1 Mn1 O2 87.65(13) . 7_566 ?
O3 Mn1 O2 88.13(13) 7_566 . ?
O3 Mn1 O2 91.87(13) . . ?
O1 Mn1 O2 87.65(13) 7_566 . ?
O1 Mn1 O2 92.35(13) . . ?
O2 Mn1 O2 180.00(4) 7_566 . ?
O5 Mo1 O4 105.6(2) . . ?
O5 Mo1 O11 101.45(19) . 7_566 ?
O4 Mo1 O11 98.71(18) . 7_566 ?
O5 Mo1 O6 98.07(17) . . ?
O4 Mo1 O6 103.55(19) . . ?
O11 Mo1 O6 145.06(13) 7_566 . ?
O5 Mo1 O1 160.61(16) . . ?
O4 Mo1 O1 92.99(17) . . ?
O11 Mo1 O1 80.54(13) 7_566 . ?
O6 Mo1 O1 71.81(13) . . ?
O5 Mo1 O3 92.22(16) . 7_566 ?
O4 Mo1 O3 161.07(16) . 7_566 ?
O11 Mo1 O3 71.07(12) 7_566 7_566 ?
O6 Mo1 O3 79.53(13) . 7_566 ?
O1 Mo1 O3 69.98(11) . 7_566 ?
O8 Mo2 O7 105.4(2) . . ?
O8 Mo2 O6 99.50(18) . . ?
O7 Mo2 O6 102.41(19) . . ?
O8 Mo2 O9 102.62(18) . . ?
O7 Mo2 O9 98.40(19) . . ?
O6 Mo2 O9 144.20(15) . . ?
O8 Mo2 O2 91.86(17) . 7_566 ?
O7 Mo2 O2 161.39(17) . 7_566 ?
O6 Mo2 O2 80.97(13) . 7_566 ?
O9 Mo2 O2 70.57(13) . 7_566 ?
O8 Mo2 O1 162.35(18) . . ?
O7 Mo2 O1 91.30(18) . . ?
O6 Mo2 O1 70.86(13) . . ?
O9 Mo2 O1 79.93(14) . . ?
O2 Mo2 O1 72.34(11) 7_566 . ?
O10 Mo3 O12 105.4(2) . . ?
O10 Mo3 O11 100.22(18) . . ?
O12 Mo3 O11 101.57(19) . . ?
O10 Mo3 O9 102.66(18) . . ?
O12 Mo3 O9 97.84(18) . . ?
O11 Mo3 O9 144.71(15) . . ?
O10 Mo3 O2 94.52(16) . 7_566 ?
O12 Mo3 O2 159.10(16) . 7_566 ?
O11 Mo3 O2 80.75(13) . 7_566 ?
O9 Mo3 O2 71.03(13) . 7_566 ?
O10 Mo3 O3 163.65(17) . . ?
O12 Mo3 O3 90.20(17) . . ?
O11 Mo3 O3 71.13(13) . . ?
O9 Mo3 O3 79.68(13) . . ?
O2 Mo3 O3 70.73(11) 7_566 . ?
C1 O1 Mn1 116.4(3) . . ?
C1 O1 Mo1 121.3(3) . . ?
Mn1 O1 Mo1 100.71(14) . . ?
C1 O1 Mo2 122.6(3) . . ?
Mn1 O1 Mo2 100.03(13) . . ?
Mo1 O1 Mo2 90.54(11) . . ?
C2 O2 Mn1 115.9(3) . . ?
C2 O2 Mo3 122.4(3) . 7_566 ?
Mn1 O2 Mo3 99.76(13) . 7_566 ?
C2 O2 Mo2 122.3(3) . 7_566 ?
Mn1 O2 Mo2 99.99(12) . 7_566 ?
Mo3 O2 Mo2 91.24(12) 7_566 7_566 ?
C3 O3 Mn1 118.3(3) . . ?
C3 O3 Mo1 121.3(3) . 7_566 ?
Mn1 O3 Mo1 101.72(14) . 7_566 ?
C3 O3 Mo3 119.6(3) . . ?
Mn1 O3 Mo3 101.38(13) . . ?
Mo1 O3 Mo3 89.09(10) 7_566 . ?
Mo2 O6 Mo1 121.48(17) . . ?
Mo2 O9 Mo3 121.84(19) . . ?
Mo3 O11 Mo1 122.55(18) . 7_566 ?
C5 N1 C9 120.0(4) . . ?
C5 N1 Pt1 125.2(4) . . ?
C9 N1 Pt1 114.8(4) . . ?
C14 N2 C10 119.5(5) . . ?
C14 N2 Pt1 126.0(4) . . ?
C10 N2 Pt1 114.5(4) . . ?
O1 C1 C4 114.0(4) . . ?
O1 C1 H1A 108.7 . . ?
C4 C1 H1A 108.7 . . ?
O1 C1 H1B 108.7 . . ?
C4 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
O2 C2 C4 113.8(4) . . ?
O2 C2 H2A 108.8 . . ?
C4 C2 H2A 108.8 . . ?
O2 C2 H2B 108.8 . . ?
C4 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
O3 C3 C4 113.9(4) . . ?
O3 C3 H3A 108.8 . . ?
C4 C3 H3A 108.8 . . ?
O3 C3 H3B 108.8 . . ?
C4 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C7 C4 C3 108.8(4) . . ?
C7 C4 C2 107.5(4) . . ?
C3 C4 C2 111.5(4) . . ?
C7 C4 C1 104.9(4) . . ?
C3 C4 C1 110.5(4) . . ?
C2 C4 C1 113.3(4) . . ?
N1 C5 C6 121.4(5) . . ?
N1 C5 H5A 119.3 . . ?
C6 C5 H5A 119.3 . . ?
C5 C6 C7 120.4(5) . . ?
C5 C6 H6A 119.8 . . ?
C7 C6 H6A 119.8 . . ?
C8 C7 C6 116.6(5) . . ?
C8 C7 C4 123.5(4) . . ?
C6 C7 C4 119.8(5) . . ?
C7 C8 C9 121.2(5) . . ?
C7 C8 H8A 119.4 . . ?
C9 C8 H8A 119.4 . . ?
N1 C9 C8 120.5(5) . . ?
N1 C9 C10 114.8(5) . . ?
C8 C9 C10 124.7(5) . . ?
N2 C10 C11 120.8(6) . . ?
N2 C10 C9 115.3(5) . . ?
C11 C10 C9 123.9(6) . . ?
C10 C11 C12 119.6(7) . . ?
C10 C11 H11A 120.2 . . ?
C12 C11 H11A 120.2 . . ?
C13 C12 C11 118.5(7) . . ?
C13 C12 H12A 120.7 . . ?
C11 C12 H12A 120.7 . . ?
C12 C13 C14 119.0(7) . . ?
C12 C13 H13A 120.5 . . ?
C14 C13 H13A 120.5 . . ?
N2 C14 C13 122.5(6) . . ?
N2 C14 H14A 118.7 . . ?
C13 C14 H14A 118.7 . . ?
C23 N3 C15 113.4(5) . . ?
C23 N3 C19 105.4(4) . . ?
C15 N3 C19 110.9(5) . . ?
C23 N3 C27 111.2(5) . . ?
C15 N3 C27 104.2(4) . . ?
C19 N3 C27 111.9(5) . . ?
N3 C15 C16 115.9(5) . . ?
N3 C15 H15A 108.3 . . ?
C16 C15 H15A 108.3 . . ?
N3 C15 H15B 108.3 . . ?
C16 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
C15 C16 C17 109.2(6) . . ?
C15 C16 H16A 109.8 . . ?
C17 C16 H16A 109.8 . . ?
C15 C16 H16B 109.8 . . ?
C17 C16 H16B 109.8 . . ?
H16A C16 H16B 108.3 . . ?
C18 C17 C16 113.3(8) . . ?
C18A C17 C16 104(4) . . ?
C18 C17 H17A 108.9 . . ?
C16 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
C16 C17 H17B 108.9 . . ?
H17A C17 H17B 107.7 . . ?
C18A C17 H17C 110.9 . . ?
C16 C17 H17C 110.9 . . ?
C18A C17 H17D 110.9 . . ?
C16 C17 H17D 110.9 . . ?
H17C C17 H17D 108.9 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C18A H18D 109.5 . . ?
C17 C18A H18E 109.5 . . ?
H18D C18A H18E 109.5 . . ?
C17 C18A H18F 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C20 C19 N3 116.7(5) . . ?
C20 C19 H19A 108.1 . . ?
N3 C19 H19A 108.1 . . ?
C20 C19 H19B 108.1 . . ?
N3 C19 H19B 108.1 . . ?
H19A C19 H19B 107.3 . . ?
C21 C20 C19 112.3(6) . . ?
C21 C20 H20A 109.1 . . ?
C19 C20 H20A 109.1 . . ?
C21 C20 H20B 109.1 . . ?
C19 C20 H20B 109.1 . . ?
H20A C20 H20B 107.9 . . ?
C20 C21 C22 115.8(11) . . ?
C20 C21 C22A 111.5(16) . . ?
C20 C21 H21A 108.3 . . ?
C22 C21 H21A 108.3 . . ?
C20 C21 H21B 108.3 . . ?
C22 C21 H21B 108.3 . . ?
H21A C21 H21B 107.4 . . ?
C20 C21 H21C 109.3 . . ?
C22A C21 H21C 109.3 . . ?
C20 C21 H21D 109.3 . . ?
C22A C21 H21D 109.3 . . ?
H21C C21 H21D 108.0 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C22A H22D 109.5 . . ?
C21 C22A H22E 109.5 . . ?
H22D C22A H22E 109.5 . . ?
C21 C22A H22F 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?
N3 C23 C24 114.9(5) . . ?
N3 C23 H23A 108.5 . . ?
C24 C23 H23A 108.5 . . ?
N3 C23 H23B 108.5 . . ?
C24 C23 H23B 108.5 . . ?
H23A C23 H23B 107.5 . . ?
C23 C24 C25 107.9(6) . . ?
C23 C24 H24A 110.1 . . ?
C25 C24 H24A 110.1 . . ?
C23 C24 H24B 110.1 . . ?
C25 C24 H24B 110.1 . . ?
H24A C24 H24B 108.4 . . ?
C26 C25 C24 111.9(8) . . ?
C26 C25 H25A 109.2 . . ?
C24 C25 H25A 109.2 . . ?
C26 C25 H25B 109.2 . . ?
C24 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 N3 115.3(5) . . ?
C28 C27 H27A 108.4 . . ?
N3 C27 H27A 108.4 . . ?
C28 C27 H27B 108.4 . . ?
N3 C27 H27B 108.4 . . ?
H27A C27 H27B 107.5 . . ?
C29 C28 C27 109.9(6) . . ?
C29 C28 H28A 109.7 . . ?
C27 C28 H28A 109.7 . . ?
C29 C28 H28B 109.7 . . ?
C27 C28 H28B 109.7 . . ?
H28A C28 H28B 108.2 . . ?
C28 C29 C30A 116.1(15) . . ?
C28 C29 C30 112.9(10) . . ?
C28 C29 H29A 109.0 . . ?
C30 C29 H29A 109.0 . . ?
C28 C29 H29B 109.0 . . ?
C30 C29 H29B 109.0 . . ?
H29A C29 H29B 107.8 . . ?
C28 C29 H29C 108.3 . . ?
C30A C29 H29C 108.3 . . ?
C28 C29 H29D 108.3 . . ?
C30A C29 H29D 108.3 . . ?
H29C C29 H29D 107.4 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C30A H30D 109.5 . . ?
C29 C30A H30E 109.5 . . ?
H30D C30A H30E 109.5 . . ?
C29 C30A H30F 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?

_refine_diff_density_max         1.562
_refine_diff_density_min         -0.981
_refine_diff_density_rms         0.101





