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

data_red2
_database_code_depnum_ccdc_archive 'CCDC 2488810'
loop_
_audit_author_name
_audit_author_address
'Amrendra K. Singh'
;Indian Institute of Technology Indore
India
;
_audit_update_record             
;
2025-09-17 deposited with the CCDC.	2026-06-04 downloaded from the CCDC.
;
_audit_creation_date             2025-09-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H21 I N7 Ru, F5 P0.5, 0.5(F1.99 P1)'
_chemical_formula_sum            'C29 H21 F6 I N7 P Ru'
_chemical_formula_weight         840.47
_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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
P P 0.1023 0.0942 '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'

_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                   10.2849(4)
_cell_length_b                   34.0048(12)
_cell_length_c                   10.4093(3)
_cell_angle_alpha                90
_cell_angle_beta                 111.852(4)
_cell_angle_gamma                90
_cell_volume                     3378.9(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10610
_cell_measurement_temperature    298.15
_cell_measurement_theta_max      27.5790
_cell_measurement_theta_min      3.1970
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.488
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic brownish brown'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rhombohedral
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0971
_diffrn_reflns_av_unetI/netI     0.0677
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.907
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            35146
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.907
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.226
_diffrn_reflns_theta_min         2.980
_diffrn_ambient_temperature      298.15
_diffrn_detector_area_resol_mean 16.0309
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.907
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     22.00  47.00   0.50   15.00    --   18.33-135.00-159.00   50
  2  ω     21.00  46.00   0.50   15.00    --   18.33-133.00  19.00   50
  3  ω    -82.00 -57.00   0.50   15.00    --  -19.42 135.00 -94.00   50
  4  ω    -81.00 -56.00   0.50   15.00    --  -19.42 133.00  87.00   50
  5  ω    -41.00  20.00   0.50   15.00    --   18.33 -77.00-180.00  122
  6  ω     69.00  94.00   0.50   15.00    --   18.33 178.00  30.00   50
  7  ω     -7.00  73.00   0.50   15.00    --   18.33  37.00  60.00  160
  8  ω    -50.00  62.00   0.50   15.00    --   18.33 -19.00-150.00  224
  9  ω     67.00  95.00   0.50   15.00    --   18.33-178.00 -90.00   56
 10  ω    -39.00 -14.00   0.50   15.00    --  -19.42 -77.00 -30.00   50
 11  ω    -42.00  10.00   0.50   15.00    --  -19.42 -77.00  60.00  104
 12  ω    -14.00  11.00   0.50   15.00    --  -19.42 -77.00   0.00   50
 13  ω    -14.00  11.00   0.50   15.00    --  -19.42 -77.00-180.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Mo at home/near, Eos'
_diffrn_measurement_method       '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                5434
_reflns_number_total             8326
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.450
_refine_diff_density_min         -0.831
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         8326
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1004
_refine_ls_R_factor_gt           0.0667
_refine_ls_restrained_S_all      1.035
_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)+(0.0769P)²+8.2308P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1793
_refine_ls_wR_factor_ref         0.1996
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2. Others
 Sof(P1)=1-FVAR(1)
 Sof(P0AA)=FVAR(1)
 Fixed Sof: F5(0.5) F7(0.5) F0AA(0.5) F8(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 N3(H3), N7(H7), C9(H9), C18(H18), C15(H15), C11(H11), C29(H29), C17(H17),
 C10(H10), C16(H16), C28(H28), C6(H6), C26(H26), C27(H27), C23(H23), C3(H3A),
 C20(H20), C5(H5), C22(H22), C4(H4), C21(H21)
;
_atom_sites_solution_hydrogens   geom
_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
I1 I 0.18532(6) 0.66883(2) 0.50912(6) 0.0746(2) Uani 1 1 d . . . . .
Ru1 Ru 0.43537(6) 0.64083(2) 0.50944(5) 0.05112(17) Uani 1 1 d . . . . .
N5 N 0.5040(6) 0.69553(15) 0.5613(5) 0.0512(12) Uani 1 1 d . . . . .
N6 N 0.4334(6) 0.70543(16) 0.3307(5) 0.0534(12) Uani 1 1 d . . . . .
N2 N 0.6175(6) 0.61545(17) 0.5119(5) 0.0568(13) Uani 1 1 d . . . . .
N1 N 0.3718(6) 0.58398(17) 0.4425(5) 0.0611(14) Uani 1 1 d . . . . .
N4 N 0.5591(6) 0.67430(16) 0.7828(5) 0.0544(13) Uani 1 1 d . . . . .
N3 N 0.5235(7) 0.61356(18) 0.8239(5) 0.0663(15) Uani 1 1 d . . . . .
H3 H 0.497183 0.589374 0.813390 0.080 Uiso 1 1 calc R . . . .
N7 N 0.3488(6) 0.65730(17) 0.1872(5) 0.0570(13) Uani 1 1 d . . . . .
H7 H 0.319651 0.634373 0.154073 0.068 Uiso 1 1 calc R . . . .
C12 C 0.4852(7) 0.7226(2) 0.4618(6) 0.0546(15) Uani 1 1 d . . . . .
C13 C 0.3974(7) 0.66579(19) 0.3229(6) 0.0555(15) Uani 1 1 d . . . . .
C8 C 0.5493(7) 0.70656(19) 0.6941(6) 0.0522(14) Uani 1 1 d . . . . .
C25 C 0.6071(8) 0.5793(2) 0.4615(7) 0.0651(18) Uani 1 1 d . . . . .
C14 C 0.4056(7) 0.7209(2) 0.1973(6) 0.0571(15) Uani 1 1 d . . . . .
C9 C 0.5811(7) 0.7453(2) 0.7356(7) 0.0610(17) Uani 1 1 d . . . . .
H9 H 0.615036 0.752426 0.828567 0.073 Uiso 1 1 calc R . . . .
C7 C 0.6159(9) 0.6700(2) 0.9275(7) 0.0677(19) Uani 1 1 d . . . . .
C2 C 0.5903(10) 0.6319(2) 0.9525(7) 0.074(2) Uani 1 1 d . . . . .
C18 C 0.3092(8) 0.6940(3) -0.0352(7) 0.069(2) Uani 1 1 d . . . . .
H18 H 0.271755 0.673022 -0.094985 0.083 Uiso 1 1 calc R . . . .
C15 C 0.4231(8) 0.7576(2) 0.1474(7) 0.0695(19) Uani 1 1 d . . . . .
H15 H 0.461447 0.778487 0.207130 0.083 Uiso 1 1 calc R . . . .
C24 C 0.4658(9) 0.5619(2) 0.4117(7) 0.0681(19) Uani 1 1 d . . . . .
C11 C 0.5105(8) 0.7614(2) 0.4933(7) 0.0617(17) Uani 1 1 d . . . . .
H11 H 0.495218 0.779945 0.423624 0.074 Uiso 1 1 calc R . . . .
C29 C 0.7409(9) 0.6325(3) 0.5606(7) 0.0689(19) Uani 1 1 d . . . . .
H29 H 0.747756 0.657956 0.595568 0.083 Uiso 1 1 calc R . . . .
C17 C 0.3258(8) 0.7310(3) -0.0843(7) 0.073(2) Uani 1 1 d . . . . .
H17 H 0.298982 0.735129 -0.178960 0.087 Uiso 1 1 calc R . . . .
C10 C 0.5598(8) 0.7728(2) 0.6318(8) 0.0674(19) Uani 1 1 d . . . . .
H10 H 0.578519 0.799228 0.654658 0.081 Uiso 1 1 calc R . . . .
C19 C 0.3507(8) 0.6900(2) 0.1054(7) 0.0612(17) Uani 1 1 d . . . . .
C16 C 0.3820(8) 0.7619(3) 0.0071(7) 0.073(2) Uani 1 1 d . . . . .
H16 H 0.392006 0.786297 -0.028340 0.087 Uiso 1 1 calc R . . . .
C1 C 0.5061(8) 0.6387(2) 0.7200(7) 0.0613(17) Uani 1 1 d . . . . .
C28 C 0.8613(9) 0.6139(3) 0.5617(8) 0.078(2) Uani 1 1 d . . . . .
H28 H 0.946970 0.626905 0.596526 0.094 Uiso 1 1 calc R . . . .
C6 C 0.6850(9) 0.6960(3) 1.0327(7) 0.082(2) Uani 1 1 d . . . . .
H6 H 0.701458 0.721909 1.014772 0.098 Uiso 1 1 calc R . . . .
C26 C 0.7274(12) 0.5596(3) 0.4601(11) 0.096(3) Uani 1 1 d . . . . .
H26 H 0.719272 0.534396 0.423042 0.115 Uiso 1 1 calc R . . . .
C27 C 0.8544(10) 0.5771(3) 0.5125(10) 0.091(3) Uani 1 1 d . . . . .
H27 H 0.934580 0.564077 0.514387 0.109 Uiso 1 1 calc R . . . .
C23 C 0.4292(12) 0.5267(3) 0.3441(10) 0.095(3) Uani 1 1 d . . . . .
H23 H 0.494638 0.512489 0.320903 0.115 Uiso 1 1 calc R . . . .
C3 C 0.6347(13) 0.6171(3) 1.0845(8) 0.106(4) Uani 1 1 d . . . . .
H3A H 0.618449 0.591020 1.100831 0.127 Uiso 1 1 calc R . . . .
C20 C 0.2397(10) 0.5688(3) 0.4110(9) 0.083(2) Uani 1 1 d . . . . .
H20 H 0.174075 0.583031 0.433695 0.100 Uiso 1 1 calc R . . . .
C5 C 0.7281(14) 0.6815(4) 1.1652(9) 0.111(4) Uani 1 1 d . . . . .
H5 H 0.774532 0.698027 1.239299 0.134 Uiso 1 1 calc R . . . .
C22 C 0.2925(13) 0.5120(3) 0.3096(11) 0.101(3) Uani 1 1 d . . . . .
H22 H 0.266077 0.488321 0.262341 0.121 Uiso 1 1 calc R . . . .
C4 C 0.7036(16) 0.6421(4) 1.1912(9) 0.134(5) Uani 1 1 d . . . . .
H4 H 0.734544 0.632988 1.281871 0.161 Uiso 1 1 calc R . . . .
C21 C 0.2025(13) 0.5326(3) 0.3456(11) 0.105(3) Uani 1 1 d . . . . .
H21 H 0.113015 0.522651 0.327077 0.126 Uiso 1 1 calc R . . . .
P1 P 0.2387(10) 0.5280(3) 0.8110(7) 0.090(3) Uani 0.50(2) 1 d . . P A 1
P0AA P 0.2001(10) 0.5056(6) 0.8403(13) 0.138(6) Uani 0.50(2) 1 d . . P A 2
F1 F 0.3262(14) 0.4887(3) 0.8436(13) 0.216(5) Uani 1 1 d . . . A 1
F2 F 0.3158(15) 0.5399(4) 0.9508(12) 0.264(7) Uani 1 1 d . . . A 1
F4 F 0.0854(16) 0.5219(4) 0.8462(19) 0.261(7) Uani 1 1 d . . . A 1
F5 F 0.3512(17) 0.5346(4) 0.7472(18) 0.144(5) Uani 0.5 1 d . . P A 1
F6 F 0.1465(17) 0.5142(5) 0.6756(14) 0.264(7) Uani 1 1 d . . . A 1
F7 F 0.1938(14) 0.5686(4) 0.7813(17) 0.133(5) Uani 0.5 1 d . . P A 1
F0AA F 0.147(2) 0.4668(6) 0.779(3) 0.189(8) Uani 0.5 1 d . . P A 2
F8 F 0.239(6) 0.4838(19) 0.979(3) 0.44(4) Uani 0.5 1 d . . P A 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
I1 Ru1 2.7411(8) . ?
Ru1 N5 1.991(5) . ?
Ru1 N2 2.054(6) . ?
Ru1 N1 2.077(6) . ?
Ru1 C13 2.020(6) . ?
Ru1 C1 2.038(7) . ?
N5 C12 1.346(8) . ?
N5 C8 1.337(8) . ?
N6 C12 1.395(8) . ?
N6 C13 1.392(8) . ?
N6 C14 1.411(8) . ?
N2 C25 1.325(9) . ?
N2 C29 1.314(10) . ?
N1 C24 1.355(10) . ?
N1 C20 1.373(10) . ?
N4 C8 1.413(8) . ?
N4 C7 1.406(8) . ?
N4 C1 1.389(9) . ?
N3 C2 1.403(9) . ?
N3 C1 1.336(8) . ?
N7 C13 1.342(8) . ?
N7 C19 1.404(9) . ?
C12 C11 1.360(9) . ?
C8 C9 1.387(9) . ?
C25 C24 1.473(11) . ?
C25 C26 1.412(12) . ?
C14 C15 1.387(9) . ?
C14 C19 1.394(10) . ?
C9 C10 1.384(10) . ?
C7 C2 1.365(11) . ?
C7 C6 1.380(11) . ?
C2 C3 1.373(10) . ?
C18 C17 1.393(11) . ?
C18 C19 1.371(9) . ?
C15 C16 1.369(10) . ?
C24 C23 1.367(11) . ?
C11 C10 1.394(9) . ?
C29 C28 1.387(11) . ?
C17 C16 1.389(11) . ?
C28 C27 1.344(13) . ?
C6 C5 1.374(12) . ?
C26 C27 1.352(14) . ?
C23 C22 1.407(14) . ?
C3 C4 1.369(15) . ?
C20 C21 1.391(12) . ?
C5 C4 1.407(16) . ?
C22 C21 1.321(15) . ?
P1 F1 1.577(13) . ?
P1 F2 1.432(12) . ?
P1 F4 1.759(18) . ?
P1 F5 1.550(18) . ?
P1 F6 1.453(16) . ?
P1 F7 1.453(15) . ?
P0AA F0AA 1.48(2) . ?
P0AA F8 1.54(6) . ?

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
N5 Ru1 I1 85.04(16) . . ?
N5 Ru1 N2 99.2(2) . . ?
N5 Ru1 N1 175.0(2) . . ?
N5 Ru1 C13 77.9(2) . . ?
N5 Ru1 C1 78.1(2) . . ?
N2 Ru1 I1 175.44(16) . . ?
N2 Ru1 N1 77.6(2) . . ?
N1 Ru1 I1 98.32(18) . . ?
C13 Ru1 I1 90.4(2) . . ?
C13 Ru1 N2 92.1(2) . . ?
C13 Ru1 N1 98.3(2) . . ?
C13 Ru1 C1 156.0(3) . . ?
C1 Ru1 I1 88.4(2) . . ?
C1 Ru1 N2 90.7(3) . . ?
C1 Ru1 N1 105.6(2) . . ?
C12 N5 Ru1 119.7(4) . . ?
C8 N5 Ru1 119.6(4) . . ?
C8 N5 C12 119.9(5) . . ?
C12 N6 C14 132.0(6) . . ?
C13 N6 C12 117.3(5) . . ?
C13 N6 C14 110.6(5) . . ?
C25 N2 Ru1 116.5(5) . . ?
C29 N2 Ru1 124.4(5) . . ?
C29 N2 C25 119.2(7) . . ?
C24 N1 Ru1 115.6(5) . . ?
C24 N1 C20 117.7(7) . . ?
C20 N1 Ru1 126.1(6) . . ?
C7 N4 C8 132.9(6) . . ?
C1 N4 C8 116.7(5) . . ?
C1 N4 C7 110.3(6) . . ?
C1 N3 C2 111.0(6) . . ?
C13 N7 C19 112.6(6) . . ?
N5 C12 N6 111.1(5) . . ?
N5 C12 C11 121.2(6) . . ?
C11 C12 N6 127.7(6) . . ?
N6 C13 Ru1 113.5(4) . . ?
N7 C13 Ru1 141.6(5) . . ?
N7 C13 N6 104.9(5) . . ?
N5 C8 N4 111.7(5) . . ?
N5 C8 C9 122.7(6) . . ?
C9 C8 N4 125.6(6) . . ?
N2 C25 C24 115.9(7) . . ?
N2 C25 C26 120.2(8) . . ?
C26 C25 C24 123.9(8) . . ?
C15 C14 N6 134.2(6) . . ?
C15 C14 C19 119.8(6) . . ?
C19 C14 N6 105.9(6) . . ?
C10 C9 C8 116.6(6) . . ?
C2 C7 N4 105.7(6) . . ?
C2 C7 C6 122.3(7) . . ?
C6 C7 N4 132.0(8) . . ?
C7 C2 N3 107.5(6) . . ?
C7 C2 C3 121.6(8) . . ?
C3 C2 N3 130.8(8) . . ?
C19 C18 C17 116.7(7) . . ?
C16 C15 C14 117.6(7) . . ?
N1 C24 C25 113.0(6) . . ?
N1 C24 C23 121.5(8) . . ?
C23 C24 C25 125.4(8) . . ?
C12 C11 C10 118.9(6) . . ?
N2 C29 C28 122.1(8) . . ?
C16 C17 C18 120.6(6) . . ?
C9 C10 C11 120.6(7) . . ?
C14 C19 N7 106.0(6) . . ?
C18 C19 N7 131.1(7) . . ?
C18 C19 C14 122.9(7) . . ?
C15 C16 C17 122.3(7) . . ?
N4 C1 Ru1 113.3(4) . . ?
N3 C1 Ru1 141.3(6) . . ?
N3 C1 N4 105.4(6) . . ?
C27 C28 C29 120.1(9) . . ?
C5 C6 C7 116.5(9) . . ?
C27 C26 C25 120.3(9) . . ?
C28 C27 C26 118.1(9) . . ?
C24 C23 C22 120.0(10) . . ?
C4 C3 C2 117.6(10) . . ?
N1 C20 C21 121.2(10) . . ?
C6 C5 C4 121.3(9) . . ?
C21 C22 C23 118.6(9) . . ?
C3 C4 C5 120.7(9) . . ?
C22 C21 C20 120.8(11) . . ?
F1 P1 F4 109.8(10) . . ?
F2 P1 F1 88.0(7) . . ?
F2 P1 F4 91.3(9) . . ?
F2 P1 F5 100.1(12) . . ?
F2 P1 F6 172.6(14) . . ?
F2 P1 F7 87.7(9) . . ?
F5 P1 F1 76.0(8) . . ?
F5 P1 F4 167.5(10) . . ?
F6 P1 F1 92.8(7) . . ?
F6 P1 F4 81.5(10) . . ?
F6 P1 F5 87.3(9) . . ?
F6 P1 F7 93.4(9) . . ?
F7 P1 F1 164.3(12) . . ?
F7 P1 F4 85.3(8) . . ?
F7 P1 F5 90.0(10) . . ?
F0AA P0AA F8 84(2) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.022 0.389 0.014 107.6 21.8 H2O
2 -0.022 0.611 -0.014 107.6 22.1 ?
3 0.478 0.889 0.486 107.6 21.8 ?
4 0.522 0.111 0.514 107.6 22.1 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
# start Validation Reply Form
_vrf_PLAT910_red2                
;
PROBLEM: Missing FCF Reflection(s) Below Theta(Min)[Deg]= 2.98 Note
RESPONSE: This is most likely due to beamstop.
;
# end Validation Reply Form
