# Supplementary Information (SI) for ChemComm.
# 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_sk190_auto
_database_code_depnum_ccdc_archive 'CCDC 2528045'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2026-02-02 deposited with the CCDC.	2026-03-25 downloaded from the CCDC.
;
_audit_creation_date             2025-11-09
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7317)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H25 Fe P5'
_chemical_formula_sum            'C14 H25 Fe P5'
_chemical_formula_weight         404.04
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C14 H25 Fe P5'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Fe Fe -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.00330(10)
_cell_length_b                   15.17660(10)
_cell_length_c                   12.33030(10)
_cell_angle_alpha                90
_cell_angle_beta                 107.1030(10)
_cell_angle_gamma                90
_cell_volume                     1968.01(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17177
_cell_measurement_temperature    123.00(10)
_cell_measurement_theta_max      66.5240
_cell_measurement_theta_min      4.1490
_cell_oxdiff_angle_alpha         89.996(2)
_cell_oxdiff_angle_beta          107.100(2)
_cell_oxdiff_angle_gamma         89.984(2)
_cell_oxdiff_length_a            11.0053(3)
_cell_oxdiff_length_b            15.1736(4)
_cell_oxdiff_length_c            12.3302(3)
_cell_oxdiff_measurement_reflns_used 17177
_cell_oxdiff_volume              1968.00(8)
_shelx_estimated_absorpt_T_max   0.638
_shelx_estimated_absorpt_T_min   0.125
_exptl_absorpt_coefficient_mu    9.893
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1043
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            31700
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        66.639
_diffrn_reflns_theta_max         66.639
_diffrn_reflns_theta_min         4.204
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      123.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 4.2047
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -89.00 -53.00   1.00    1.75    --  -43.23 -43.00-141.00   36
  2  ω    -19.00  27.00   1.00    1.75    --   43.23 -43.00-141.00   46
  3  ω     26.00 113.00   1.00    1.75    --   43.23  43.00  10.00   87
  4  ω     85.00 110.00   1.00    7.00    --   86.50  43.00  10.00   25
  5  ω    -56.00 -31.00   1.00    7.00    --  -90.00  43.00  10.00   25
  6  ω   -113.00 -87.00   1.00    7.00    --  -90.00  43.00  10.00   26
  7  ω   -150.00-113.00   1.00    7.00    --  -90.00 -43.00-141.00   37
  8  ω    -43.00 -17.00   1.00    1.75    --  -43.23  43.00  10.00   26
  9  ω    -93.00 -28.00   1.00    1.75    --  -43.23 125.00-180.00   65
 10  ω     18.00 111.00   1.00    1.75    --   43.23  57.00 120.00   93
 11  ω     62.00  88.00   1.00    7.00    --   86.50  61.00 150.00   26
 12  ω   -137.00-111.00   1.00    7.00    --  -90.00 -30.00 120.00   26
 13  ω   -155.00-108.00   1.00    7.00    --  -90.00-125.00 -30.00   47
 14  ω   -100.00 -63.00   1.00    7.00    --  -90.00 -61.00  60.00   37
 15  ω    -99.00 -61.00   1.00    7.00    --  -90.00 -68.00 113.56   38
 16  ω   -159.00-133.00   1.00    7.00    --  -90.00 -61.00  60.00   26
 17  ω   -163.00-103.00   1.00    7.00    --  -90.00 -77.00   0.00   60
 18  ω   -129.00-103.00   1.00    7.00    --  -90.00 -45.00-180.00   26
 19  ω    -64.00 -20.00   1.00    7.00    --  -90.00  45.00 120.00   44
 20  ω   -170.00-144.00   1.00    7.00    --  -90.00 -94.00 -60.00   26
 21  ω   -103.00 -77.00   1.00    7.00    --  -90.00  45.00-150.00   26
 22  ω   -160.00 -66.00   1.00    7.00    --  -90.00 -43.00 103.50   94
 23  ω   -159.00-133.00   1.00    7.00    --  -90.00 -68.00 113.56   26
 24  ω   -103.00 -69.00   1.00    7.00    --  -90.00 -45.00  22.22   34
 25  ω    -94.00 -64.00   1.00    7.00    --  -90.00 -61.00  30.00   30
 26  ω   -129.00-103.00   1.00    7.00    --  -90.00  15.00  60.00   26
 27  ω    -68.00 -16.00   1.00    7.00    --  -90.00  15.00  60.00   52
 28  ω   -116.00 -68.00   1.00    7.00    --  -90.00  61.00-150.00   48
 29  ω    -46.00 -21.00   1.00    7.00    --  -90.00  61.00-150.00   25
 30  ω    -42.00 -17.00   1.00    7.00    --  -90.00  30.00 -30.00   25
 31  ω   -100.00 -75.00   1.00    7.00    --  -90.00 -45.00-180.00   25
 32  ω   -116.00 -90.00   1.00    7.00    --  -90.00 -68.00-124.80   26
 33  ω    -91.00 -66.00   1.00    7.00    --  -90.00 -61.00 120.00   25
 34  ω   -104.00 -67.00   1.00    7.00    --  -90.00 -68.00 -76.56   37
 35  ω   -132.00 -90.00   1.00    7.00    --  -90.00 -15.00-120.00   42
 36  ω    -86.00 -56.00   1.00    7.00    --  -90.00 -15.00-120.00   30
 37  ω   -121.00 -96.00   1.00    7.00    --  -90.00 -45.00  60.00   25
 38  ω   -110.00 -66.00   1.00    7.00    --  -90.00 -61.00  90.00   44
 39  ω   -157.00 -96.00   1.00    7.00    --  -90.00 -45.00 150.00   61
 40  ω   -143.00-118.00   1.00    7.00    --  -90.00 -45.00  90.00   25
 41  ω    -65.00 -39.00   1.00    7.00    --  -90.00  46.00-177.02   26
 42  ω    -97.00 -44.00   1.00    7.00    --  -90.00  45.00 -90.00   53
 43  ω    -91.00 -22.00   1.00    7.00    --  -90.00  61.00  60.00   69
 44  ω   -128.00 -61.00   1.00    7.00    --  -90.00 -15.00 -30.00   67
 45  ω   -122.00 -97.00   1.00    7.00    --  -90.00-125.00   0.00   25
 46  ω   -161.00-120.00   1.00    7.00    --  -90.00-125.00 120.00   41
 47  ω   -161.00-136.00   1.00    7.00    --  -90.00 -95.00 130.24   25
 48  ω   -112.00 -27.00   1.00    7.00    --  -90.00 125.00 -90.00   85
 49  ω   -116.00 -91.00   1.00    7.00    --  -90.00 -53.00 -85.56   25
 50  ω   -150.00-124.00   1.00    7.00    --  -90.00 -51.00 -82.72   26
 51  ω   -107.00 -82.00   1.00    7.00    --  -90.00 -45.00-150.00   25
 52  ω   -149.00-119.00   1.00    7.00    --  -90.00 -61.00-180.00   30
 53  ω   -111.00 -86.00   1.00    7.00    --  -90.00  30.00 -30.00   25
 54  ω    -73.00 -48.00   1.00    7.00    --  -90.00  45.00-150.00   25
 55  ω    -98.00 -72.00   1.00    7.00    --  -90.00  30.00 120.00   26
 56  ω    -52.00 -23.00   1.00    7.00    --  -90.00  30.00 120.00   29
 57  ω   -119.00 -94.00   1.00    7.00    --  -90.00 -30.00  30.00   25
 58  ω   -138.00-113.00   1.00    7.00    --  -90.00 -77.00 -90.00   25
 59  ω   -118.00 -93.00   1.00    7.00    --  -90.00  77.00-180.00   25
 60  ω    -48.00 -10.00   1.00    7.00    --  -90.00   0.00 -60.00   38
 61  ω   -141.00-116.00   1.00    7.00    --  -90.00-125.00  30.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dualflex, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0763427000
_diffrn_orient_matrix_UB_12      0.0224532000
_diffrn_orient_matrix_UB_13      -0.1230262000
_diffrn_orient_matrix_UB_21      0.0985402000
_diffrn_orient_matrix_UB_22      -0.0495421000
_diffrn_orient_matrix_UB_23      -0.0436325000
_diffrn_orient_matrix_UB_31      -0.0768857000
_diffrn_orient_matrix_UB_32      -0.0857298000
_diffrn_orient_matrix_UB_33      -0.0069833000
_diffrn_oxdiff_digest_hkl        
;
01c42e8ec956f9e732ae9e002ef97583842f35
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3288
_reflns_number_total             3488
_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       'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.701
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         3488
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0476
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0949P)²+1.0109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1273
_refine_ls_wR_factor_ref         0.1306
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C3(H3A,H3B,H3C),
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C2(H2A,H2B,H2C), C14(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   mixed
_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
Fe1 Fe 0.68276(4) 0.59144(3) 0.30189(3) 0.02039(17) Uani 1 1 d . . . . .
P1 P 0.84677(7) 0.74716(5) 0.37900(6) 0.0259(2) Uani 1 1 d . . . . .
P2 P 0.66412(7) 0.74058(5) 0.25701(7) 0.0279(2) Uani 1 1 d . . . . .
P5 P 0.89696(7) 0.61088(6) 0.39911(8) 0.0369(2) Uani 1 1 d . . . . .
P3 P 0.69931(9) 0.65343(6) 0.13361(7) 0.0388(2) Uani 1 1 d . . . . .
P4 P 0.85118(10) 0.56972(6) 0.22525(9) 0.0448(3) Uani 1 1 d . . . . .
C5 C 0.6532(3) 0.46759(19) 0.3613(2) 0.0258(6) Uani 1 1 d . . . . .
C6 C 0.5637(3) 0.48342(19) 0.2521(2) 0.0272(6) Uani 1 1 d . . . . .
C7 C 0.6350(3) 0.5336(2) 0.4378(2) 0.0283(6) Uani 1 1 d . . . . .
C8 C 0.5357(3) 0.59030(18) 0.3770(3) 0.0302(7) Uani 1 1 d . . . . .
C9 C 0.4913(3) 0.5592(2) 0.2621(3) 0.0294(6) Uani 1 1 d . . . . .
C4 C 0.8897(3) 0.9237(2) 0.3717(3) 0.0346(7) Uani 1 1 d . . . . .
H4A H 0.815034 0.925382 0.304642 0.052 Uiso 1 1 calc R U . . .
H4B H 0.946754 0.972537 0.368449 0.052 Uiso 1 1 calc R U . . .
H4C H 0.862578 0.929085 0.440327 0.052 Uiso 1 1 calc R U . . .
C1 C 0.9599(3) 0.8360(2) 0.3744(3) 0.0322(7) Uani 1 1 d . . . . .
C10 C 0.7441(4) 0.3921(2) 0.3912(4) 0.0431(8) Uani 1 1 d . . . . .
H10A H 0.769464 0.374819 0.324363 0.065 Uiso 1 1 calc R U . . .
H10B H 0.702838 0.342101 0.416396 0.065 Uiso 1 1 calc R U . . .
H10C H 0.819455 0.409705 0.452302 0.065 Uiso 1 1 calc R U . . .
C11 C 0.7039(4) 0.5415(3) 0.5614(3) 0.0472(9) Uani 1 1 d . . . . .
H11A H 0.785999 0.511302 0.577795 0.071 Uiso 1 1 calc R U . . .
H11B H 0.652924 0.514612 0.605687 0.071 Uiso 1 1 calc R U . . .
H11C H 0.717920 0.603935 0.581697 0.071 Uiso 1 1 calc R U . . .
C3 C 1.0008(4) 0.8247(2) 0.2669(3) 0.0435(8) Uani 1 1 d . . . . .
H3A H 1.050169 0.770274 0.272372 0.065 Uiso 1 1 calc R U . . .
H3B H 1.053266 0.875054 0.258848 0.065 Uiso 1 1 calc R U . . .
H3C H 0.925290 0.821596 0.200740 0.065 Uiso 1 1 calc R U . . .
C12 C 0.5468(5) 0.4270(2) 0.1497(3) 0.0487(10) Uani 1 1 d . . . . .
H12A H 0.506885 0.461521 0.081340 0.073 Uiso 1 1 calc R U . . .
H12B H 0.492554 0.376577 0.153502 0.073 Uiso 1 1 calc R U . . .
H12C H 0.629976 0.405722 0.146903 0.073 Uiso 1 1 calc R U . . .
C13 C 0.4800(4) 0.6652(2) 0.4260(4) 0.0522(10) Uani 1 1 d . . . . .
H13A H 0.546467 0.692278 0.488074 0.078 Uiso 1 1 calc R U . . .
H13B H 0.412024 0.642920 0.455137 0.078 Uiso 1 1 calc R U . . .
H13C H 0.445157 0.709181 0.366904 0.078 Uiso 1 1 calc R U . . .
C2 C 1.0730(4) 0.8305(3) 0.4817(4) 0.0561(11) Uani 1 1 d . . . . .
H2A H 1.043275 0.838302 0.548632 0.084 Uiso 1 1 calc R U . . .
H2B H 1.134393 0.876879 0.480076 0.084 Uiso 1 1 calc R U . . .
H2C H 1.113895 0.772747 0.485272 0.084 Uiso 1 1 calc R U . . .
C14 C 0.3839(3) 0.5982(3) 0.1704(4) 0.0522(11) Uani 1 1 d . . . . .
H14A H 0.386349 0.662530 0.177279 0.078 Uiso 1 1 calc R U . . .
H14B H 0.302917 0.576259 0.177874 0.078 Uiso 1 1 calc R U . . .
H14C H 0.391964 0.581271 0.096177 0.078 Uiso 1 1 calc R U . . .
H1 H 0.820(4) 0.767(2) 0.471(3) 0.034(9) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe1 P2 2.3248(8) . ?
Fe1 P5 2.3275(9) . ?
Fe1 P3 2.3336(8) . ?
Fe1 P4 2.3379(9) . ?
Fe1 C5 2.077(3) . ?
Fe1 C6 2.075(3) . ?
Fe1 C7 2.091(3) . ?
Fe1 C8 2.087(3) . ?
Fe1 C9 2.076(3) . ?
P1 P2 2.1292(10) . ?
P1 P5 2.1363(11) . ?
P1 C1 1.847(3) . ?
P1 H1 1.30(4) . ?
P2 P3 2.1357(12) . ?
P5 P4 2.1458(14) . ?
P3 P4 2.1384(15) . ?
C5 C6 1.436(4) . ?
C5 C7 1.430(4) . ?
C5 C10 1.494(4) . ?
C6 C9 1.425(4) . ?
C6 C12 1.492(4) . ?
C7 C8 1.420(5) . ?
C7 C11 1.493(4) . ?
C8 C9 1.436(5) . ?
C8 C13 1.500(4) . ?
C9 C14 1.496(4) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 C1 1.534(5) . ?
C1 C3 1.530(5) . ?
C1 C2 1.529(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 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
P2 Fe1 P5 90.24(3) . . ?
P2 Fe1 P3 54.58(3) . . ?
P2 Fe1 P4 93.78(3) . . ?
P5 Fe1 P3 94.29(4) . . ?
P5 Fe1 P4 54.77(4) . . ?
P3 Fe1 P4 54.48(4) . . ?
C5 Fe1 P2 162.34(8) . . ?
C5 Fe1 P5 99.94(8) . . ?
C5 Fe1 P3 137.70(8) . . ?
C5 Fe1 P4 103.87(8) . . ?
C5 Fe1 C7 40.12(11) . . ?
C5 Fe1 C8 67.30(11) . . ?
C6 Fe1 P2 134.02(9) . . ?
C6 Fe1 P5 135.06(9) . . ?
C6 Fe1 P3 105.25(8) . . ?
C6 Fe1 P4 105.99(9) . . ?
C6 Fe1 C5 40.45(11) . . ?
C6 Fe1 C7 67.67(11) . . ?
C6 Fe1 C8 67.70(12) . . ?
C6 Fe1 C9 40.14(12) . . ?
C7 Fe1 P2 125.03(9) . . ?
C7 Fe1 P5 95.47(9) . . ?
C7 Fe1 P3 170.23(9) . . ?
C7 Fe1 P4 132.88(9) . . ?
C8 Fe1 P2 95.05(8) . . ?
C8 Fe1 P5 124.91(10) . . ?
C8 Fe1 P3 132.15(10) . . ?
C8 Fe1 P4 171.17(8) . . ?
C8 Fe1 C7 39.72(13) . . ?
C9 Fe1 P2 99.26(9) . . ?
C9 Fe1 P5 162.76(9) . . ?
C9 Fe1 P3 102.94(9) . . ?
C9 Fe1 P4 137.82(10) . . ?
C9 Fe1 C5 67.48(11) . . ?
C9 Fe1 C7 67.29(12) . . ?
C9 Fe1 C8 40.35(13) . . ?
P2 P1 P5 101.22(4) . . ?
P2 P1 H1 102.6(17) . . ?
P5 P1 H1 104.3(16) . . ?
C1 P1 P2 121.15(10) . . ?
C1 P1 P5 123.82(11) . . ?
C1 P1 H1 100.7(16) . . ?
P1 P2 Fe1 83.03(3) . . ?
P1 P2 P3 101.61(5) . . ?
P3 P2 Fe1 62.92(3) . . ?
P1 P5 Fe1 82.81(3) . . ?
P1 P5 P4 100.91(5) . . ?
P4 P5 Fe1 62.86(4) . . ?
P2 P3 Fe1 62.50(3) . . ?
P2 P3 P4 105.58(5) . . ?
P4 P3 Fe1 62.86(3) . . ?
P5 P4 Fe1 62.37(3) . . ?
P3 P4 Fe1 62.66(3) . . ?
P3 P4 P5 105.80(5) . . ?
C6 C5 Fe1 69.70(16) . . ?
C6 C5 C10 125.7(3) . . ?
C7 C5 Fe1 70.46(16) . . ?
C7 C5 C6 108.1(3) . . ?
C7 C5 C10 126.1(3) . . ?
C10 C5 Fe1 128.2(2) . . ?
C5 C6 Fe1 69.85(16) . . ?
C5 C6 C12 125.3(3) . . ?
C9 C6 Fe1 69.95(16) . . ?
C9 C6 C5 107.5(2) . . ?
C9 C6 C12 127.1(3) . . ?
C12 C6 Fe1 127.9(2) . . ?
C5 C7 Fe1 69.42(15) . . ?
C5 C7 C11 127.0(3) . . ?
C8 C7 Fe1 69.98(17) . . ?
C8 C7 C5 108.1(3) . . ?
C8 C7 C11 124.8(3) . . ?
C11 C7 Fe1 127.7(2) . . ?
C7 C8 Fe1 70.29(17) . . ?
C7 C8 C9 107.9(3) . . ?
C7 C8 C13 126.0(3) . . ?
C9 C8 Fe1 69.40(18) . . ?
C9 C8 C13 125.9(3) . . ?
C13 C8 Fe1 129.4(2) . . ?
C6 C9 Fe1 69.91(17) . . ?
C6 C9 C8 108.3(3) . . ?
C6 C9 C14 126.3(3) . . ?
C8 C9 Fe1 70.25(17) . . ?
C8 C9 C14 125.4(3) . . ?
C14 C9 Fe1 127.4(2) . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
C4 C1 P1 107.1(2) . . ?
C3 C1 P1 108.5(2) . . ?
C3 C1 C4 110.6(3) . . ?
C2 C1 P1 108.6(2) . . ?
C2 C1 C4 110.0(3) . . ?
C2 C1 C3 111.8(3) . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C11 H11A 109.5 . . ?
C7 C11 H11B 109.5 . . ?
C7 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C6 C12 H12A 109.5 . . ?
C6 C12 H12B 109.5 . . ?
C6 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?

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
Fe1 C5 C6 C9 -60.08(19) . . . . ?
Fe1 C5 C6 C12 122.9(3) . . . . ?
Fe1 C5 C7 C8 59.5(2) . . . . ?
Fe1 C5 C7 C11 -122.4(3) . . . . ?
Fe1 C6 C9 C8 -60.0(2) . . . . ?
Fe1 C6 C9 C14 122.2(3) . . . . ?
Fe1 C7 C8 C9 59.4(2) . . . . ?
Fe1 C7 C8 C13 -125.0(3) . . . . ?
Fe1 C8 C9 C6 59.8(2) . . . . ?
Fe1 C8 C9 C14 -122.4(3) . . . . ?
P2 P1 C1 C4 53.1(2) . . . . ?
P2 P1 C1 C3 -66.4(3) . . . . ?
P2 P1 C1 C2 171.8(2) . . . . ?
P5 P1 C1 C4 -174.19(16) . . . . ?
P5 P1 C1 C3 66.3(3) . . . . ?
P5 P1 C1 C2 -55.4(3) . . . . ?
C5 C6 C9 Fe1 60.02(19) . . . . ?
C5 C6 C9 C8 0.0(3) . . . . ?
C5 C6 C9 C14 -177.8(3) . . . . ?
C5 C7 C8 Fe1 -59.13(19) . . . . ?
C5 C7 C8 C9 0.3(3) . . . . ?
C5 C7 C8 C13 175.9(3) . . . . ?
C6 C5 C7 Fe1 -59.77(19) . . . . ?
C6 C5 C7 C8 -0.3(3) . . . . ?
C6 C5 C7 C11 177.8(3) . . . . ?
C7 C5 C6 Fe1 60.25(19) . . . . ?
C7 C5 C6 C9 0.2(3) . . . . ?
C7 C5 C6 C12 -176.9(3) . . . . ?
C7 C8 C9 Fe1 -60.0(2) . . . . ?
C7 C8 C9 C6 -0.2(3) . . . . ?
C7 C8 C9 C14 177.6(3) . . . . ?
C10 C5 C6 Fe1 -123.1(3) . . . . ?
C10 C5 C6 C9 176.8(3) . . . . ?
C10 C5 C6 C12 -0.3(5) . . . . ?
C10 C5 C7 Fe1 123.6(3) . . . . ?
C10 C5 C7 C8 -176.9(3) . . . . ?
C10 C5 C7 C11 1.2(5) . . . . ?
C11 C7 C8 Fe1 122.7(3) . . . . ?
C11 C7 C8 C9 -177.9(3) . . . . ?
C11 C7 C8 C13 -2.3(5) . . . . ?
C12 C6 C9 Fe1 -123.0(3) . . . . ?
C12 C6 C9 C8 177.0(3) . . . . ?
C12 C6 C9 C14 -0.8(5) . . . . ?
C13 C8 C9 Fe1 124.4(3) . . . . ?
C13 C8 C9 C6 -175.8(3) . . . . ?
C13 C8 C9 C14 2.0(5) . . . . ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.445
_oxdiff_exptl_absorpt_empirical_full_min 0.549
