# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_mj19383_0m
_database_code_depnum_ccdc_archive 'CCDC 2172442'
loop_
_audit_author_name
_audit_author_address
'Xuebing Leng'
;Shanghai Institute of Organic Chemistry
China
;
_audit_update_record             
;
2022-05-13 deposited with the CCDC.	2023-02-14 downloaded from the CCDC.
;
_audit_creation_date             2019-06-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C51 H70 Fe N4'
_chemical_formula_sum            'C51 H70 Fe N4'
_chemical_formula_weight         794.96
_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 0.0148 0.0070 '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 -0.2784 2.5795 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   23.1585(7)
_cell_length_b                   9.2604(3)
_cell_length_c                   23.5718(7)
_cell_angle_alpha                90
_cell_angle_beta                 114.448(2)
_cell_angle_gamma                90
_cell_volume                     4601.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9949
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      54.97
_cell_measurement_theta_min      3.33
_shelx_estimated_absorpt_T_max   0.909
_shelx_estimated_absorpt_T_min   0.801
_exptl_absorpt_coefficient_mu    1.939
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.6213
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0973 before and 0.0571 after correction. The Ratio of minimum to maximum transmission is 0.8275. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1720
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            20345
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.942
_diffrn_reflns_theta_min         4.537
_diffrn_ambient_temperature      170.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3874
_reflns_number_total             4317
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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         0.265
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4317
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0430
_refine_ls_restrained_S_all      1.093
_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)+(0.0557P)²+5.1281P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1169
_refine_ls_wR_factor_ref         0.1222
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C9(H9), C12(H12), C21(H21), C24(H24)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C6(H6), C7(H7), C17(H17), C18(H18), C19(H19)
2.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C13(H13B,H13A,H13C), C14(H14A,H14B,
 H14C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C25(H25A,H25B,H25C), C26(H26A,
 H26B,H26C)
;
_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
Fe1 Fe 0.500000 0.38486(4) 0.250000 0.02615(14) Uani 1 2 d S T P . .
N1 N 0.56767(8) 0.44103(18) 0.30362(8) 0.0320(4) Uani 1 1 d . . . . .
N2 N 0.47326(8) 0.08585(18) 0.20031(8) 0.0322(4) Uani 1 1 d . . . . .
C1 C 0.500000 0.1780(3) 0.250000 0.0278(6) Uani 1 2 d S T P . .
C2 C 0.48353(13) -0.0576(2) 0.21939(11) 0.0456(6) Uani 1 1 d . . . . .
H2 H 0.469514 -0.140231 0.193334 0.055 Uiso 1 1 calc R . . . .
C3 C 0.44331(10) 0.1193(2) 0.13493(9) 0.0324(4) Uani 1 1 d . . . . .
C4 C 0.48168(10) 0.1321(2) 0.10281(10) 0.0366(5) Uani 1 1 d . . . . .
C5 C 0.45156(12) 0.1407(3) 0.03810(11) 0.0504(6) Uani 1 1 d . . . . .
H5 H 0.476331 0.149207 0.014669 0.060 Uiso 1 1 calc R . . . .
C6 C 0.38622(14) 0.1368(3) 0.00745(11) 0.0588(7) Uani 1 1 d . . . . .
H6 H 0.366526 0.139872 -0.036789 0.071 Uiso 1 1 calc R . . . .
C7 C 0.34959(12) 0.1287(3) 0.04066(12) 0.0532(7) Uani 1 1 d . . . . .
H7 H 0.304689 0.129499 0.019010 0.064 Uiso 1 1 calc R . . . .
C8 C 0.37683(11) 0.1193(2) 0.10509(11) 0.0396(5) Uani 1 1 d . . . . .
C9 C 0.33616(12) 0.1041(3) 0.14126(13) 0.0509(6) Uani 1 1 d . . . . .
H9 H 0.360092 0.145020 0.183906 0.061 Uiso 1 1 calc R . . . .
C10 C 0.32198(18) -0.0542(4) 0.1478(2) 0.0898(12) Uani 1 1 d . . . . .
H10A H 0.301839 -0.098264 0.106399 0.135 Uiso 1 1 calc GR . . . .
H10B H 0.293347 -0.061103 0.168813 0.135 Uiso 1 1 calc GR . . . .
H10C H 0.361636 -0.104965 0.172452 0.135 Uiso 1 1 calc GR . . . .
C11 C 0.27317(12) 0.1853(3) 0.11033(15) 0.0645(8) Uani 1 1 d . . . . .
H11A H 0.281309 0.284665 0.101291 0.097 Uiso 1 1 calc GR . . . .
H11B H 0.251717 0.186564 0.138487 0.097 Uiso 1 1 calc GR . . . .
H11C H 0.246160 0.136722 0.071411 0.097 Uiso 1 1 calc GR . . . .
C12 C 0.55363(11) 0.1337(3) 0.13635(11) 0.0444(6) Uani 1 1 d . . . . .
H12 H 0.565022 0.163971 0.180417 0.053 Uiso 1 1 calc R . . . .
C13 C 0.58354(15) 0.2407(4) 0.10795(17) 0.0795(10) Uani 1 1 d . . . . .
H13B H 0.629434 0.243952 0.133076 0.119 Uiso 1 1 calc GR . . . .
H13A H 0.565383 0.336698 0.106979 0.119 Uiso 1 1 calc GR . . . .
H13C H 0.575158 0.210515 0.065396 0.119 Uiso 1 1 calc GR . . . .
C14 C 0.58095(14) -0.0171(4) 0.13778(17) 0.0736(9) Uani 1 1 d . . . . .
H14A H 0.560943 -0.085338 0.155889 0.110 Uiso 1 1 calc GR . . . .
H14B H 0.626821 -0.015355 0.163135 0.110 Uiso 1 1 calc GR . . . .
H14C H 0.572611 -0.047193 0.095243 0.110 Uiso 1 1 calc GR . . . .
C15 C 0.62468(9) 0.5005(2) 0.34305(10) 0.0343(5) Uani 1 1 d . . . . .
C16 C 0.63572(10) 0.5359(2) 0.40518(11) 0.0412(5) Uani 1 1 d . . . . .
C17 C 0.69531(12) 0.5888(3) 0.44444(13) 0.0544(7) Uani 1 1 d . . . . .
H17 H 0.703929 0.611488 0.486485 0.065 Uiso 1 1 calc R . . . .
C18 C 0.74208(12) 0.6088(3) 0.42302(14) 0.0596(8) Uani 1 1 d . . . . .
H18 H 0.782451 0.644505 0.450558 0.072 Uiso 1 1 calc R . . . .
C19 C 0.73078(11) 0.5776(3) 0.36263(14) 0.0523(7) Uani 1 1 d . . . . .
H19 H 0.763352 0.593522 0.348732 0.063 Uiso 1 1 calc R . . . .
C20 C 0.67257(10) 0.5231(2) 0.32106(11) 0.0417(5) Uani 1 1 d . . . . .
C21 C 0.66014(11) 0.4916(3) 0.25455(12) 0.0488(6) Uani 1 1 d . . . . .
H21 H 0.626865 0.414753 0.239095 0.059 Uiso 1 1 calc R . . . .
C22 C 0.63364(19) 0.6262(4) 0.21515(16) 0.0841(11) Uani 1 1 d . . . . .
H22A H 0.595082 0.657206 0.219241 0.126 Uiso 1 1 calc GR . . . .
H22B H 0.623504 0.604345 0.171369 0.126 Uiso 1 1 calc GR . . . .
H22C H 0.665282 0.703625 0.229489 0.126 Uiso 1 1 calc GR . . . .
C23 C 0.71837(17) 0.4364(6) 0.24666(19) 0.0983(13) Uani 1 1 d . . . . .
H23A H 0.751345 0.510967 0.260229 0.147 Uiso 1 1 calc GR . . . .
H23B H 0.706805 0.413372 0.202719 0.147 Uiso 1 1 calc GR . . . .
H23C H 0.734409 0.349314 0.271964 0.147 Uiso 1 1 calc GR . . . .
C24 C 0.58315(12) 0.5209(3) 0.42693(11) 0.0467(6) Uani 1 1 d . . . . .
H24 H 0.559777 0.429565 0.408687 0.056 Uiso 1 1 calc R . . . .
C25 C 0.60599(16) 0.5113(4) 0.49757(12) 0.0685(8) Uani 1 1 d . . . . .
H25A H 0.638451 0.435933 0.513918 0.103 Uiso 1 1 calc GR . . . .
H25B H 0.570122 0.487380 0.507724 0.103 Uiso 1 1 calc GR . . . .
H25C H 0.624043 0.604266 0.516422 0.103 Uiso 1 1 calc GR . . . .
C26 C 0.53615(14) 0.6454(3) 0.40216(14) 0.0596(7) Uani 1 1 d . . . . .
H26A H 0.557593 0.736613 0.419644 0.089 Uiso 1 1 calc GR . . . .
H26B H 0.500892 0.630939 0.414312 0.089 Uiso 1 1 calc GR . . . .
H26C H 0.519789 0.648643 0.356609 0.089 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
Fe1 N1 1.6384(16) . ?
Fe1 N1 1.6384(16) 2_655 ?
Fe1 C1 1.916(3) . ?
N1 C15 1.376(3) . ?
N2 C1 1.372(2) . ?
N2 C2 1.391(3) . ?
N2 C3 1.438(3) . ?
C2 C2 1.324(5) 2_655 ?
C2 H2 0.9500 . ?
C3 C4 1.391(3) . ?
C3 C8 1.403(3) . ?
C4 C5 1.393(3) . ?
C4 C12 1.520(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.381(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.374(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.385(3) . ?
C8 C9 1.516(3) . ?
C9 H9 1.0000 . ?
C9 C10 1.524(4) . ?
C9 C11 1.531(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 1.0000 . ?
C12 C13 1.514(4) . ?
C12 C14 1.528(4) . ?
C13 H13B 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.417(3) . ?
C15 C20 1.421(3) . ?
C16 C17 1.394(3) . ?
C16 C24 1.510(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.384(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.367(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.392(3) . ?
C20 C21 1.501(4) . ?
C21 H21 1.0000 . ?
C21 C22 1.524(4) . ?
C21 C23 1.524(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24 1.0000 . ?
C24 C25 1.527(3) . ?
C24 C26 1.526(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 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
N1 Fe1 N1 142.98(12) . 2_655 ?
N1 Fe1 C1 108.51(6) . . ?
N1 Fe1 C1 108.51(6) 2_655 . ?
C15 N1 Fe1 172.69(16) . . ?
C1 N2 C2 111.19(17) . . ?
C1 N2 C3 128.92(17) . . ?
C2 N2 C3 119.61(17) . . ?
N2 C1 Fe1 128.44(11) . . ?
N2 C1 Fe1 128.44(11) 2_655 . ?
N2 C1 N2 103.1(2) . 2_655 ?
N2 C2 H2 126.4 . . ?
C2 C2 N2 107.25(12) 2_655 . ?
C2 C2 H2 126.4 2_655 . ?
C4 C3 N2 117.94(18) . . ?
C4 C3 C8 122.9(2) . . ?
C8 C3 N2 118.69(19) . . ?
C3 C4 C5 117.3(2) . . ?
C3 C4 C12 121.84(19) . . ?
C5 C4 C12 120.9(2) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.0(2) . . ?
C6 C5 H5 119.5 . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.3(2) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 H7 119.3 . . ?
C6 C7 C8 121.3(2) . . ?
C8 C7 H7 119.3 . . ?
C3 C8 C9 121.8(2) . . ?
C7 C8 C3 117.2(2) . . ?
C7 C8 C9 121.0(2) . . ?
C8 C9 H9 108.4 . . ?
C8 C9 C10 110.9(2) . . ?
C8 C9 C11 112.2(2) . . ?
C10 C9 H9 108.4 . . ?
C10 C9 C11 108.5(2) . . ?
C11 C9 H9 108.4 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C4 C12 H12 107.7 . . ?
C4 C12 C14 110.9(2) . . ?
C13 C12 C4 112.3(2) . . ?
C13 C12 H12 107.7 . . ?
C13 C12 C14 110.3(2) . . ?
C14 C12 H12 107.7 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13B C13 H13A 109.5 . . ?
H13B C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 C16 120.20(19) . . ?
N1 C15 C20 119.2(2) . . ?
C16 C15 C20 120.58(19) . . ?
C15 C16 C24 120.22(19) . . ?
C17 C16 C15 118.2(2) . . ?
C17 C16 C24 121.5(2) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 120.9(3) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.7(2) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 119.3 . . ?
C18 C19 C20 121.4(3) . . ?
C20 C19 H19 119.3 . . ?
C15 C20 C21 120.75(19) . . ?
C19 C20 C15 118.1(2) . . ?
C19 C20 C21 121.1(2) . . ?
C20 C21 H21 107.7 . . ?
C20 C21 C22 109.4(2) . . ?
C20 C21 C23 113.3(2) . . ?
C22 C21 H21 107.7 . . ?
C23 C21 H21 107.7 . . ?
C23 C21 C22 110.7(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C16 C24 H24 107.5 . . ?
C16 C24 C25 114.3(2) . . ?
C16 C24 C26 110.3(2) . . ?
C25 C24 H24 107.5 . . ?
C26 C24 H24 107.5 . . ?
C26 C24 C25 109.4(2) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: diethyl ether and THF'
_chemical_properties_physical    Air-sensitive,Hygroscopic,Oxygen-sensitive
