# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_p21n
_database_code_depnum_ccdc_archive 'CCDC 2018903'
loop_
_audit_author_name
_audit_author_address
'Stefano Zacchini'
;Universita di Bologna
Italy
;
_audit_update_record             
;
2020-07-24 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H30 Fe N2 O4 Si2'
_chemical_formula_weight         474.49

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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.4055(6)
_cell_length_b                   18.3319(12)
_cell_length_c                   15.0466(10)
_cell_angle_alpha                90
_cell_angle_beta                 92.570(2)
_cell_angle_gamma                90
_cell_volume                     2316.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9815
_cell_measurement_theta_min      2.6025
_cell_measurement_theta_max      31.242

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_F_000             1000
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.782
_shelx_estimated_absorpt_T_min   0.853
_shelx_estimated_absorpt_T_max   0.892
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6310
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_process_details   
; 
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption correction SADABS).
 R(int) =  0.1583 (selected reflections only, before parameter refinement)
 R(int) =  0.0682 (selected reflections only, after parameter refinement)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON100 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28207
_diffrn_reflns_av_unetI/netI     0.0417
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.752
_diffrn_reflns_theta_max         27.997
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5504
_reflns_number_gt                4943
_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.
 
 _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       'APEX3 (Bruker AXS, 2015)'
_computing_cell_refinement       'APEX3 (Bruker AXS, 2015)'
_computing_data_reduction        'SAINT (Bruker AXS, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEPIII (Johnson, 1996)'
_computing_publication_material  'XCIF 2014/2 (Bruker AXS, 2014)'
_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)+7.4456P] 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         5504
_refine_ls_number_parameters     270
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0751
_refine_ls_wR_factor_ref         0.1319
_refine_ls_wR_factor_gt          0.1296
_refine_ls_goodness_of_fit_ref   1.421
_refine_ls_restrained_S_all      1.421
_refine_ls_shift/su_max          0.001
_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
Fe1 Fe 0.69450(5) 0.67422(3) 0.63817(3) 0.00813(12) Uani 1 1 d . . . . .
C1 C 0.7482(4) 0.5840(2) 0.6111(2) 0.0122(7) Uani 1 1 d . . . . .
C2 C 0.7647(4) 0.6699(2) 0.7513(2) 0.0158(7) Uani 1 1 d . . . . .
C3 C 0.4752(4) 0.73419(19) 0.7007(2) 0.0128(7) Uani 1 1 d . . . . .
O1 O 0.7801(3) 0.52538(15) 0.59291(18) 0.0226(6) Uani 1 1 d . . . . .
O2 O 0.7960(3) 0.66331(18) 0.82588(17) 0.0268(7) Uani 1 1 d . . . . .
O3 O 0.4416(3) 0.75740(14) 0.77500(17) 0.0180(6) Uani 1 1 d . . . . .
O4 O 0.4869(3) 0.66700(15) 0.42032(16) 0.0193(6) Uani 1 1 d . . . . .
C4 C 0.4504(4) 0.65830(19) 0.6677(2) 0.0114(7) Uani 1 1 d . . . . .
C5 C 0.4727(4) 0.66198(18) 0.5741(2) 0.0099(6) Uani 1 1 d . . . . .
C6 C 0.5380(4) 0.73020(19) 0.5524(2) 0.0112(7) Uani 1 1 d . . . . .
C7 C 0.5572(4) 0.77452(19) 0.6302(2) 0.0112(7) Uani 1 1 d . . . . .
C8 C 0.4271(4) 0.6220(2) 0.4903(2) 0.0144(7) Uani 1 1 d . . . . .
H8A H 0.4765 0.5730 0.4901 0.017 Uiso 1 1 calc R U . . .
H8B H 0.3100 0.6166 0.4832 0.017 Uiso 1 1 calc R U . . .
C9 C 0.5371(5) 0.7379(2) 0.4533(2) 0.0158(7) Uani 1 1 d . . . . .
H9A H 0.4614 0.7763 0.4325 0.019 Uiso 1 1 calc R U . . .
H9B H 0.6446 0.7502 0.4335 0.019 Uiso 1 1 calc R U . . .
Si1 Si 0.60025(12) 0.87448(5) 0.63095(7) 0.0144(2) Uani 1 1 d . . . . .
C10 C 0.7440(5) 0.8970(2) 0.5442(3) 0.0210(8) Uani 1 1 d . . . . .
H10A H 0.7630 0.9498 0.5439 0.032 Uiso 1 1 calc R U . . .
H10B H 0.6999 0.8817 0.4858 0.032 Uiso 1 1 calc R U . . .
H10C H 0.8447 0.8715 0.5575 0.032 Uiso 1 1 calc R U . . .
C11 C 0.6670(5) 0.9087(2) 0.7431(3) 0.0252(9) Uani 1 1 d . . . . .
H11A H 0.5803 0.9033 0.7840 0.038 Uiso 1 1 calc R U . . .
H11B H 0.6963 0.9603 0.7389 0.038 Uiso 1 1 calc R U . . .
H11C H 0.7595 0.8805 0.7653 0.038 Uiso 1 1 calc R U . . .
C12 C 0.4101(5) 0.9226(2) 0.5977(3) 0.0272(9) Uani 1 1 d . . . . .
H12A H 0.3304 0.9128 0.6418 0.041 Uiso 1 1 calc R U . . .
H12B H 0.3708 0.9050 0.5393 0.041 Uiso 1 1 calc R U . . .
H12C H 0.4296 0.9752 0.5947 0.041 Uiso 1 1 calc R U . . .
Si2 Si 0.36134(11) 0.58328(5) 0.73302(6) 0.0123(2) Uani 1 1 d . . . . .
C13 C 0.3608(6) 0.4982(2) 0.6656(3) 0.0271(9) Uani 1 1 d . . . . .
H13A H 0.3051 0.4596 0.6969 0.041 Uiso 1 1 calc R U . . .
H13B H 0.4707 0.4829 0.6568 0.041 Uiso 1 1 calc R U . . .
H13C H 0.3063 0.5071 0.6077 0.041 Uiso 1 1 calc R U . . .
C14 C 0.4734(5) 0.5667(2) 0.8403(3) 0.0216(8) Uani 1 1 d . . . . .
H14A H 0.4824 0.6124 0.8740 0.032 Uiso 1 1 calc R U . . .
H14B H 0.5801 0.5485 0.8287 0.032 Uiso 1 1 calc R U . . .
H14C H 0.4168 0.5304 0.8749 0.032 Uiso 1 1 calc R U . . .
C15 C 0.1528(5) 0.6092(3) 0.7552(3) 0.0288(10) Uani 1 1 d . . . . .
H15A H 0.1006 0.5689 0.7852 0.043 Uiso 1 1 calc R U . . .
H15B H 0.0946 0.6200 0.6988 0.043 Uiso 1 1 calc R U . . .
H15C H 0.1532 0.6526 0.7934 0.043 Uiso 1 1 calc R U . . .
N1 N 1.0017(4) 0.75818(17) 0.6158(2) 0.0146(6) Uani 1 1 d . . . . .
N2 N 0.9372(3) 0.69515(16) 0.50007(19) 0.0126(6) Uani 1 1 d . . . . .
C21 C 0.8875(4) 0.71154(19) 0.5830(2) 0.0102(6) Uani 1 1 d . . . . .
C22 C 1.1160(4) 0.7710(2) 0.5543(3) 0.0189(8) Uani 1 1 d . . . . .
H22 H 1.2066 0.8017 0.5622 0.023 Uiso 1 1 calc R U . . .
C23 C 1.0752(4) 0.7322(2) 0.4818(3) 0.0177(8) Uani 1 1 d . . . . .
H23 H 1.1302 0.7304 0.4280 0.021 Uiso 1 1 calc R U . . .
C24 C 1.0104(5) 0.7939(2) 0.7026(3) 0.0201(8) Uani 1 1 d . . . . .
H24A H 0.9161 0.7812 0.7353 0.030 Uiso 1 1 calc R U . . .
H24B H 1.0146 0.8469 0.6944 0.030 Uiso 1 1 calc R U . . .
H24C H 1.1064 0.7777 0.7363 0.030 Uiso 1 1 calc R U . . .
C25 C 0.8692(5) 0.6409(2) 0.4379(2) 0.0156(7) Uani 1 1 d . . . . .
H25A H 0.9267 0.5947 0.4459 0.023 Uiso 1 1 calc R U . . .
H25B H 0.8789 0.6582 0.3768 0.023 Uiso 1 1 calc R U . . .
H25C H 0.7565 0.6335 0.4495 0.023 Uiso 1 1 calc R U . . .


_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 C1 1.766(4) . ?
Fe1 C2 1.778(4) . ?
Fe1 C21 1.978(3) . ?
Fe1 C5 2.072(3) . ?
Fe1 C6 2.073(3) . ?
Fe1 C4 2.139(3) . ?
Fe1 C7 2.171(3) . ?
Fe1 C3 2.376(3) . ?
C1 O1 1.144(4) . ?
C2 O2 1.147(4) . ?
C3 O3 1.241(4) . ?
C3 C7 1.488(5) . ?
C3 C4 1.489(5) . ?
O4 C8 1.445(4) . ?
O4 C9 1.447(4) . ?
C4 C5 1.431(5) . ?
C4 Si2 1.866(4) . ?
C5 C6 1.410(5) . ?
C5 C8 1.494(5) . ?
C6 C7 1.428(5) . ?
C6 C9 1.496(5) . ?
C7 Si1 1.868(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
Si1 C11 1.863(4) . ?
Si1 C10 1.864(4) . ?
Si1 C12 1.874(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 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
Si2 C14 1.858(4) . ?
Si2 C13 1.861(4) . ?
Si2 C15 1.861(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
N1 C21 1.362(4) . ?
N1 C22 1.384(5) . ?
N1 C24 1.459(5) . ?
N2 C21 1.366(4) . ?
N2 C23 1.382(4) . ?
N2 C25 1.464(5) . ?
C22 C23 1.335(6) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 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
C1 Fe1 C2 95.85(17) . . ?
C1 Fe1 C21 90.22(15) . . ?
C2 Fe1 C21 100.05(15) . . ?
C1 Fe1 C5 91.44(15) . . ?
C2 Fe1 C5 133.91(14) . . ?
C21 Fe1 C5 125.44(13) . . ?
C1 Fe1 C6 118.75(15) . . ?
C2 Fe1 C6 142.41(15) . . ?
C21 Fe1 C6 94.40(13) . . ?
C5 Fe1 C6 39.77(13) . . ?
C1 Fe1 C4 100.24(14) . . ?
C2 Fe1 C4 94.31(14) . . ?
C21 Fe1 C4 161.30(13) . . ?
C5 Fe1 C4 39.70(12) . . ?
C6 Fe1 C4 67.00(13) . . ?
C1 Fe1 C7 157.00(15) . . ?
C2 Fe1 C7 104.11(15) . . ?
C21 Fe1 C7 97.33(13) . . ?
C5 Fe1 C7 66.49(13) . . ?
C6 Fe1 C7 39.24(13) . . ?
C4 Fe1 C7 67.34(13) . . ?
C1 Fe1 C3 137.33(14) . . ?
C2 Fe1 C3 82.63(14) . . ?
C21 Fe1 C3 132.20(13) . . ?
C5 Fe1 C3 62.40(12) . . ?
C6 Fe1 C3 62.35(12) . . ?
C4 Fe1 C3 38.05(12) . . ?
C7 Fe1 C3 37.86(12) . . ?
O1 C1 Fe1 178.7(3) . . ?
O2 C2 Fe1 173.0(3) . . ?
O3 C3 C7 127.1(3) . . ?
O3 C3 C4 125.9(3) . . ?
C7 C3 C4 106.8(3) . . ?
O3 C3 Fe1 136.7(3) . . ?
C7 C3 Fe1 63.58(18) . . ?
C4 C3 Fe1 62.31(17) . . ?
C8 O4 C9 111.6(3) . . ?
C5 C4 C3 105.2(3) . . ?
C5 C4 Si2 128.8(3) . . ?
C3 C4 Si2 124.5(2) . . ?
C5 C4 Fe1 67.65(18) . . ?
C3 C4 Fe1 79.64(19) . . ?
Si2 C4 Fe1 128.40(18) . . ?
C6 C5 C4 109.9(3) . . ?
C6 C5 C8 109.1(3) . . ?
C4 C5 C8 140.2(3) . . ?
C6 C5 Fe1 70.15(19) . . ?
C4 C5 Fe1 72.65(19) . . ?
C8 C5 Fe1 129.6(2) . . ?
C5 C6 C7 110.2(3) . . ?
C5 C6 C9 109.2(3) . . ?
C7 C6 C9 139.3(3) . . ?
C5 C6 Fe1 70.09(19) . . ?
C7 C6 Fe1 74.1(2) . . ?
C9 C6 Fe1 129.9(2) . . ?
C6 C7 C3 105.2(3) . . ?
C6 C7 Si1 125.3(3) . . ?
C3 C7 Si1 125.4(2) . . ?
C6 C7 Fe1 66.68(19) . . ?
C3 C7 Fe1 78.6(2) . . ?
Si1 C7 Fe1 136.75(18) . . ?
O4 C8 C5 104.5(3) . . ?
O4 C8 H8A 110.9 . . ?
C5 C8 H8A 110.9 . . ?
O4 C8 H8B 110.9 . . ?
C5 C8 H8B 110.9 . . ?
H8A C8 H8B 108.9 . . ?
O4 C9 C6 104.2(3) . . ?
O4 C9 H9A 110.9 . . ?
C6 C9 H9A 110.9 . . ?
O4 C9 H9B 110.9 . . ?
C6 C9 H9B 110.9 . . ?
H9A C9 H9B 108.9 . . ?
C11 Si1 C10 112.40(19) . . ?
C11 Si1 C7 112.73(18) . . ?
C10 Si1 C7 110.15(16) . . ?
C11 Si1 C12 107.6(2) . . ?
C10 Si1 C12 106.3(2) . . ?
C7 Si1 C12 107.33(17) . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 Si2 C13 109.0(2) . . ?
C14 Si2 C15 109.3(2) . . ?
C13 Si2 C15 109.5(2) . . ?
C14 Si2 C4 112.25(17) . . ?
C13 Si2 C4 108.80(17) . . ?
C15 Si2 C4 108.02(17) . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 N1 C22 111.3(3) . . ?
C21 N1 C24 127.8(3) . . ?
C22 N1 C24 120.9(3) . . ?
C21 N2 C23 111.5(3) . . ?
C21 N2 C25 127.3(3) . . ?
C23 N2 C25 120.9(3) . . ?
N1 C21 N2 103.3(3) . . ?
N1 C21 Fe1 130.0(2) . . ?
N2 C21 Fe1 126.7(2) . . ?
C23 C22 N1 107.2(3) . . ?
C23 C22 H22 126.4 . . ?
N1 C22 H22 126.4 . . ?
C22 C23 N2 106.7(3) . . ?
C22 C23 H23 126.7 . . ?
N2 C23 H23 126.7 . . ?
N1 C24 H24A 109.5 . . ?
N1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C25 H25A 109.5 . . ?
N2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

_refine_diff_density_max         0.705
_refine_diff_density_min         -0.549
_refine_diff_density_rms         0.104

