# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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).
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2291910'
loop_
_audit_author_name
_audit_author_address
'Jonathan White'
;University of Melbourne
Australia
;
_audit_update_record             
;
2023-08-31 deposited with the CCDC.	2023-09-27 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         ?
_chemical_formula_sum            'C32 H72 Mo2 N2 O7'
_chemical_formula_weight         788.79
_chemical_oxdiff_usercomment     H2M-15-101

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'
O O 0.0106 0.0060 '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'
N N 0.0061 0.0033 '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        'I 2/a'
_space_group_name_Hall           '-I 2ya'

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

_cell_length_a                   17.1743(3)
_cell_length_b                   13.7314(2)
_cell_length_c                   18.0806(3)
_cell_angle_alpha                90
_cell_angle_beta                 114.029(2)
_cell_angle_gamma                90
_cell_volume                     3894.38(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.00(10)
_cell_measurement_reflns_used    17996
_cell_measurement_theta_min      2.4510
_cell_measurement_theta_max      41.1220

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_F_000             1672
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.419
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.124
_exptl_absorpt_coefficient_mu    0.686
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.91808
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.744
_oxdiff_exptl_absorpt_empirical_full_max 1.226
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      100.00(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30977
_diffrn_reflns_av_unetI/netI     0.0387
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.467
_diffrn_reflns_theta_max         41.043
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             12327
_reflns_number_gt                10255
_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       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0288P)²+0.3236P] 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         12327
_refine_ls_number_parameters     199
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0295
_refine_ls_wR_factor_ref         0.0702
_refine_ls_wR_factor_gt          0.0673
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.003
_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
C1 C 0.37537(6) 0.32376(6) 0.80088(5) 0.01442(14) Uani 1 1 d . . . . .
H1A H 0.374917 0.293450 0.752251 0.017 Uiso 1 1 calc R U . . .
H1B H 0.316480 0.332734 0.792995 0.017 Uiso 1 1 calc R U . . .
C2 C 0.41727(6) 0.25349(7) 0.87132(5) 0.01792(16) Uani 1 1 d . . . . .
H2A H 0.428491 0.286423 0.922108 0.021 Uiso 1 1 calc R U . . .
H2B H 0.471117 0.230760 0.872200 0.021 Uiso 1 1 calc R U . . .
C3 C 0.35759(7) 0.16696(8) 0.86124(6) 0.02057(18) Uani 1 1 d . . . . .
H3A H 0.303878 0.190737 0.859974 0.025 Uiso 1 1 calc R U . . .
H3B H 0.346000 0.135503 0.809781 0.025 Uiso 1 1 calc R U . . .
C4 C 0.39442(9) 0.09216(9) 0.92889(7) 0.0298(2) Uani 1 1 d . . . . .
H4A H 0.445022 0.064153 0.927492 0.045 Uiso 1 1 calc R U . . .
H4B H 0.353158 0.041802 0.921590 0.045 Uiso 1 1 calc R U . . .
H4C H 0.408291 0.123389 0.980206 0.045 Uiso 1 1 calc R U . . .
C5 C 0.50975(5) 0.41582(7) 0.82458(5) 0.01430(14) Uani 1 1 d . . . . .
H5A H 0.538941 0.378740 0.873865 0.017 Uiso 1 1 calc R U . . .
H5B H 0.534028 0.480790 0.833804 0.017 Uiso 1 1 calc R U . . .
C6 C 0.52798(6) 0.36865(7) 0.75710(5) 0.01700(15) Uani 1 1 d . . . . .
H6A H 0.491380 0.396982 0.705437 0.020 Uiso 1 1 calc R U . . .
H6B H 0.515964 0.299441 0.755081 0.020 Uiso 1 1 calc R U . . .
C7 C 0.62109(6) 0.38437(8) 0.77223(6) 0.02147(18) Uani 1 1 d . . . . .
H7A H 0.633512 0.453574 0.777441 0.026 Uiso 1 1 calc R U . . .
H7B H 0.657264 0.353344 0.822802 0.026 Uiso 1 1 calc R U . . .
C8 C 0.64152(9) 0.34307(9) 0.70403(8) 0.0304(2) Uani 1 1 d . . . . .
H8A H 0.627446 0.275049 0.697455 0.046 Uiso 1 1 calc R U . . .
H8B H 0.701188 0.351202 0.717040 0.046 Uiso 1 1 calc R U . . .
H8C H 0.608813 0.376917 0.654595 0.046 Uiso 1 1 calc R U . . .
C9 C 0.36654(6) 0.47688(6) 0.73058(5) 0.01413(14) Uani 1 1 d . . . . .
H9A H 0.367874 0.438052 0.686287 0.017 Uiso 1 1 calc R U . . .
H9B H 0.307521 0.481657 0.723355 0.017 Uiso 1 1 calc R U . . .
C10 C 0.39863(7) 0.57839(7) 0.72485(5) 0.02155(19) Uani 1 1 d . . . . .
H10A H 0.458550 0.575367 0.734986 0.026 Uiso 1 1 calc R U . . .
H10B H 0.392888 0.619855 0.765783 0.026 Uiso 1 1 calc R U . . .
C11 C 0.34785(8) 0.62203(8) 0.64063(6) 0.02245(19) Uani 1 1 d . . . . .
H11A H 0.287620 0.619881 0.629377 0.027 Uiso 1 1 calc R U . . .
H11B H 0.363762 0.689877 0.641053 0.027 Uiso 1 1 calc R U . . .
C12 C 0.36195(9) 0.56987(9) 0.57307(6) 0.0298(2) Uani 1 1 d . . . . .
H12A H 0.421883 0.567253 0.585685 0.045 Uiso 1 1 calc R U . . .
H12B H 0.333192 0.604498 0.523147 0.045 Uiso 1 1 calc R U . . .
H12C H 0.339687 0.504885 0.567645 0.045 Uiso 1 1 calc R U . . .
C13 C 0.41387(6) 0.47913(7) 0.88157(5) 0.01473(14) Uani 1 1 d . . . . .
H13A H 0.444737 0.441854 0.930377 0.018 Uiso 1 1 calc R U . . .
H13B H 0.443558 0.540519 0.886616 0.018 Uiso 1 1 calc R U . . .
C14 C 0.32506(6) 0.50004(9) 0.87651(6) 0.02119(18) Uani 1 1 d . . . . .
H14A H 0.295600 0.439039 0.873989 0.025 Uiso 1 1 calc R U . . .
H14B H 0.293094 0.536173 0.827320 0.025 Uiso 1 1 calc R U . . .
C15 C 0.32856(7) 0.55868(7) 0.94960(5) 0.01893(16) Uani 1 1 d . . . . .
H15A H 0.272652 0.557207 0.950870 0.023 Uiso 1 1 calc R U . . .
H15B H 0.368100 0.527116 0.998468 0.023 Uiso 1 1 calc R U . . .
C16 C 0.35554(7) 0.66451(8) 0.95058(6) 0.02222(18) Uani 1 1 d . . . . .
H16A H 0.413252 0.667017 0.955345 0.033 Uiso 1 1 calc R U . . .
H16B H 0.351689 0.697446 0.995808 0.033 Uiso 1 1 calc R U . . .
H16C H 0.318668 0.695756 0.901210 0.033 Uiso 1 1 calc R U . . .
O1 O 0.36779(5) 0.13040(6) 0.67296(4) 0.02487(16) Uani 1 1 d . . . . .
O2 O 0.43854(5) 0.15220(6) 0.55783(5) 0.02382(15) Uani 1 1 d . . . . .
O3 O 0.250000 0.14981(8) 0.500000 0.02020(19) Uani 1 2 d S T P . .
O4 O 0.35719(5) 0.31172(5) 0.59748(5) 0.02220(15) Uani 1 1 d . . . . .
Mo1 Mo 0.35553(2) 0.18722(2) 0.58335(2) 0.01183(2) Uani 1 1 d . . . . .
N1 N 0.41639(5) 0.42361(5) 0.80952(4) 0.01240(12) Uani 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
C1 N1 1.5202(11) . ?
C1 C2 1.5246(12) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.5308(14) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.5235(15) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 N1 1.5168(11) . ?
C5 C6 1.5221(12) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C7 1.5240(14) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.5224(16) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.5179(13) . ?
C9 N1 1.5200(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.5352(13) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.5182(15) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.5177(14) . ?
C13 N1 1.5251(11) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.5277(13) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.5232(15) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
O1 Mo1 1.7321(7) . ?
O2 Mo1 1.7357(8) . ?
O3 Mo1 1.8962(3) 2_556 ?
O3 Mo1 1.8962(3) . ?
O4 Mo1 1.7270(7) . ?

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 C1 C2 116.33(7) . . ?
N1 C1 H1A 108.2 . . ?
C2 C1 H1A 108.2 . . ?
N1 C1 H1B 108.2 . . ?
C2 C1 H1B 108.2 . . ?
H1A C1 H1B 107.4 . . ?
C1 C2 C3 109.05(8) . . ?
C1 C2 H2A 109.9 . . ?
C3 C2 H2A 109.9 . . ?
C1 C2 H2B 109.9 . . ?
C3 C2 H2B 109.9 . . ?
H2A C2 H2B 108.3 . . ?
C4 C3 C2 112.87(9) . . ?
C4 C3 H3A 109.0 . . ?
C2 C3 H3A 109.0 . . ?
C4 C3 H3B 109.0 . . ?
C2 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C5 C6 115.69(7) . . ?
N1 C5 H5A 108.4 . . ?
C6 C5 H5A 108.4 . . ?
N1 C5 H5B 108.4 . . ?
C6 C5 H5B 108.4 . . ?
H5A C5 H5B 107.4 . . ?
C5 C6 C7 109.82(7) . . ?
C5 C6 H6A 109.7 . . ?
C7 C6 H6A 109.7 . . ?
C5 C6 H6B 109.7 . . ?
C7 C6 H6B 109.7 . . ?
H6A C6 H6B 108.2 . . ?
C8 C7 C6 111.90(9) . . ?
C8 C7 H7A 109.2 . . ?
C6 C7 H7A 109.2 . . ?
C8 C7 H7B 109.2 . . ?
C6 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 N1 115.13(7) . . ?
C10 C9 H9A 108.5 . . ?
N1 C9 H9A 108.5 . . ?
C10 C9 H9B 108.5 . . ?
N1 C9 H9B 108.5 . . ?
H9A C9 H9B 107.5 . . ?
C9 C10 C11 110.53(8) . . ?
C9 C10 H10A 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C12 C11 C10 113.69(9) . . ?
C12 C11 H11A 108.8 . . ?
C10 C11 H11A 108.8 . . ?
C12 C11 H11B 108.8 . . ?
C10 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 N1 114.86(7) . . ?
C14 C13 H13A 108.6 . . ?
N1 C13 H13A 108.6 . . ?
C14 C13 H13B 108.6 . . ?
N1 C13 H13B 108.6 . . ?
H13A C13 H13B 107.5 . . ?
C13 C14 C15 111.28(8) . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
C15 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 114.68(9) . . ?
C16 C15 H15A 108.6 . . ?
C14 C15 H15A 108.6 . . ?
C16 C15 H15B 108.6 . . ?
C14 C15 H15B 108.6 . . ?
H15A C15 H15B 107.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Mo1 O3 Mo1 148.56(6) 2_556 . ?
O4 Mo1 O1 108.62(4) . . ?
O4 Mo1 O2 110.35(4) . . ?
O1 Mo1 O2 108.89(4) . . ?
O4 Mo1 O3 109.79(4) . . ?
O1 Mo1 O3 109.52(3) . . ?
O2 Mo1 O3 109.65(3) . . ?
C5 N1 C9 110.64(7) . . ?
C5 N1 C1 111.51(7) . . ?
C9 N1 C1 106.09(6) . . ?
C5 N1 C13 106.12(6) . . ?
C9 N1 C13 111.13(7) . . ?
C1 N1 C13 111.44(7) . . ?

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
N1 C1 C2 C3 167.58(8) . . . . ?
C1 C2 C3 C4 179.68(9) . . . . ?
N1 C5 C6 C7 168.41(8) . . . . ?
C5 C6 C7 C8 -177.02(9) . . . . ?
N1 C9 C10 C11 175.85(8) . . . . ?
C9 C10 C11 C12 -66.79(13) . . . . ?
N1 C13 C14 C15 -178.09(8) . . . . ?
C13 C14 C15 C16 71.74(12) . . . . ?
Mo1 O3 Mo1 O4 7.43(3) 2_556 . . . ?
Mo1 O3 Mo1 O1 126.61(3) 2_556 . . . ?
Mo1 O3 Mo1 O2 -113.96(3) 2_556 . . . ?
C6 C5 N1 C9 -55.33(10) . . . . ?
C6 C5 N1 C1 62.50(9) . . . . ?
C6 C5 N1 C13 -175.98(8) . . . . ?
C10 C9 N1 C5 -57.17(10) . . . . ?
C10 C9 N1 C1 -178.27(8) . . . . ?
C10 C9 N1 C13 60.45(10) . . . . ?
C2 C1 N1 C5 56.35(10) . . . . ?
C2 C1 N1 C9 176.88(8) . . . . ?
C2 C1 N1 C13 -62.03(10) . . . . ?
C14 C13 N1 C5 176.83(8) . . . . ?
C14 C13 N1 C9 56.50(10) . . . . ?
C14 C13 N1 C1 -61.60(10) . . . . ?

_refine_diff_density_max         0.604
_refine_diff_density_min         -0.551
_refine_diff_density_rms         0.086


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
