# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1841301'
_audit_update_record             
;
2018-10-29 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H64 Ge N4 O4'
_chemical_formula_weight         905.68

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'
Ge Ge 0.1547 1.8001 '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/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   15.0823(15)
_cell_length_b                   22.183(2)
_cell_length_c                   7.3630(8)
_cell_angle_alpha                90
_cell_angle_beta                 94.243(2)
_cell_angle_gamma                90
_cell_volume                     2456.7(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2599
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      23.29

_exptl_crystal_description       parallelograme
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.224
_exptl_crystal_F_000             960
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    0.672
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20699
_diffrn_reflns_av_unetI/netI     0.1188
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         1.354
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6079
_reflns_number_gt                3520
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_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)+(0.0650P)²] 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         6079
_refine_ls_number_parameters     343
_refine_ls_number_restraints     161
_refine_ls_R_factor_all          0.1010
_refine_ls_R_factor_gt           0.0513
_refine_ls_wR_factor_ref         0.1605
_refine_ls_wR_factor_gt          0.1246
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.036
_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
Ge1 Ge 1.0000 0.0000 1.0000 0.02003(15) Uani 1 2 d S . P . .
O1 O 1.10399(13) 0.00225(10) 0.8846(3) 0.0227(5) Uani 1 1 d . . . . .
O2 O 1.03726(13) 0.06602(9) 1.1366(3) 0.0211(5) Uani 1 1 d . . . . .
N1 N 0.93828(17) 0.05821(12) 0.7970(4) 0.0223(6) Uani 1 1 d . . . . .
C1 C 1.1562(2) 0.04824(14) 0.9553(4) 0.0211(7) Uani 1 1 d . . . . .
C2 C 1.1206(2) 0.08291(14) 1.0929(4) 0.0202(7) Uani 1 1 d . . . . .
C3 C 1.1690(2) 0.13046(14) 1.1752(4) 0.0240(7) Uani 1 1 d . . . . .
C4 C 1.2538(2) 0.14044(15) 1.1161(5) 0.0266(8) Uani 1 1 d . . . . .
H4A H 1.2884 0.1722 1.1713 0.032 Uiso 1 1 calc DR U . . .
C5 C 1.2911(2) 0.10634(15) 0.9802(5) 0.0286(8) Uani 1 1 d D U . . .
C6 C 1.2396(2) 0.05975(15) 0.8991(5) 0.0250(8) Uani 1 1 d . . . . .
H6A H 1.2622 0.0361 0.8054 0.030 Uiso 1 1 calc DR U . . .
C7 C 1.1317(2) 0.16997(15) 1.3244(5) 0.0250(8) Uani 1 1 d . . . . .
C8 C 1.1200(3) 0.13140(16) 1.4958(5) 0.0335(9) Uani 1 1 d . . . . .
H8A H 1.0802 0.0975 1.4638 0.050 Uiso 1 1 calc R U . . .
H8B H 1.1780 0.1159 1.5433 0.050 Uiso 1 1 calc R U . . .
H8C H 1.0945 0.1563 1.5888 0.050 Uiso 1 1 calc R U . . .
C9 C 1.0397(2) 0.19645(16) 1.2563(5) 0.0306(8) Uani 1 1 d . . . . .
H9A H 0.9987 0.1635 1.2206 0.046 Uiso 1 1 calc R U . . .
H9B H 1.0156 0.2199 1.3541 0.046 Uiso 1 1 calc R U . . .
H9C H 1.0466 0.2226 1.1511 0.046 Uiso 1 1 calc R U . . .
C10 C 1.1945(2) 0.22256(16) 1.3793(5) 0.0358(9) Uani 1 1 d . . . . .
H10A H 1.1689 0.2467 1.4739 0.054 Uiso 1 1 calc R U . . .
H10B H 1.2523 0.2066 1.4263 0.054 Uiso 1 1 calc R U . . .
H10C H 1.2023 0.2479 1.2727 0.054 Uiso 1 1 calc R U . . .
C11 C 1.3857(2) 0.11928(16) 0.9236(5) 0.0380(9) Uani 1 1 d D U . . .
C12 C 1.3781(4) 0.1374(3) 0.7178(8) 0.058(2) Uani 0.704(6) 1 d D U P A 1
H12A H 1.3415 0.1737 0.7011 0.087 Uiso 0.704(6) 1 calc R U P A 1
H12B H 1.4376 0.1453 0.6780 0.087 Uiso 0.704(6) 1 calc R U P A 1
H12C H 1.3505 0.1044 0.6454 0.087 Uiso 0.704(6) 1 calc R U P A 1
C13 C 1.4424(3) 0.0631(2) 0.9463(9) 0.0461(17) Uani 0.704(6) 1 d D U P A 1
H13A H 1.4123 0.0295 0.8808 0.069 Uiso 0.704(6) 1 calc R U P A 1
H13B H 1.5001 0.0703 0.8969 0.069 Uiso 0.704(6) 1 calc R U P A 1
H13C H 1.4516 0.0530 1.0759 0.069 Uiso 0.704(6) 1 calc R U P A 1
C14 C 1.4316(4) 0.1727(3) 1.0254(11) 0.065(2) Uani 0.704(6) 1 d D U P A 1
H14A H 1.3941 0.2087 1.0093 0.098 Uiso 0.704(6) 1 calc R U P A 1
H14B H 1.4408 0.1631 1.1553 0.098 Uiso 0.704(6) 1 calc DR U P A 1
H14C H 1.4892 0.1804 0.9763 0.098 Uiso 0.704(6) 1 calc R U P A 1
C12A C 1.4184(8) 0.0737(6) 0.7855(18) 0.056(4) Uani 0.296(6) 1 d D U P A 2
H12D H 1.4084 0.0326 0.8285 0.084 Uiso 0.296(6) 1 calc DR U P A 2
H12E H 1.3855 0.0797 0.6671 0.084 Uiso 0.296(6) 1 calc R U P A 2
H12F H 1.4820 0.0798 0.7732 0.084 Uiso 0.296(6) 1 calc R U P A 2
C13A C 1.4537(7) 0.1089(7) 1.0988(14) 0.053(4) Uani 0.296(6) 1 d D U P A 2
H13D H 1.4482 0.0675 1.1423 0.080 Uiso 0.296(6) 1 calc R U P A 2
H13E H 1.5146 0.1159 1.0658 0.080 Uiso 0.296(6) 1 calc R U P A 2
H13F H 1.4398 0.1371 1.1952 0.080 Uiso 0.296(6) 1 calc R U P A 2
C14A C 1.3989(8) 0.1842(4) 0.866(2) 0.051(4) Uani 0.296(6) 1 d D U P A 2
H14D H 1.3772 0.2114 0.9584 0.076 Uiso 0.296(6) 1 calc R U P A 2
H14E H 1.4623 0.1917 0.8551 0.076 Uiso 0.296(6) 1 calc R U P A 2
H14F H 1.3658 0.1916 0.7489 0.076 Uiso 0.296(6) 1 calc R U P A 2
C15 C 0.9195(2) 0.11616(16) 0.8328(5) 0.0312(9) Uani 1 1 d . . . . .
H15A H 0.9335 0.1311 0.9525 0.037 Uiso 1 1 calc R U . . .
C16 C 0.8809(2) 0.15478(16) 0.7029(5) 0.0348(9) Uani 1 1 d . . . . .
H16A H 0.8682 0.1954 0.7324 0.042 Uiso 1 1 calc R U . . .
C17 C 0.8610(2) 0.13285(16) 0.5284(5) 0.0286(8) Uani 1 1 d . . . . .
C18 C 0.8794(2) 0.07368(16) 0.4897(5) 0.0306(8) Uani 1 1 d . . . . .
H18A H 0.8660 0.0578 0.3711 0.037 Uiso 1 1 calc R U . . .
C19 C 0.9181(2) 0.03782(16) 0.6282(5) 0.0281(8) Uani 1 1 d . . . . .
H19A H 0.9308 -0.0031 0.6019 0.034 Uiso 1 1 calc R U . . .
C20 C 0.8229(2) 0.17211(17) 0.3859(6) 0.0365(9) Uani 1 1 d . . . . .
N2 N 0.7954(2) 0.20256(17) 0.2712(5) 0.0571(11) Uani 1 1 d . . . . .
C3S C 0.6944(5) 0.0801(3) 0.8401(10) 0.056(2) Uani 0.626(9) 1 d D U P B 1
H3SA H 0.7210 0.0717 0.9584 0.068 Uiso 0.626(9) 1 calc R U P B 1
C4S C 0.6803(5) 0.0336(3) 0.7133(10) 0.0515(19) Uani 0.626(9) 1 d D U P B 1
H4SA H 0.6978 -0.0062 0.7477 0.062 Uiso 0.626(9) 1 calc R U P B 1
C1S C 0.6298(5) 0.1482(3) 0.6197(13) 0.070(2) Uani 0.626(9) 1 d D U P B 1
C6S C 0.6172(5) 0.1018(3) 0.4926(10) 0.069(3) Uani 0.626(9) 1 d D U P B 1
H6SA H 0.5917 0.1103 0.3735 0.083 Uiso 0.626(9) 1 calc R U P B 1
C5S C 0.6418(5) 0.0434(3) 0.5397(10) 0.061(2) Uani 0.626(9) 1 d D U P B 1
H5SA H 0.6324 0.0112 0.4555 0.074 Uiso 0.626(9) 1 calc R U P B 1
C2S C 0.6701(5) 0.1368(3) 0.7941(11) 0.072(2) Uani 0.626(9) 1 d D U P B 1
H2SA H 0.6801 0.1688 0.8790 0.086 Uiso 0.626(9) 1 calc R U P B 1
C7S C 0.6048(7) 0.2123(4) 0.5658(17) 0.139(5) Uani 0.626(9) 1 d D U P B 1
H7SA H 0.6178 0.2391 0.6701 0.208 Uiso 0.626(9) 1 calc R U P B 1
H7SB H 0.6392 0.2251 0.4648 0.208 Uiso 0.626(9) 1 calc R U P B 1
H7SC H 0.5412 0.2142 0.5277 0.208 Uiso 0.626(9) 1 calc R U P B 1
C7SA C 0.616(2) 0.1491(12) 0.365(2) 0.34(2) Uiso 0.374(9) 1 d D . P B 2
H7SD H 0.6054 0.1126 0.2913 0.503 Uiso 0.374(9) 1 calc R U P B 2
H7SE H 0.5644 0.1761 0.3460 0.503 Uiso 0.374(9) 1 calc R U P B 2
H7SF H 0.6691 0.1697 0.3278 0.503 Uiso 0.374(9) 1 calc R U P B 2
C4SA C 0.6982(13) 0.1032(8) 0.9155(19) 0.116(8) Uiso 0.374(9) 1 d D . P B 2
H4SB H 0.7173 0.0924 1.0370 0.139 Uiso 0.374(9) 1 calc R U P B 2
C5SA C 0.6882(13) 0.0591(6) 0.779(2) 0.088(7) Uiso 0.374(9) 1 d D . P B 2
H5SB H 0.7081 0.0193 0.8055 0.106 Uiso 0.374(9) 1 calc R U P B 2
C2SA C 0.6448(9) 0.1756(5) 0.6958(18) 0.074(5) Uiso 0.374(9) 1 d D . P B 2
H2SB H 0.6312 0.2164 0.6662 0.089 Uiso 0.374(9) 1 calc R U P B 2
C1SA C 0.6289(12) 0.1322(6) 0.5636(17) 0.087(7) Uiso 0.374(9) 1 d D . P B 2
C6SA C 0.6500(13) 0.0721(6) 0.606(2) 0.099(7) Uiso 0.374(9) 1 d D . P B 2
H6SB H 0.6385 0.0411 0.5183 0.118 Uiso 0.374(9) 1 calc R U P B 2
C3SA C 0.6799(12) 0.1619(7) 0.8709(19) 0.137(9) Uiso 0.374(9) 1 d D . P B 2
H3SB H 0.6910 0.1930 0.9584 0.164 Uiso 0.374(9) 1 calc R U P B 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
Ge1 O1 1.839(2) . ?
Ge1 O1 1.839(2) 3_757 ?
Ge1 O2 1.841(2) 3_757 ?
Ge1 O2 1.841(2) . ?
Ge1 N1 2.136(3) . ?
Ge1 N1 2.136(3) 3_757 ?
O1 C1 1.367(4) . ?
O2 C2 1.372(4) . ?
N1 C19 1.336(4) . ?
N1 C15 1.346(4) . ?
C1 C6 1.377(4) . ?
C1 C2 1.409(4) . ?
C2 C3 1.396(4) . ?
C3 C4 1.399(4) . ?
C3 C7 1.543(5) . ?
C4 C5 1.404(5) . ?
C5 C6 1.400(4) . ?
C5 C11 1.543(4) . ?
C7 C10 1.538(4) . ?
C7 C8 1.545(5) . ?
C7 C9 1.555(4) . ?
C11 C13 1.515(5) . ?
C11 C14A 1.519(8) . ?
C11 C14 1.539(6) . ?
C11 C12A 1.541(8) . ?
C11 C12 1.563(6) . ?
C11 C13A 1.603(8) . ?
C15 C16 1.381(5) . ?
C16 C17 1.385(5) . ?
C17 C18 1.376(5) . ?
C17 C20 1.449(5) . ?
C18 C19 1.387(5) . ?
C20 N2 1.136(5) . ?
C3S C2S 1.347(7) . ?
C3S C4S 1.397(7) . ?
C4S C5S 1.382(7) . ?
C1S C6S 1.394(8) . ?
C1S C2S 1.403(7) . ?
C1S C7S 1.517(7) . ?
C6S C5S 1.384(7) . ?
C7SA C1SA 1.511(9) . ?
C4SA C3SA 1.366(8) . ?
C4SA C5SA 1.403(8) . ?
C5SA C6SA 1.391(8) . ?
C2SA C1SA 1.377(8) . ?
C2SA C3SA 1.391(8) . ?
C1SA C6SA 1.399(8) . ?

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
O1 Ge1 O1 180.00(6) . 3_757 ?
O1 Ge1 O2 90.32(9) . 3_757 ?
O1 Ge1 O2 89.69(9) 3_757 3_757 ?
O1 Ge1 O2 89.68(9) . . ?
O1 Ge1 O2 90.32(9) 3_757 . ?
O2 Ge1 O2 180.00(8) 3_757 . ?
O1 Ge1 N1 90.15(10) . . ?
O1 Ge1 N1 89.85(10) 3_757 . ?
O2 Ge1 N1 89.95(10) 3_757 . ?
O2 Ge1 N1 90.05(10) . . ?
O1 Ge1 N1 89.85(10) . 3_757 ?
O1 Ge1 N1 90.15(10) 3_757 3_757 ?
O2 Ge1 N1 90.05(10) 3_757 3_757 ?
O2 Ge1 N1 89.95(10) . 3_757 ?
N1 Ge1 N1 180.0 . 3_757 ?
C1 O1 Ge1 109.32(19) . . ?
C2 O2 Ge1 109.70(18) . . ?
C19 N1 C15 117.9(3) . . ?
C19 N1 Ge1 120.2(2) . . ?
C15 N1 Ge1 121.8(2) . . ?
O1 C1 C6 122.5(3) . . ?
O1 C1 C2 116.2(3) . . ?
C6 C1 C2 121.3(3) . . ?
O2 C2 C3 124.3(3) . . ?
O2 C2 C1 115.1(3) . . ?
C3 C2 C1 120.7(3) . . ?
C2 C3 C4 116.5(3) . . ?
C2 C3 C7 122.1(3) . . ?
C4 C3 C7 121.4(3) . . ?
C3 C4 C5 124.0(3) . . ?
C6 C5 C4 117.6(3) . . ?
C6 C5 C11 121.1(3) . . ?
C4 C5 C11 121.2(3) . . ?
C1 C6 C5 120.0(3) . . ?
C10 C7 C3 111.6(3) . . ?
C10 C7 C8 108.1(3) . . ?
C3 C7 C8 109.6(3) . . ?
C10 C7 C9 108.4(3) . . ?
C3 C7 C9 110.4(3) . . ?
C8 C7 C9 108.7(3) . . ?
C13 C11 C14 110.5(4) . . ?
C14A C11 C12A 112.6(8) . . ?
C13 C11 C5 110.1(3) . . ?
C14A C11 C5 113.2(5) . . ?
C14 C11 C5 113.8(3) . . ?
C12A C11 C5 113.8(5) . . ?
C13 C11 C12 108.6(4) . . ?
C14 C11 C12 105.8(4) . . ?
C5 C11 C12 107.8(3) . . ?
C14A C11 C13A 105.6(7) . . ?
C12A C11 C13A 102.7(7) . . ?
C5 C11 C13A 107.8(5) . . ?
N1 C15 C16 122.7(3) . . ?
C15 C16 C17 118.4(3) . . ?
C18 C17 C16 119.6(3) . . ?
C18 C17 C20 119.9(3) . . ?
C16 C17 C20 120.5(3) . . ?
C17 C18 C19 118.4(3) . . ?
N1 C19 C18 123.0(3) . . ?
N2 C20 C17 177.8(4) . . ?
C2S C3S C4S 119.8(5) . . ?
C5S C4S C3S 122.3(5) . . ?
C6S C1S C2S 120.7(5) . . ?
C6S C1S C7S 119.9(8) . . ?
C2S C1S C7S 119.4(8) . . ?
C5S C6S C1S 120.1(5) . . ?
C4S C5S C6S 117.8(5) . . ?
C3S C2S C1S 119.3(6) . . ?
C3SA C4SA C5SA 118.9(6) . . ?
C6SA C5SA C4SA 121.9(6) . . ?
C1SA C2SA C3SA 122.5(6) . . ?
C2SA C1SA C6SA 119.0(6) . . ?
C2SA C1SA C7SA 121.0(12) . . ?
C6SA C1SA C7SA 117.6(11) . . ?
C5SA C6SA C1SA 118.2(6) . . ?
C4SA C3SA C2SA 119.1(6) . . ?

_refine_diff_density_max         0.680
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.144

_shelxl_version_number           2014/6


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene'
_exptl_crystal_preparation       Electrochemistry
