N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.
Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon; Chemical communications (Cambridge, England) 56 (2020) 4684–4687; doi:10.1039/d0cc00875c

data_7126221
_publ_section_title
;
 N-H cleavage vs. Werner complex formation: reactivity of cationic group
 14 tetrelenes towards amines.
;
_journal_issue                   34
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4684
_journal_page_last               4687
_journal_paper_doi               10.1039/d0cc00875c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C31 H47 Ge N4, Al C16 F36 O4'
_chemical_formula_sum            'C47 H47 Al F36 Ge N4 O4'
_chemical_formula_weight         1515.45
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2020-01-28
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-02-01 deposited with the CCDC.	2020-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.072(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9314(3)
_cell_length_b                   19.6837(3)
_cell_length_c                   21.7403(4)
_cell_measurement_reflns_used    26665
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.1490
_cell_measurement_theta_min      4.0790
_cell_volume                     5902.59(19)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean 10.4102
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            74065
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.497
_diffrn_reflns_theta_min         3.913
_exptl_absorpt_coefficient_mu    2.338
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84302
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3032
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         4.809
_refine_diff_density_min         -0.713
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.469
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1319
_refine_ls_number_reflns         12071
_refine_ls_number_restraints     3263
_refine_ls_restrained_S_all      1.561
_refine_ls_R_factor_all          0.0972
_refine_ls_R_factor_gt           0.0914
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2905
_refine_ls_wR_factor_ref         0.3068
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10609
_reflns_number_total             12071
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc00875c2.cif
_cod_data_source_block           121hdmaf18
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7126216--7126223.cif.
;
_cod_database_code               7126221
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.800
_shelx_estimated_absorpt_t_min   0.678
_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. Restrained distances
 F15A-F13A \\sim F13A-F14A \\sim F14A-F15A
 with sigma of 0.02
 F11A-F12A \\sim F12A-F10A \\sim F10A-F11A
 with sigma of 0.02
 F11A-C39A \\sim F12A-C39A \\sim F10A-C39A
 with sigma of 0.02
 F26A-F27A \\sim F27A-F25A \\sim F25A-F26A
 with sigma of 0.04
 F24A-F22A \\sim F22A-F23A \\sim F23A-F24A
 with sigma of 0.04
 F21A-F20A \\sim F20A-F19A \\sim F19A-F21A
 with sigma of 0.04
 F29A-F28A \\sim F28A-F30A \\sim F30A-F29A
 with sigma of 0.04
 F31A-F33A \\sim F33A-F32A \\sim F32A-F31A
 with sigma of 0.04
 C45A-C43A \\sim C43A-C44A \\sim C44A-C45A
 with sigma of 0.04
 F8A-F9A \\sim F9A-F7A \\sim F7A-F8A
 with sigma of 0.04
 F4A-F6A \\sim F6A-F5A \\sim F5A-F4A
 with sigma of 0.04
 F2A-F3A \\sim F3A-F1A \\sim F1A-F2A
 with sigma of 0.02
 C37A-C36A \\sim C36A-C35A \\sim C35A-C37A
 with sigma of 0.04
 C35A-O1A \\sim C36A-O1A \\sim C37A-O1A
 with sigma of 0.04
 F12-C39 \\sim F11-C39 \\sim F10-C39
 with sigma of 0.02
 C37-C36 \\sim C36-C35 \\sim C35-C37
 with sigma of 0.04
 F6-F5 \\sim F5-F4 \\sim F4-F6
 with sigma of 0.04
 F7-F9 \\sim F9-F8 \\sim F8-F7
 with sigma of 0.04
 F3-F1 \\sim F1-F2 \\sim F2-F3
 with sigma of 0.04
 C45-C43 \\sim C43-C44 \\sim C44-C45
 with sigma of 0.04
 F23-F22 \\sim F22-F24 \\sim F24-F23
 with sigma of 0.04
 F20-F19 \\sim F19-F21 \\sim F21-F20
 with sigma of 0.04
 F25-F27 \\sim F27-F26 \\sim F26-F25
 with sigma of 0.04
 Al1-O2 \\sim Al1-O2A
 with sigma of 0.02
 F18-C41 \\sim F17-C41 \\sim F16-C41 \\sim F18A-C41A \\sim F17A-C41A \\sim
F16A-C41A
 with sigma of 0.02
 F15-C40 \\sim F15A-C40A \\sim F14-C40 \\sim F14A-C40A \\sim F13-C40 \\sim
F13A-C40A
 with sigma of 0.02
 O2-C38 \\sim O2A-C38A
 with sigma of 0.02
 C39-C38 \\sim C41-C38 \\sim C40-C38 \\sim C39A-C38A \\sim C41A-C38A \\sim
C40A-C38A
 with sigma of 0.02
 F27-C45 \\sim F27A-C45A \\sim F26A-C45A \\sim F26-C45 \\sim F25A-C45A \\sim
F25-C45
 with sigma of 0.02
 Al1-O3A \\sim Al1-O3
 with sigma of 0.02
 O3A-C42 \\sim O3-C42
 with sigma of 0.02
 F21-C43 \\sim F21A-C43A \\sim F20-C43 \\sim F20A-C43A \\sim F19A-C43A \\sim
F19-C43
 with sigma of 0.02
 Al1-O4A \\sim Al1-O4
 with sigma of 0.02
 F28-C47 \\sim F28A-C47A \\sim F30A-C47A \\sim F30-C47 \\sim F29-C47 \\sim
F29A-C47A
 with sigma of 0.02
 F32-C48 \\sim F33-C48 \\sim F31A-C48A \\sim F31-C48 \\sim F32A-C48A \\sim
F33A-C48A
 with sigma of 0.02
 C43-C42 \\sim C43A-C42 \\sim C45-C42 \\sim C45A-C42 \\sim C44-C42 \\sim
C44A-C42
 with sigma of 0.02
 F22A-C44A \\sim F23A-C44A \\sim F22-C44 \\sim F23-C44 \\sim F24-C44 \\sim
F24A-C44A
 with sigma of 0.02
 F8A-C37A \\sim F8-C37 \\sim F7-C37 \\sim F7A-C37A \\sim F9-C37 \\sim F9A-C37A
 with sigma of 0.02
 F3A-C35A \\sim F3-C35 \\sim F2A-C35A \\sim F2-C35 \\sim F1-C35 \\sim F1A-C35A
 with sigma of 0.02
 C36A-C34 \\sim C36-C34 \\sim C35A-C34 \\sim C35-C34 \\sim C37A-C34 \\sim
C37-C34
 with sigma of 0.02
 F6-C36 \\sim F6A-C36A \\sim F4A-C36A \\sim F4-C36 \\sim F5-C36 \\sim F5A-C36A
 with sigma of 0.02
 Al1-O1A \\sim Al1-O1
 with sigma of 0.02
 O1A-C34 \\sim O1-C34
 with sigma of 0.02
 C48A-C47A \\sim C47A-C49A \\sim C49A-C48A
 with sigma of 0.04
 F35-C49 \\sim F35A-C49A \\sim F36A-C49A \\sim F36-C49 \\sim F34-C49 \\sim
F34A-C49A
 with sigma of 0.02
 O4A-C46A \\sim O4-C46
 with sigma of 0.02
 C48A-C46A \\sim C48-C46 \\sim C49A-C46A \\sim C49-C46 \\sim C47A-C46A \\sim
C47-C46
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F10 \\sim F11 \\sim F12 \\sim F13 \\sim F14 \\sim F15 \\sim F16 \\sim F17 \\sim
F18 \\sim O2 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim F10A \\sim F11A
\\sim F12A \\sim F13A \\sim F14A \\sim F15A \\sim F16A \\sim F17A \\sim F18A
\\sim O2A \\sim C38A \\sim C39A \\sim C40A \\sim C41A: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.01
F19 \\sim F20 \\sim F21 \\sim F22 \\sim F23 \\sim F24 \\sim F25 \\sim F26 \\sim
F27 \\sim O3 \\sim C43 \\sim C44 \\sim C45 \\sim F19A \\sim F20A \\sim F21A
\\sim F22A \\sim F23A \\sim F24A \\sim F25A \\sim F26A \\sim F27A \\sim O3A
\\sim C43A \\sim C44A \\sim C45A: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01
C34 \\sim F1 \\sim F2 \\sim F3 \\sim F4 \\sim F5 \\sim F6 \\sim F7 \\sim F8
\\sim F9 \\sim O1 \\sim C35 \\sim C36 \\sim C37 \\sim F1A \\sim F2A \\sim F3A
\\sim F4A \\sim F5A \\sim F6A \\sim F7A \\sim F8A \\sim F9A \\sim O1A \\sim
C35A \\sim C36A \\sim C37A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.01
F28 \\sim F29 \\sim F30 \\sim F31 \\sim F32 \\sim F33 \\sim F34 \\sim F35 \\sim
F36 \\sim O4 \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim F28A \\sim F29A
\\sim F30A \\sim F31A \\sim F32A \\sim F33A \\sim F34A \\sim F35A \\sim F36A
\\sim O4A \\sim C46A \\sim C47A \\sim C48A \\sim C49A: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.01
Uanis(F11) \\sim Ueq, Uanis(F12) \\sim Ueq, Uanis(F10) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.01
Uanis(F11) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C39) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(F10) \\sim Ueq, Uanis(F11) \\sim Ueq, Uanis(F12) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.01
Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) \\sim Ueq, Uanis(F16A)
\\sim Ueq, Uanis(F17A) \\sim Ueq, Uanis(F18A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(F14) \\sim Ueq, Uanis(F14A) \\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F13A)
\\sim Ueq, Uanis(F15A) \\sim Ueq, Uanis(F15) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(C41) \\sim Ueq, Uanis(C41A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C40) \\sim Ueq, Uanis(C40A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C38) \\sim Ueq, Uanis(C38A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C39) \\sim Ueq, Uanis(C39A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C43) \\sim Ueq, Uanis(C43A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C45A) \\sim Ueq, Uanis(C45) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(F27A) \\sim Ueq, Uanis(F27) \\sim Ueq, Uanis(F26A) \\sim Ueq, Uanis(F26)
\\sim Ueq, Uanis(F25A) \\sim Ueq, Uanis(F25) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(F22A) \\sim Ueq, Uanis(F22) \\sim Ueq, Uanis(F23A) \\sim Ueq, Uanis(F23)
\\sim Ueq, Uanis(F24) \\sim Ueq, Uanis(F24A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(O3A) \\sim Ueq, Uanis(O3) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(F21) \\sim Ueq, Uanis(F21A) \\sim Ueq, Uanis(F20) \\sim Ueq, Uanis(F20A)
\\sim Ueq, Uanis(F19A) \\sim Ueq, Uanis(F19) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(O4) \\sim Ueq, Uanis(O4A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C47) \\sim Ueq, Uanis(C47A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(F28) \\sim Ueq, Uanis(F28A) \\sim Ueq, Uanis(F29) \\sim Ueq, Uanis(F29A)
\\sim Ueq, Uanis(F30A) \\sim Ueq, Uanis(F30) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(C48) \\sim Ueq, Uanis(C48A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(F31A) \\sim Ueq, Uanis(F32A) \\sim Ueq, Uanis(F33A) \\sim Ueq, Uanis(F32)
\\sim Ueq, Uanis(F33) \\sim Ueq, Uanis(F31) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(C44A) \\sim Ueq, Uanis(C44) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C37) \\sim Ueq, Uanis(C37A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C35A) \\sim Ueq, Uanis(C35) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(F7) \\sim Ueq, Uanis(F7A) \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F9A)
\\sim Ueq, Uanis(F8A) \\sim Ueq, Uanis(F8) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(F6A) \\sim Ueq, Uanis(F5) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F5A)
\\sim Ueq, Uanis(F4) \\sim Ueq, Uanis(F4A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(F1A) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(F2A) \\sim Ueq, Uanis(F2)
\\sim Ueq, Uanis(F3A) \\sim Ueq, Uanis(F3) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(C49) \\sim Ueq, Uanis(C49A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(F34) \\sim Ueq, Uanis(F36) \\sim Ueq, Uanis(F36A) \\sim Ueq, Uanis(F35)
\\sim Ueq, Uanis(F35A) \\sim Ueq, Uanis(F34A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(C46) \\sim Ueq, Uanis(C46A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(O2) = Uanis(O2A)
Uanis(C36A) = Uanis(C36)
Uanis(O1) = Uanis(O1A)
4. Rigid body (RIGU) restrains
 F10, F11, F12, F13, F14, F15, F16, F17, F18, O2, C38, C39, C40, C41, F10A,
 F11A, F12A, F13A, F14A, F15A, F16A, F17A, F18A, O2A, C38A, C39A, C40A, C41A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F19, F20, F21, F22, F23, F24, F25, F26, F27, O3, C43, C44, C45, F19A, F20A,
 F21A, F22A, F23A, F24A, F25A, F26A, F27A, O3A, C43A, C44A, C45A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C34, F1, F2, F3, F4, F5, F6, F7, F8, F9, O1, C35, C36, C37, F1A, F2A, F3A,
 F4A, F5A, F6A, F7A, F8A, F9A, O1A, C35A, C36A, C37A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F28, F29, F30, F31, F32, F33, F34, F35, F36, O4, C46, C47, C48, C49, F28A,
 F29A, F30A, F31A, F32A, F33A, F34A, F35A, F36A, O4A, C46A, C47A, C48A, C49A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(F1A)=Sof(F2A)=Sof(F3A)=Sof(F4A)=Sof(F5A)=Sof(F6A)=Sof(F7A)=Sof(F8A)=
 Sof(F9A)=Sof(F10A)=Sof(F11A)=Sof(F12A)=Sof(F13A)=Sof(F14A)=Sof(F15A)=Sof(F16A)=
 Sof(F17A)=Sof(F18A)=Sof(F19A)=Sof(F20A)=Sof(F21A)=Sof(F22A)=Sof(F23A)=
 Sof(F24A)=Sof(F25A)=Sof(F26A)=Sof(F27A)=Sof(F28A)=Sof(F29A)=Sof(F30A)=
 Sof(F31A)=Sof(F32A)=Sof(F33A)=Sof(F34A)=Sof(F35A)=Sof(F36A)=Sof(O1A)=Sof(O2A)=
 Sof(O3A)=Sof(O4A)=Sof(C35A)=Sof(C36A)=Sof(C37A)=Sof(C38A)=Sof(C39A)=Sof(C40A)=
 Sof(C41A)=Sof(C43A)=Sof(C44A)=Sof(C45A)=Sof(C46A)=Sof(C47A)=Sof(C48A)=
 Sof(C49A)=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=Sof(F9)=
 Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(F16)=Sof(F17)=
 Sof(F18)=Sof(F19)=Sof(F20)=Sof(F21)=Sof(F22)=Sof(F23)=Sof(F24)=Sof(F25)=
 Sof(F26)=Sof(F27)=Sof(F28)=Sof(F29)=Sof(F30)=Sof(F31)=Sof(F32)=Sof(F33)=
 Sof(F34)=Sof(F35)=Sof(F36)=Sof(O1)=Sof(O2)=Sof(O3)=Sof(O4)=Sof(C35)=Sof(C36)=
 Sof(C37)=Sof(C38)=Sof(C39)=Sof(C40)=Sof(C41)=Sof(C43)=Sof(C44)=Sof(C45)=
 Sof(C46)=Sof(C47)=Sof(C48)=Sof(C49)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C16(H16), C19(H19), C28(H28), C31(H31)
6.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C12(H12), C13(H13), C14(H14), C24(H24), C25(H25), C26(H26)
6.c Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C17(H17A,
 H17B,H17C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C),
 C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C)
;
_shelx_res_checksum              40524
_olex2_submission_special_instructions 'No special instructions were received'