Sn368–: A 2.7 nm Naked Aromatic Tin Rod
Tkachenko, Nikolay V.; Chen, Wei-Xing; Morgan, Harry W. T.; Muñoz-castro, A.; Boldyrev, Alexander; Sun, Zhong-Ming; Chemical Communications  (2022) –; doi:10.1039/D2CC01745H

data_7130035
_publ_section_title
;
 Sn368--: A 2.7 nm Naked Aromatic Tin Rod
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC01745H
_journal_year                    2022
_chemical_formula_moiety
'C18 H35.16 K N2 O6, Sn18, C18 H34.2 K N2 O6, C16.99 H29.99 K N2 O6, C18 H33.72 K N2 O6'
_chemical_formula_sum            'C71.04 H133.07 K4 N8 O24 Sn18'
_chemical_formula_weight         3776.22
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2021-05-22
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-05-29 deposited with the CCDC.	2022-04-29 downloaded from the CCDC.
;
_cell_angle_alpha                85.023(2)
_cell_angle_beta                 85.230(2)
_cell_angle_gamma                75.808(2)
_cell_formula_units_Z            2
_cell_length_a                   15.2975(3)
_cell_length_b                   17.9538(3)
_cell_length_c                   23.1279(5)
_cell_measurement_reflns_used    16470
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.4910
_cell_measurement_theta_min      3.7140
_cell_volume                     6122.3(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0854
_diffrn_reflns_av_unetI/netI     0.1153
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            60010
_diffrn_reflns_point_group_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        66.000
_diffrn_reflns_theta_max         66.000
_diffrn_reflns_theta_min         3.428
_exptl_absorpt_coefficient_mu    30.301
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.40151
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'metallic yellowish green'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    2.048
_exptl_crystal_description       block
_exptl_crystal_F_000             3567
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.773
_refine_diff_density_min         -1.605
_refine_diff_density_rms         0.262
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1262
_refine_ls_number_reflns         20484
_refine_ls_number_restraints     5909
_refine_ls_restrained_S_all      0.856
_refine_ls_R_factor_all          0.1243
_refine_ls_R_factor_gt           0.0885
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1456P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2134
_refine_ls_wR_factor_ref         0.2418
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12687
_reflns_number_total             20484
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2cc01745h2.cif
_cod_data_source_block           1
_cod_database_code               7130035
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_max   0.313
_shelx_estimated_absorpt_t_min   0.171
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 C1-C2 = C1'-C2 = C3-C4 = C3'-C4 = C5-C6 = C5'-C6' = C11-C12
 1.53 with sigma of 0.01
 C7-C8 = C7'-C8' = C15-C16 = C15-C16' = C17-C18 = C17'-C18'
 1.53 with sigma of 0.01
 O1-C2 = O1-C3 = O1'-C2 = O1'-C3' = O2-C5 = O2-C5' = O3-C8
 1.43 with sigma of 0.01
 O3-C8' = O6-C16 = O6-C17 = O6'-C16' = O6'-C17'
 1.43 with sigma of 0.01
 N1-C1 = N1-C1' = N1-C13 = N1-C12 = N2-C6 = N2-C7
 1.49 with sigma of 0.01
 N2-C18 = N2'-C6' = N2'-C7' = N2'-C18'
 1.49 with sigma of 0.01
 C19-C20 = C21-C22 = C23-C24 = C25-C26 = C31-C32 = C33-C34
 1.53 with sigma of 0.01
 C19'-C20' = C21-C22' = C27-C28 = C29-C30 = C31'-C32' = C33-C34'
 1.53 with sigma of 0.01
 C35-C36 = C35'-C36
 1.53 with sigma of 0.01
 O7-C20 = O7-C20' = O8-C22 = O8-C22' = O8-C23 = O11-C35 = O11-C34
 1.43 with sigma of 0.01
 O12-C33 = O12-C32' = O9-C26 = O10-C28 = O10-C29 = O10'-C28
 1.43 with sigma of 0.01
 O10'-C29 = O11-C35' = O11-C34' = O12-C32
 1.43 with sigma of 0.01
 N3-C30 = N3-C31 = N3-C19 = N3'-C19' = N3'-C31' = N3'-C30
 1.49 with sigma of 0.01
 N4-C36 = N4-C25 = N4-C24
 1.49 with sigma of 0.01
 C24-C25 = C25-C36 = C24-C36 = C19-C31 = C19'-C31' = C19-C30 = C19'-C30
 2.46 with sigma of 0.01
 C37-C38 = C37'-C38' = C39'-C40' = C41-C42 = C41-C42'
 1.53 with sigma of 0.01
 C43-C44 = C43'-C44 = C45-C46 = C47-C48 = C47'-C48'
 1.53 with sigma of 0.01
 C37-N5 = C37'-N5' = C48-N5 = C48'-N5' = C49-N5 = C49-N5'
 1.49 with sigma of 0.01
 C42-N6 = C42'-N6 = C43-N6 = C43'-N6 = C54-N6 = C54'-N6
 1.49 with sigma of 0.01
 C38-O13 = C38'-O13 = C39-O13 = C39'-O13 = C40'-O14' = C41-O14
 1.43 with sigma of 0.01
 C41-O14' = C44-O15 = C46-O15 = C45-O16 = C45-O16' = C47-O16
 1.43 with sigma of 0.01
 C47'-O16' = C50-O17 = C50-O17' = C51-O17 = C51-O17' = C52-O18
 1.43 with sigma of 0.01
 C55-C56 = C55-C56' = C57-C58 = C59-C60 = C59'-C60
 1.53 with sigma of 0.01
 C61-C62 = C61'-C62 = C63-C64 = C65-C66 = C67-C68
 1.53 with sigma of 0.01
 C69-C70 = C69'-C70' = C71-C72 = C71'-C72
 1.53 with sigma of 0.01
 C55-N7 = C66-N7 = C67-N7 = C60-N8 = C60-N8'
 1.49 with sigma of 0.01
 C61-N8 = C61'-N8' = C72-N8 = C72-N8'
 1.49 with sigma of 0.01
 C56-O19 = C56'-O19 = C57-O19 = C58-O20 = C59-O20 = C59'-O20
 1.43 with sigma of 0.01
 C62-O21 = C63-O21 = C64-O22 = C65-O22 = C68-O24
 1.43 with sigma of 0.01
 C69-O24 = C69'-O24 = C70-O23 = C70'-O23 = C71-O23 = C71'-O23
 1.43 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C56 \\sim C56' \\sim N8 \\sim N8' \\sim O10 \\sim O10' \\sim O1 \\sim O1' \\sim
O17 \\sim O17': within 3.8A with sigma of 0.02 and sigma for terminal atoms of
0.04
C37 \\sim C37' \\sim C38 \\sim C39 \\sim C40 \\sim C38' \\sim C39' \\sim C40'
\\sim C41 \\sim C42 \\sim C43 \\sim C42' \\sim C43' \\sim C44 \\sim C45 \\sim
C46 \\sim C47 \\sim C48 \\sim C47' \\sim C48' \\sim C49 \\sim C50 \\sim C51
\\sim C52 \\sim C53 \\sim C54 \\sim C37' \\sim C38 \\sim C39 \\sim C40 \\sim
C38' \\sim C39' \\sim C40' \\sim C41 \\sim C42 \\sim C43 \\sim C42' \\sim C43'
\\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C47' \\sim C48' \\sim
C49 \\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C54' \\sim C59
\\sim C59' \\sim C60 \\sim C61' \\sim C63 \\sim C64 \\sim C65 \\sim C66 \\sim
C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71 \\sim C59' \\sim C60 \\sim C61'
\\sim C63 \\sim C64 \\sim C65 \\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70
\\sim C71 \\sim C69' \\sim C70' \\sim C71': within 3.8A with sigma of 0.02 and
sigma for terminal atoms of 0.04
C1 \\sim C1' \\sim C2 \\sim C3 \\sim C3' \\sim C4 \\sim C5 \\sim C6 \\sim C7
\\sim C8 \\sim C5' \\sim C6' \\sim C7' \\sim C8' \\sim C9 \\sim C10 \\sim C11
\\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim C1'
\\sim C2 \\sim C3 \\sim C3' \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim
C5' \\sim C6' \\sim C7' \\sim C8' \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim
C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim C19 \\sim C20 \\sim
C16' \\sim C17' \\sim C18' \\sim C19 \\sim C20 \\sim C16' \\sim C17' \\sim C18'
\\sim C19' \\sim C20' \\sim C21 \\sim C22 \\sim C22' \\sim C23 \\sim C25 \\sim
C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C31'
\\sim C32' \\sim C33 \\sim C34 \\sim C35 \\sim C36 \\sim C19' \\sim C20' \\sim
C21 \\sim C22 \\sim C22' \\sim C23 \\sim C25 \\sim C26 \\sim C27 \\sim C28
\\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C31' \\sim C32' \\sim C33 \\sim
C34 \\sim C35 \\sim C36 \\sim C34' \\sim C35': within 3.8A with sigma of 0.02
and sigma for terminal atoms of 0.04
O6 \\sim O6' \\sim O14 \\sim O14' \\sim O16 \\sim O16' \\sim N2 \\sim N2' \\sim
N3 \\sim N3' \\sim N5 \\sim N5': within 3.8A with sigma of 0.02 and sigma for
terminal atoms of 0.04
O7 \\sim O8: within 3.8A with sigma of 0.02 and sigma for terminal atoms of 0.04
All non-hydrogen atoms have similar U: within 3.8A with sigma of 0.03 and sigma
for terminal atoms of 0.06
Uanis(C59') \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(K2) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C37) = Uanis(C37')
Uanis(C71) = Uanis(C71')
Uanis(C70) = Uanis(C70')
Uanis(C69) = Uanis(C69')
Uanis(C61) = Uanis(C61')
Uanis(C59) = Uanis(C59')
Uanis(C54) = Uanis(C54')
Uanis(C48) = Uanis(C48')
Uanis(C47) = Uanis(C47')
Uanis(C43) = Uanis(C43')
Uanis(C42) = Uanis(C42')
Uanis(C40) = Uanis(C40')
Uanis(C39) = Uanis(C39')
Uanis(C38) = Uanis(C38')
Uanis(C35) = Uanis(C35')
Uanis(C34) = Uanis(C34')
Uanis(C32) = Uanis(C32')
Uanis(C31) = Uanis(C31')
Uanis(C22) = Uanis(C22')
Uanis(C20) = Uanis(C20')
Uanis(C19) = Uanis(C19')
Uanis(C18) = Uanis(C18')
Uanis(C17) = Uanis(C17')
Uanis(C16) = Uanis(C16')
Uanis(C8) = Uanis(C8')
Uanis(C7) = Uanis(C7')
Uanis(C6) = Uanis(C6')
Uanis(C5) = Uanis(C5')
Uanis(C3) = Uanis(C3')
Uanis(C1) = Uanis(C1')
Uanis(N5) = Uanis(N5')
Uanis(N3) = Uanis(N3')
Uanis(C56) = Uanis(C56')
Uanis(N8) = Uanis(N8')
Uanis(O17) = Uanis(O17')
Uanis(O10) = Uanis(O10')
Uanis(N2) = Uanis(N2')
Uanis(O16) = Uanis(O16')
Uanis(O14) = Uanis(O14')
Uanis(O1) = Uanis(O1')
Uanis(O6) = Uanis(O6')
4. Others
 Sof(O1')=Sof(O6')=Sof(N2')=Sof(C1')=Sof(H1'a)=Sof(H1'b)=Sof(C3')=Sof(H3'a)=
 Sof(H3'b)=Sof(C5')=Sof(H5'a)=Sof(H5'b)=Sof(C6')=Sof(H6'a)=Sof(H6'b)=Sof(C7')=
 Sof(H7'a)=Sof(H7'b)=Sof(C8')=Sof(H8'a)=Sof(H8'b)=Sof(H15c)=Sof(H15d)=Sof(C16')=
 Sof(H16c)=Sof(H16d)=Sof(C17')=Sof(H17c)=Sof(H17d)=Sof(C18')=Sof(H18c)=
 Sof(H18d)=1-FVAR(1)
 Sof(O1)=Sof(O6)=Sof(N2)=Sof(C1)=Sof(H1a)=Sof(H1b)=Sof(H2a)=Sof(H2b)=Sof(C3)=
 Sof(H3a)=Sof(H3b)=Sof(H4a)=Sof(H4b)=Sof(C5)=Sof(H5a)=Sof(H5b)=Sof(C6)=Sof(H6a)=
 Sof(H6b)=Sof(C7)=Sof(H7a)=Sof(H7b)=Sof(C8)=Sof(H8a)=Sof(H8b)=Sof(H15a)=
 Sof(H15b)=Sof(C16)=Sof(H16a)=Sof(H16b)=Sof(C17)=Sof(H17a)=Sof(H17b)=Sof(C18)=
 Sof(H18a)=Sof(H18b)=FVAR(1)
 Sof(O10')=Sof(N3')=Sof(C19')=Sof(H19c)=Sof(H19d)=Sof(C20')=Sof(H20c)=
 Sof(H20d)=Sof(H21c)=Sof(H21d)=Sof(C22')=Sof(H22c)=Sof(H22d)=Sof(H28a)=
 Sof(H28b)=Sof(H30c)=Sof(H30d)=Sof(C31')=Sof(H31c)=Sof(H31d)=Sof(C32')=
 Sof(H32c)=Sof(H32d)=Sof(H33c)=Sof(H33d)=Sof(C34')=Sof(H34c)=Sof(H34d)=
 Sof(C35')=1-FVAR(2)
 Sof(O10)=Sof(N3)=Sof(C19)=Sof(H19a)=Sof(H19b)=Sof(C20)=Sof(H20a)=Sof(H20b)=
 Sof(H21a)=Sof(H21b)=Sof(C22)=Sof(H22a)=Sof(H22b)=Sof(C25)=Sof(H25a)=Sof(H25b)=
 Sof(C26)=Sof(H26a)=Sof(H26b)=Sof(H29a)=Sof(H29b)=Sof(H30a)=Sof(H30b)=Sof(C31)=
 Sof(H31a)=Sof(H31b)=Sof(C32)=Sof(H32a)=Sof(H32b)=Sof(H33a)=Sof(H33b)=Sof(C34)=
 Sof(H34a)=Sof(H34b)=Sof(C35)=Sof(H35a)=Sof(H35b)=Sof(C36)=FVAR(2)
 Sof(O14')=Sof(O16')=Sof(O17')=Sof(N5')=Sof(C37')=Sof(H37c)=Sof(H37d)=
 Sof(C38')=Sof(H38c)=Sof(H38d)=Sof(C39')=Sof(H39c)=Sof(H39d)=Sof(C40')=
 Sof(H40c)=Sof(H40d)=Sof(C42')=Sof(H42c)=Sof(H42d)=Sof(C43')=Sof(H43c)=
 Sof(H43d)=Sof(H44c)=Sof(H44d)=Sof(H45c)=Sof(H45d)=Sof(C47')=Sof(H47c)=
 Sof(H47d)=Sof(C48')=Sof(H51c)=Sof(H51d)=Sof(H53c)=Sof(H53d)=Sof(C54')=
 Sof(H54c)=Sof(H54d)=1-FVAR(3)
 Sof(O14)=Sof(O16)=Sof(O17)=Sof(N5)=Sof(C37)=Sof(H37a)=Sof(H37b)=Sof(C38)=
 Sof(H38a)=Sof(H38b)=Sof(C39)=Sof(H39a)=Sof(H39b)=Sof(C40)=Sof(H40a)=Sof(H40b)=
 Sof(H41a)=Sof(H41b)=Sof(C42)=Sof(H42a)=Sof(H42b)=Sof(C43)=Sof(H43a)=Sof(H43b)=
 Sof(H44a)=Sof(H44b)=Sof(H45a)=Sof(H45b)=Sof(C47)=Sof(H47a)=Sof(H47b)=Sof(C48)=
 Sof(H48a)=Sof(H48b)=Sof(H49a)=Sof(H49b)=Sof(H50a)=Sof(H50b)=Sof(H51a)=
 Sof(H51b)=Sof(H53a)=Sof(H53b)=Sof(C54)=Sof(H54a)=Sof(H54b)=FVAR(3)
 Sof(N8')=Sof(H55c)=Sof(H55d)=Sof(C56')=Sof(H56c)=Sof(H56d)=Sof(C59')=
 Sof(H59c)=Sof(H59d)=Sof(H60c)=Sof(H60d)=Sof(C61')=Sof(H61c)=Sof(H61d)=
 Sof(C69')=Sof(H69c)=Sof(H69d)=Sof(C70')=Sof(H70c)=Sof(H70d)=Sof(C71')=
 Sof(H71c)=Sof(H71d)=Sof(H62c)=Sof(H62d)=1-FVAR(4)
 Sof(C61)=Sof(H61a)=Sof(H61b)=Sof(N8)=Sof(H55a)=Sof(H55b)=Sof(C56)=Sof(H56a)=
 Sof(H56b)=Sof(C59)=Sof(H59a)=Sof(H59b)=Sof(H60a)=Sof(H60b)=Sof(C69)=Sof(H69a)=
 Sof(H69b)=Sof(C70)=Sof(H70a)=Sof(H70b)=Sof(C71)=Sof(H71a)=Sof(H71b)=Sof(H72a)=
 Sof(H72b)=Sof(H62a)=Sof(H62b)=FVAR(4)
5.a Secondary CH2 refined with riding coordinates:
 C61(H61a,H61b), C1(H1a,H1b), C1'(H1'a,H1'b), C2(H2a,H2b), C3(H3a,H3b),
 C3'(H3'a,H3'b), C4(H4a,H4b), C5(H5a,H5b), C6(H6a,H6b), C7(H7a,H7b), C8(H8a,
 H8b), C5'(H5'a,H5'b), C6'(H6'a,H6'b), C7'(H7'a,H7'b), C8'(H8'a,H8'b), C9(H9a,
 H9b), C10(H10a,H10b), C11(H11a,H11b), C12(H12a,H12b), C13(H13a,H13b), C14(H14a,
 H14b), C15(H15a,H15b), C15(H15c,H15d), C16(H16a,H16b), C17(H17a,H17b),
 C18(H18a,H18b), C19(H19a,H19b), C20(H20a,H20b), C16'(H16c,H16d), C17'(H17c,
 H17d), C18'(H18c,H18d), C19'(H19c,H19d), C20'(H20c,H20d), C21(H21a,H21b),
 C21(H21c,H21d), C22(H22a,H22b), C22'(H22c,H22d), C23(H23a,H23b), C25(H25a,
 H25b), C26(H26a,H26b), C27(H27a,H27b), C28(H28a,H28b), C29(H29a,H29b),
 C30(H30a,H30b), C30(H30c,H30d), C31(H31a,H31b), C32(H32a,H32b), C31'(H31c,
 H31d), C32'(H32c,H32d), C33(H33a,H33b), C33(H33c,H33d), C34(H34a,H34b),
 C35(H35a,H35b), C34'(H34c,H34d), C37(H37a,H37b), C37'(H37c,H37d), C38(H38a,
 H38b), C39(H39a,H39b), C40(H40a,H40b), C38'(H38c,H38d), C39'(H39c,H39d),
 C40'(H40c,H40d), C41(H41a,H41b), C42(H42a,H42b), C43(H43a,H43b), C42'(H42c,
 H42d), C43'(H43c,H43d), C44(H44a,H44b), C44(H44c,H44d), C45(H45a,H45b),
 C45(H45c,H45d), C46(H46a,H46b), C47(H47a,H47b), C48(H48a,H48b), C47'(H47c,
 H47d), C49(H49a,H49b), C50(H50a,H50b), C51(H51a,H51b), C51(H51c,H51d),
 C52(H52a,H52b), C53(H53a,H53b), C53(H53c,H53d), C54(H54a,H54b), C54'(H54c,
 H54d), C55(H55a,H55b), C55(H55c,H55d), C56(H56a,H56b), C56'(H56c,H56d),
 C57(H57a,H57b), C58(H58a,H58b), C59(H59a,H59b), C59'(H59c,H59d), C60(H60a,
 H60b), C60(H60c,H60d), C61'(H61c,H61d), C63(H63a,H63b), C64(H64a,H64b),
 C65(H65a,H65b), C66(H66a,H66b), C67(H67a,H67b), C68(H68a,H68b), C69(H69a,H69b),
  C70(H70a,H70b), C71(H71a,H71b), C69'(H69c,H69d), C70'(H70c,H70d), C71'(H71c,
 H71d), C72(H72a,H72b), C62(H62a,H62b), C62(H62c,H62d), C24(H24a,H24b)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_shelx_res_checksum              20901
_shelx_fab_checksum              96373
_olex2_submission_special_instructions 'No special instructions were received'