#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:12:29 +0300 (Fri, 05 May 2023) $
#$Revision: 283047 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/12/7131247.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7131247
loop_
_publ_author_name
'Köstler, Benedikt'
'Gilmer, Jannik'
'Bolte, Michael'
'Virovets, Alexander'
'Lerner, Hans-Wolfram'
'Albert, Philipp'
'Fantuzzi, Felipe'
'Wagner, Matthias'
_publ_section_title
;
 Group IV heteroadamantanes: synthesis of Si₆Sn₄ and
 site-selective derivatization of Si₆Ge₄.
;
_journal_issue                   16
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2295
_journal_page_last               2298
_journal_paper_doi               10.1039/d2cc06697a
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety
'(C20 H60 Cl4 Ge4 Si10)0.142 (C22 H66 Cl2 Ge5 Si9)0.858'
_chemical_formula_sum            'C21.72 H65.15 Cl2.28 Ge4.86 Si9.14'
_chemical_formula_weight         1016.83
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-01-10 deposited with the CCDC.	2023-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.1568(11)
_cell_length_b                   18.8562(10)
_cell_length_c                   15.1154(9)
_cell_measurement_reflns_used    1952
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.5350
_cell_measurement_theta_min      4.4060
_cell_volume                     4890.0(5)
_computing_cell_refinement       'CrysAlisPro 1.171.42.43a (Rigaku OD, 2022)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'CrysAlisPro 1.171.42.43a (Rigaku OD, 2022)'
_computing_molecular_graphics    Diamond
_computing_publication_material  'IUCr PublCIF online service'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'image plate'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE image plate (34 cm diameter)'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0703
_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9822
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.700
_diffrn_reflns_theta_min         3.960
_diffrn_source                   'Genix 3D I\mS microfocus X-ray source'
_exptl_absorpt_coefficient_mu    3.315
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74725
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.43a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_description       plate
_exptl_crystal_F_000             2071
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.507
_refine_diff_density_min         -0.462
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     111
_refine_ls_number_reflns         2490
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0342P)²+1.0401P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0864
_refine_ls_wR_factor_ref         0.0995
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1674
_reflns_number_total             2490
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc06697a3.cif
_cod_data_source_block           wa3012_AV
_cod_depositor_comments
'Adding full bibliography for 7131246--7131250.cif.'
_cod_database_code               7131247
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.587
_shelx_estimated_absorpt_t_max   0.852
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, y+1/2, z'
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 0.000000 0.45020(5) 0.250000 0.0325(3) Uani 0.889(5) 4 d S T P A 1
C11 C 0.000000 0.5120(3) 0.3553(4) 0.064(2) Uani 0.889(5) 2 d S T P A 1
H11A H -0.033541 0.553209 0.344461 0.097 Uiso 0.444(3) 1 calc R U P A 1
H11B H 0.053259 0.528143 0.367372 0.097 Uiso 0.444(3) 1 calc R U P A 1
H11C H -0.019718 0.485504 0.406345 0.097 Uiso 0.444(3) 1 calc R U P A 1
Si1G Si 0.000000 0.45020(5) 0.250000 0.0325(3) Uani 0.111(5) 4 d S T P A 2
Cl11 Cl 0.000000 0.5120(3) 0.3553(4) 0.064(2) Uani 0.111(5) 2 d S T P A 2
Ge2 Ge 0.11463(3) 0.30462(2) 0.12237(3) 0.03323(17) Uani 0.889(3) 1 d . . P A 1
C21 C 0.1188(3) 0.36343(19) 0.0134(2) 0.0612(13) Uani 0.889(3) 1 d . . P A 1
H21A H 0.167626 0.390345 0.012372 0.092 Uiso 0.889(3) 1 calc R U P A 1
H21B H 0.074585 0.396363 0.012872 0.092 Uiso 0.889(3) 1 calc R U P A 1
H21C H 0.116145 0.332597 -0.038667 0.092 Uiso 0.889(3) 1 calc R U P A 1
C22 C 0.2083(2) 0.24405(19) 0.1223(3) 0.0562(12) Uani 0.889(3) 1 d . . P A 1
H22A H 0.209637 0.215933 0.067810 0.084 Uiso 0.889(3) 1 calc R U P A 1
H22B H 0.206767 0.212204 0.173532 0.084 Uiso 0.889(3) 1 calc R U P A 1
H22C H 0.254946 0.273883 0.125589 0.084 Uiso 0.889(3) 1 calc R U P A 1
Si2G Si 0.11463(3) 0.30462(2) 0.12237(3) 0.03323(17) Uani 0.111(3) 1 d . . P A 2
Cl21 Cl 0.1188(3) 0.36343(19) 0.0134(2) 0.0612(13) Uani 0.111(3) 1 d . . P A 2
Cl22 Cl 0.2083(2) 0.24405(19) 0.1223(3) 0.0562(12) Uani 0.111(3) 1 d . . P A 2
Ge3 Ge 0.000000 0.16301(7) 0.250000 0.0331(5) Uani 0.414(5) 4 d S T P A 1
C31 C 0.09434(18) 0.09883(13) 0.250000 0.0606(9) Uani 0.414(5) 2 d S T P A 1
H31A H 0.141839 0.127706 0.250000 0.091 Uiso 0.414(5) 2 calc R U P A 1
H31B H 0.093470 0.068839 0.302937 0.091 Uiso 0.207(2) 1 calc R U P A 1
H31C H 0.093470 0.068839 0.197063 0.091 Uiso 0.207(2) 1 calc R U P A 1
Si3G Si 0.000000 0.16301(7) 0.250000 0.0331(5) Uani 0.586(5) 4 d S T P A 2
Cl31 Cl 0.09434(18) 0.09883(13) 0.250000 0.0606(9) Uani 0.586(5) 2 d S T P A 2
Si1 Si 0.11558(10) 0.37962(8) 0.250000 0.0313(4) Uani 1 2 d S T P . .
Si3 Si 0.22646(11) 0.45340(9) 0.250000 0.0416(5) Uani 1 2 d S T P A .
C311 C 0.3176(5) 0.3994(4) 0.250000 0.083(3) Uani 1 2 d S T P . .
H31D H 0.360379 0.427518 0.225168 0.124 Uiso 0.5 1 calc R U P A .
H31E H 0.309781 0.356779 0.214044 0.124 Uiso 0.5 1 calc R U P . .
H31F H 0.330450 0.385677 0.310788 0.124 Uiso 0.5 1 calc R U P . .
C312 C 0.2274(4) 0.5092(3) 0.3517(4) 0.096(2) Uani 1 1 d . . . . .
H31G H 0.275505 0.537274 0.353278 0.144 Uiso 1 1 calc R U . A .
H31H H 0.225017 0.478634 0.404013 0.144 Uiso 1 1 calc R U . . .
H31I H 0.182341 0.541095 0.351177 0.144 Uiso 1 1 calc R U . . .
Si2 Si 0.000000 0.23236(8) 0.11857(11) 0.0331(4) Uani 1 2 d S T P . .
Si4 Si 0.000000 0.15855(10) -0.00734(12) 0.0517(5) Uani 1 2 d S T P A .
C411 C 0.0875(5) 0.1016(4) -0.0081(5) 0.127(3) Uani 1 1 d . . . . .
H41A H 0.088049 0.072005 0.045185 0.191 Uiso 1 1 calc R U . A .
H41B H 0.134322 0.131317 -0.009369 0.191 Uiso 1 1 calc R U . . .
H41C H 0.086589 0.071104 -0.060670 0.191 Uiso 1 1 calc R U . . .
C412 C 0.000000 0.2116(5) -0.1104(5) 0.122(5) Uani 1 2 d S T P . .
H41D H 0.046046 0.242364 -0.111436 0.183 Uiso 0.5 1 calc R U P A .
H41E H 0.001164 0.179770 -0.161605 0.183 Uiso 1 2 calc R U P . .
H41F H -0.047209 0.240821 -0.112673 0.183 Uiso 0.5 1 calc R U P . .
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'
Cl Cl 0.1484 0.1585 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C11 Ge1 C11 107.5(4) . 10_556 ?
C11 Ge1 Si1 109.23(9) . . ?
C11 Ge1 Si1 109.23(9) 10_556 . ?
C11 Ge1 Si1 109.23(9) . 3 ?
C11 Ge1 Si1 109.23(9) 10_556 3 ?
Si1 Ge1 Si1 112.27(8) . 3 ?
Ge1 C11 H11A 109.5 . . ?
Ge1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Ge1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Ge1 C11 H11A 109.5(12) . 12 ?
H11A C11 H11A 71.9 . 12 ?
H11B C11 H11A 40.4 . 12 ?
H11C C11 H11A 137.6 . 12 ?
Ge1 C11 H11B 109.5(4) . 12 ?
H11A C11 H11B 40.4 . 12 ?
H11B C11 H11B 137.6 . 12 ?
H11C C11 H11B 71.9 . 12 ?
H11A C11 H11B 109.5 12 12 ?
Ge1 C11 H11C 109.5(9) . 12 ?
H11A C11 H11C 137.6 . 12 ?
H11B C11 H11C 71.9 . 12 ?
H11C C11 H11C 40.4 . 12 ?
H11A C11 H11C 109.5 12 12 ?
H11B C11 H11C 109.5 12 12 ?
Cl11 Si1G Si1 109.23(9) . . ?
Si1 Si1G Si1 112.27(8) . 3 ?
H11A Cl11 H11B 109.5 12 12 ?
H11A Cl11 H11C 109.5 12 12 ?
H11B Cl11 H11C 109.5 12 12 ?
C22 Ge2 C21 107.10(18) . . ?
C22 Ge2 Si1 109.72(12) . . ?
C21 Ge2 Si1 109.77(11) . . ?
C22 Ge2 Si2 109.86(12) . . ?
C21 Ge2 Si2 109.11(13) . . ?
Si1 Ge2 Si2 111.20(6) . . ?
Ge2 C21 H21A 109.5 . . ?
Ge2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Ge2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Ge2 C22 H22A 109.5 . . ?
Ge2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Ge2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Cl22 Si2G Cl21 107.10(18) . . ?
Cl22 Si2G Si1 109.72(12) . . ?
Cl21 Si2G Si1 109.77(11) . . ?
Cl22 Si2G Si2 109.86(12) . . ?
Cl21 Si2G Si2 109.11(13) . . ?
Si1 Si2G Si2 111.20(6) . . ?
C31 Ge3 C31 106.43(18) . 3 ?
C31 Ge3 Si2 109.22(4) . . ?
C31 Ge3 Si2 109.22(4) 3 . ?
C31 Ge3 Si2 109.22(4) . 10_556 ?
C31 Ge3 Si2 109.22(4) 3 10_556 ?
Si2 Ge3 Si2 113.29(9) . 10_556 ?
Ge3 C31 H31A 109.5 . . ?
Ge3 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Ge3 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Cl31 Si3G Si2 109.22(4) . . ?
Si2 Si3G Si2 113.29(9) . 10_556 ?
H31B Cl31 H31C 109.5 10_556 10_556 ?
Si3 Si1 Ge1 109.96(8) . . ?
Si3 Si1 Si1G 109.96(8) . . ?
Si3 Si1 Ge2 110.76(6) . . ?
Ge1 Si1 Ge2 108.89(5) . . ?
Si3 Si1 Si2G 110.76(6) . . ?
Si1G Si1 Si2G 108.89(5) . . ?
Si3 Si1 Ge2 110.76(6) . 10_556 ?
Ge1 Si1 Ge2 108.89(5) . 10_556 ?
Ge2 Si1 Ge2 107.51(6) . 10_556 ?
C312 Si3 C312 111.2(5) 10_556 . ?
C312 Si3 C311 107.5(3) 10_556 . ?
C312 Si3 C311 107.5(3) . . ?
C312 Si3 Si1 109.93(19) 10_556 . ?
C312 Si3 Si1 109.93(19) . . ?
C311 Si3 Si1 110.8(3) . . ?
Si3 C311 H31D 109.5 . . ?
Si3 C311 H31E 109.5 . . ?
H31D C311 H31E 109.5 . . ?
Si3 C311 H31F 109.5 . . ?
H31D C311 H31F 109.5 . . ?
H31E C311 H31F 109.5 . . ?
Si3 C311 H31D 109.5(9) . 10_556 ?
H31D C311 H31D 45.0 . 10_556 ?
H31E C311 H31D 139.3 . 10_556 ?
H31F C311 H31D 67.4 . 10_556 ?
Si3 C311 H31E 109.5(12) . 10_556 ?
H31D C311 H31E 139.3 . 10_556 ?
H31E C311 H31E 67.4 . 10_556 ?
H31F C311 H31E 45.0 . 10_556 ?
H31D C311 H31E 109.5 10_556 10_556 ?
Si3 C311 H31F 109.5(2) . 10_556 ?
H31D C311 H31F 67.4 . 10_556 ?
H31E C311 H31F 45.0 . 10_556 ?
H31F C311 H31F 139.3 . 10_556 ?
H31D C311 H31F 109.5 10_556 10_556 ?
H31E C311 H31F 109.5 10_556 10_556 ?
Si3 C312 H31G 109.5 . . ?
Si3 C312 H31H 109.5 . . ?
H31G C312 H31H 109.5 . . ?
Si3 C312 H31I 109.5 . . ?
H31G C312 H31I 109.5 . . ?
H31H C312 H31I 109.5 . . ?
Si4 Si2 Si3G 110.47(8) . . ?
Si4 Si2 Ge3 110.47(8) . . ?
Si4 Si2 Ge2 110.82(5) . 12 ?
Ge3 Si2 Ge2 107.04(5) . 12 ?
Si4 Si2 Si2G 110.82(5) . . ?
Si3G Si2 Si2G 107.04(5) . . ?
Si4 Si2 Ge2 110.82(5) . . ?
Ge3 Si2 Ge2 107.04(5) . . ?
Ge2 Si2 Ge2 110.52(6) 12 . ?
C411 Si4 C411 108.8(5) 12 . ?
C411 Si4 C412 108.0(3) 12 . ?
C411 Si4 C412 108.0(3) . . ?
C411 Si4 Si2 110.4(2) 12 . ?
C411 Si4 Si2 110.4(2) . . ?
C412 Si4 Si2 111.1(3) . . ?
Si4 C411 H41A 109.5 . . ?
Si4 C411 H41B 109.5 . . ?
H41A C411 H41B 109.5 . . ?
Si4 C411 H41C 109.5 . . ?
H41A C411 H41C 109.5 . . ?
H41B C411 H41C 109.5 . . ?
Si4 C412 H41D 109.5 . . ?
Si4 C412 H41E 109.5 . . ?
H41D C412 H41E 109.5 . . ?
Si4 C412 H41F 109.5 . . ?
H41D C412 H41F 109.5 . . ?
H41E C412 H41F 109.5 . . ?
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 C11 1.973(5) . ?
Ge1 C11 1.973(5) 10_556 ?
Ge1 Si1 2.3882(18) . ?
Ge1 Si1 2.3883(18) 3 ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 H11A 0.98(6) 12 ?
C11 H11B 0.980(17) 12 ?
C11 H11C 0.98(4) 12 ?
Si1G Cl11 1.973(5) . ?
Si1G Si1 2.3882(18) . ?
Si1G Si1 2.3883(18) 3 ?
Ge2 C22 1.971(4) . ?
Ge2 C21 1.986(3) . ?
Ge2 Si1 2.3921(10) . ?
Ge2 Si2 2.3933(10) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Si2G Cl22 1.971(4) . ?
Si2G Cl21 1.986(3) . ?
Si2G Si1 2.3921(10) . ?
Si2G Si2 2.3933(10) . ?
Ge3 C31 2.021(3) . ?
Ge3 C31 2.021(3) 3 ?
Ge3 Si2 2.3784(17) . ?
Ge3 Si2 2.3784(17) 10_556 ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
Si3G Cl31 2.021(3) . ?
Si3G Si2 2.3784(17) . ?
Si3G Si2 2.3784(17) 10_556 ?
Si1 Si3 2.357(2) . ?
Si3 C312 1.863(5) 10_556 ?
Si3 C312 1.863(5) . ?
Si3 C311 1.865(8) . ?
C311 H31D 0.9800 . ?
C311 H31E 0.9800 . ?
C311 H31F 0.9800 . ?
C311 H31D 0.98(4) 10_556 ?
C311 H31E 0.98(6) 10_556 ?
C311 H31F 0.980(12) 10_556 ?
C312 H31G 0.9800 . ?
C312 H31H 0.9800 . ?
C312 H31I 0.9800 . ?
Si2 Si4 2.358(2) . ?
Si4 C411 1.846(7) 12 ?
Si4 C411 1.846(7) . ?
Si4 C412 1.851(9) . ?
C411 H41A 0.9800 . ?
C411 H41B 0.9800 . ?
C411 H41C 0.9800 . ?
C412 H41D 0.9800 . ?
C412 H41E 0.9800 . ?
C412 H41F 0.9800 . ?
