#------------------------------------------------------------------------------
#$Date: 2019-11-17 12:38:56 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229920 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/68/7046879.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_7046879
loop_
_publ_author_name
'Rauch, Michael'
'Parkin, Gerard'
_publ_section_title
;
 Insertion of CS₂ into the Mg-H bond: synthesis and structural
 characterization of the magnesium dithioformate complex,
 [Tism<sup>PrⁱBenz</sup>]Mg(κ²-S₂CH).
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12596
_journal_page_last               12605
_journal_paper_doi               10.1039/c8dt01947a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C44 H58 Mg N6 S2 Si3'
_chemical_formula_weight         843.66
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-11 deposited with the CCDC.
2018-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.8445(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6398(6)
_cell_length_b                   18.9661(11)
_cell_length_c                   12.4507(7)
_cell_measurement_reflns_used    9909
_cell_measurement_temperature    158(2)
_cell_measurement_theta_max      30.61
_cell_measurement_theta_min      2.40
_cell_volume                     2235.7(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      158(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            37064
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         30.625
_diffrn_reflns_theta_min         1.665
_exptl_absorpt_coefficient_mu    0.252
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6636
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_description       block
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.482
_refine_diff_density_min         -0.348
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         7075
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0400P)²+0.8767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0908
_refine_ls_wR_factor_ref         0.0970
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5978
_reflns_number_total             7075
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt01947a2.cif
_cod_data_source_block           mgscshs10
_cod_depositor_comments          'Adding full bibliography for 7046879.cif.'
_cod_database_code               7046879
_shelx_shelxl_version_number     2014/7
_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   0.917
_shelx_estimated_absorpt_t_max   0.978
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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
Mg Mg 0.59536(5) 0.7500 0.19171(4) 0.01307(11) Uani 1 2 d S T P
S1 S 0.32789(4) 0.7500 0.20733(4) 0.02283(10) Uani 1 2 d S T P
S2 S 0.54815(5) 0.7500 0.40713(4) 0.02457(10) Uani 1 2 d S T P
Si1 Si 0.87205(4) 0.7500 0.08074(4) 0.01411(9) Uani 1 2 d S T P
Si2 Si 0.88783(3) 0.66656(2) 0.29743(3) 0.01523(7) Uani 1 1 d . . .
N11 N 0.57115(14) 0.7500 0.01698(11) 0.0145(2) Uani 1 2 d S T P
N12 N 0.66743(14) 0.7500 -0.13245(11) 0.0157(2) Uani 1 2 d S T P
N21 N 0.60968(10) 0.63457(5) 0.19344(8) 0.01502(18) Uani 1 1 d . . .
N22 N 0.72705(10) 0.53335(5) 0.23332(8) 0.01808(19) Uani 1 1 d . . .
C1 C 0.84579(15) 0.7500 0.22326(12) 0.0133(3) Uani 1 2 d S T P
C2 C 0.38125(19) 0.7500 0.34286(16) 0.0257(4) Uani 1 2 d S T P
H1 H 0.307(3) 0.7500 0.389(2) 0.041(7) Uiso 1 2 d S . P
C31 C 0.40253(19) 0.48530(9) -0.59389(13) 0.0388(4) Uani 1 1 d . . .
H31A H 0.3355 0.4750 -0.6582 0.047 Uiso 1 1 calc R U .
C32 C 0.4582(2) 0.55242(8) -0.57721(12) 0.0371(3) Uani 1 1 d . . .
H32A H 0.4298 0.5883 -0.6299 0.045 Uiso 1 1 calc R U .
C33 C 0.5554(2) 0.56693(8) -0.48328(13) 0.0395(4) Uani 1 1 d . . .
H33A H 0.5938 0.6130 -0.4715 0.047 Uiso 1 1 calc R U .
C101 C 0.96285(14) 0.66977(8) 0.03792(11) 0.0262(3) Uani 1 1 d . . .
H10D H 0.9615 0.6718 -0.0409 0.039 Uiso 1 1 calc R U .
H10E H 0.9135 0.6272 0.0550 0.039 Uiso 1 1 calc R U .
H10F H 1.0609 0.6685 0.0774 0.039 Uiso 1 1 calc R U .
C103 C 0.69244(16) 0.7500 -0.01968(12) 0.0144(3) Uani 1 2 d S T P
C104 C 0.46306(16) 0.7500 -0.07449(13) 0.0156(3) Uani 1 2 d S T P
C105 C 0.31662(18) 0.7500 -0.08164(15) 0.0209(3) Uani 1 2 d S T P
H10A H 0.2758 0.7500 -0.0179 0.025 Uiso 1 2 calc R U P
C106 C 0.23288(19) 0.7500 -0.18560(16) 0.0257(4) Uani 1 2 d S T P
H10G H 0.1330 0.7500 -0.1930 0.031 Uiso 1 2 calc R U P
C107 C 0.2931(2) 0.7500 -0.27982(16) 0.0266(4) Uani 1 2 d S T P
H10C H 0.2327 0.7500 -0.3496 0.032 Uiso 1 2 calc R U P
C108 C 0.43779(19) 0.7500 -0.27415(14) 0.0230(3) Uani 1 2 d S T P
H10B H 0.4780 0.7500 -0.3382 0.028 Uiso 1 2 calc R U P
C109 C 0.52241(17) 0.7500 -0.16926(13) 0.0169(3) Uani 1 2 d S T P
C110 C 0.77536(18) 0.7500 -0.20250(13) 0.0200(3) Uani 1 2 d S T P
H11A H 0.8699 0.7500 -0.1529 0.024 Uiso 1 2 calc R U P
C111 C 0.76652(16) 0.68334(8) -0.27128(12) 0.0327(3) Uani 1 1 d . . .
H11B H 0.8425 0.6834 -0.3137 0.049 Uiso 1 1 calc R U .
H11C H 0.6750 0.6816 -0.3212 0.049 Uiso 1 1 calc R U .
H11D H 0.7764 0.6420 -0.2233 0.049 Uiso 1 1 calc R U .
C201 C 1.06209(13) 0.62291(7) 0.29022(11) 0.0250(3) Uani 1 1 d . . .
H20B H 1.0951 0.5963 0.3576 0.038 Uiso 1 1 calc R U .
H20C H 1.1319 0.6590 0.2818 0.038 Uiso 1 1 calc R U .
H20D H 1.0496 0.5908 0.2275 0.038 Uiso 1 1 calc R U .
C202 C 0.88672(14) 0.66495(7) 0.44844(10) 0.0243(2) Uani 1 1 d . . .
H20E H 0.8874 0.6160 0.4736 0.036 Uiso 1 1 calc R U .
H20F H 0.8016 0.6887 0.4625 0.036 Uiso 1 1 calc R U .
H20G H 0.9706 0.6894 0.4879 0.036 Uiso 1 1 calc R U .
C203 C 0.73398(11) 0.60561(6) 0.23782(9) 0.0154(2) Uani 1 1 d . . .
C204 C 0.51863(12) 0.57869(6) 0.15873(9) 0.0160(2) Uani 1 1 d . . .
C205 C 0.37628(13) 0.57877(7) 0.10777(10) 0.0216(2) Uani 1 1 d . . .
H20A H 0.3253 0.6216 0.0928 0.026 Uiso 1 1 calc R U .
C206 C 0.31233(14) 0.51420(7) 0.07993(11) 0.0263(3) Uani 1 1 d . . .
H20H H 0.2153 0.5128 0.0465 0.032 Uiso 1 1 calc R U .
C207 C 0.38767(15) 0.45086(7) 0.10005(11) 0.0274(3) Uani 1 1 d . . .
H20J H 0.3414 0.4076 0.0776 0.033 Uiso 1 1 calc R U .
C208 C 0.52742(15) 0.44986(6) 0.15166(11) 0.0248(3) Uani 1 1 d . . .
H20I H 0.5782 0.4069 0.1659 0.030 Uiso 1 1 calc R U .
C209 C 0.59097(13) 0.51476(6) 0.18206(9) 0.0181(2) Uani 1 1 d . . .
C210 C 0.83880(14) 0.48494(6) 0.28571(11) 0.0243(3) Uani 1 1 d . . .
H21A H 0.9182 0.5146 0.3249 0.029 Uiso 1 1 calc R U .
C211 C 0.78766(17) 0.43961(8) 0.37162(13) 0.0349(3) Uani 1 1 d . . .
H21B H 0.8662 0.4110 0.4101 0.052 Uiso 1 1 calc R U .
H21C H 0.7115 0.4086 0.3359 0.052 Uiso 1 1 calc R U .
H21D H 0.7525 0.4701 0.4241 0.052 Uiso 1 1 calc R U .
C212 C 0.89678(17) 0.44180(8) 0.20073(14) 0.0372(3) Uani 1 1 d . . .
H21E H 0.9730 0.4112 0.2376 0.056 Uiso 1 1 calc R U .
H21F H 0.9336 0.4736 0.1508 0.056 Uiso 1 1 calc R U .
H21G H 0.8210 0.4128 0.1592 0.056 Uiso 1 1 calc R U .
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'
Mg Mg 0.0486 0.0363 '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'
S S 0.1246 0.1234 '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
N11 Mg N21 90.26(3) . .
N11 Mg N21 90.27(3) . 4_575
N21 Mg N21 172.91(5) . 4_575
N11 Mg C1 94.65(5) . .
N21 Mg C1 86.45(3) . .
N21 Mg C1 86.45(3) 4_575 .
N11 Mg S1 98.89(4) . .
N21 Mg S1 93.45(3) . .
N21 Mg S1 93.45(3) 4_575 .
C1 Mg S1 166.46(4) . .
N11 Mg S2 164.69(4) . .
N21 Mg S2 90.68(3) . .
N21 Mg S2 90.68(3) 4_575 .
C1 Mg S2 100.66(4) . .
S1 Mg S2 65.803(18) . .
N11 Mg Si1 60.42(4) . .
N21 Mg Si1 87.06(3) . .
N21 Mg Si1 87.06(3) 4_575 .
C1 Mg Si1 34.23(4) . .
S1 Mg Si1 159.31(2) . .
S2 Mg Si1 134.89(2) . .
C2 S1 Mg 87.41(7) . .
C2 S2 Mg 81.70(7) . .
C1 Si1 C101 115.41(5) . .
C1 Si1 C101 115.41(5) . 4_575
C101 Si1 C101 107.92(9) . 4_575
C1 Si1 C103 110.76(7) . .
C101 Si1 C103 102.96(5) . .
C101 Si1 C103 102.96(5) 4_575 .
C1 Si1 Mg 46.51(5) . .
C101 Si1 Mg 125.97(5) . .
C101 Si1 Mg 125.97(5) 4_575 .
C103 Si1 Mg 64.25(5) . .
C1 Si2 C202 118.26(6) . .
C1 Si2 C201 117.84(6) . .
C202 Si2 C201 102.27(6) . .
C1 Si2 C203 104.08(6) . .
C202 Si2 C203 103.16(6) . .
C201 Si2 C203 110.33(6) . .
C103 N11 C104 106.84(13) . .
C103 N11 Mg 114.36(10) . .
C104 N11 Mg 138.79(11) . .
C103 N12 C109 107.98(13) . .
C103 N12 C110 126.37(13) . .
C109 N12 C110 125.65(13) . .
C203 N21 C204 106.19(9) . .
C203 N21 Mg 117.59(7) . .
C204 N21 Mg 136.22(8) . .
C203 N22 C209 107.82(9) . .
C203 N22 C210 125.38(10) . .
C209 N22 C210 126.41(10) . .
Si2 C1 Si2 118.79(8) . 4_575
Si2 C1 Si1 115.30(5) . .
Si2 C1 Si1 115.30(5) 4_575 .
Si2 C1 Mg 101.80(5) . .
Si2 C1 Mg 101.80(5) 4_575 .
Si1 C1 Mg 99.25(7) . .
S2 C2 S1 125.09(11) . .
C32 C31 C33 119.97(15) . 3_664
C33 C32 C31 119.54(15) . .
C32 C33 C31 120.50(14) . 3_664
N11 C103 N12 110.61(13) . .
N11 C103 Si1 120.97(11) . .
N12 C103 Si1 128.42(11) . .
N11 C104 C105 130.08(15) . .
N11 C104 C109 109.08(13) . .
C105 C104 C109 120.84(15) . .
C106 C105 C104 117.50(17) . .
C105 C106 C107 121.27(16) . .
C108 C107 C106 121.94(16) . .
C107 C108 C109 116.84(17) . .
N12 C109 C108 132.90(16) . .
N12 C109 C104 105.48(13) . .
C108 C109 C104 121.62(15) . .
N12 C110 C111 111.18(10) . 4_575
N12 C110 C111 111.18(10) . .
C111 C110 C111 112.51(16) 4_575 .
N21 C203 N22 111.08(10) . .
N21 C203 Si2 118.66(8) . .
N22 C203 Si2 130.26(8) . .
N21 C204 C205 130.33(10) . .
N21 C204 C209 109.53(10) . .
C205 C204 C209 120.14(11) . .
C206 C205 C204 117.69(12) . .
C205 C206 C207 121.44(12) . .
C208 C207 C206 121.52(12) . .
C207 C208 C209 117.05(12) . .
N22 C209 C208 132.51(11) . .
N22 C209 C204 105.37(10) . .
C208 C209 C204 122.08(11) . .
N22 C210 C212 111.15(11) . .
N22 C210 C211 110.88(11) . .
C212 C210 C211 113.17(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mg N11 2.1439(14) .
Mg N21 2.1934(10) .
Mg N21 2.1935(10) 4_575
Mg C1 2.3718(16) .
Mg S1 2.6219(7) .
Mg S2 2.8036(7) .
Mg Si1 3.2265(7) .
S1 C2 1.669(2) .
S2 C2 1.657(2) .
Si1 C1 1.8390(16) .
Si1 C101 1.8819(13) .
Si1 C101 1.8819(13) 4_575
Si1 C103 1.9355(16) .
Si2 C1 1.8386(8) .
Si2 C202 1.8825(13) .
Si2 C201 1.8899(12) .
Si2 C203 1.9164(12) .
N11 C103 1.333(2) .
N11 C104 1.391(2) .
N12 C103 1.379(2) .
N12 C109 1.387(2) .
N12 C110 1.478(2) .
N21 C203 1.3392(14) .
N21 C204 1.3920(14) .
N22 C203 1.3729(14) .
N22 C209 1.3919(15) .
N22 C210 1.4712(15) .
C1 Si2 1.8387(8) 4_575
C31 C32 1.382(2) .
C31 C33 1.386(2) 3_664
C32 C33 1.382(2) .
C33 C31 1.386(2) 3_664
C104 C105 1.398(2) .
C104 C109 1.405(2) .
C105 C106 1.391(2) .
C106 C107 1.404(3) .
C107 C108 1.383(3) .
C108 C109 1.404(2) .
C110 C111 1.5204(16) 4_575
C110 C111 1.5204(16) .
C204 C205 1.3992(16) .
C204 C209 1.4017(16) .
C205 C206 1.3856(17) .
C206 C207 1.402(2) .
C207 C208 1.379(2) .
C208 C209 1.3950(16) .
C210 C212 1.525(2) .
C210 C211 1.525(2) .
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_4
C202 Si2 C1 Si2 29.24(11) . 4_575
C201 Si2 C1 Si2 -94.59(10) . 4_575
C203 Si2 C1 Si2 142.90(8) . 4_575
C202 Si2 C1 Si1 172.27(7) . .
C201 Si2 C1 Si1 48.44(10) . .
C203 Si2 C1 Si1 -74.07(8) . .
C202 Si2 C1 Mg -81.44(7) . .
C201 Si2 C1 Mg 154.72(6) . .
C203 Si2 C1 Mg 32.21(6) . .
C101 Si1 C1 Si2 -8.64(10) . .
C101 Si1 C1 Si2 -135.71(7) 4_575 .
C103 Si1 C1 Si2 107.83(7) . .
Mg Si1 C1 Si2 107.83(7) . .
C101 Si1 C1 Si2 135.71(7) . 4_575
C101 Si1 C1 Si2 8.64(10) 4_575 4_575
C103 Si1 C1 Si2 -107.83(7) . 4_575
Mg Si1 C1 Si2 -107.83(7) . 4_575
C101 Si1 C1 Mg -116.46(6) . .
C101 Si1 C1 Mg 116.46(6) 4_575 .
C103 Si1 C1 Mg 0.0 . .
Mg S2 C2 S1 0.000(0) . .
Mg S1 C2 S2 0.0 . .
C33 C31 C32 C33 -0.1(3) 3_664 .
C31 C32 C33 C31 0.1(3) . 3_664
C104 N11 C103 N12 0.0 . .
Mg N11 C103 N12 180.0 . .
C104 N11 C103 Si1 180.0 . .
Mg N11 C103 Si1 0.0 . .
C109 N12 C103 N11 0.000(0) . .
C110 N12 C103 N11 180.000(0) . .
C109 N12 C103 Si1 180.0 . .
C110 N12 C103 Si1 0.000(0) . .
C103 N11 C104 C105 180.0 . .
Mg N11 C104 C105 0.000(0) . .
C103 N11 C104 C109 0.0 . .
Mg N11 C104 C109 180.000(0) . .
N11 C104 C105 C106 180.0 . .
C109 C104 C105 C106 0.000(0) . .
C104 C105 C106 C107 0.000(0) . .
C105 C106 C107 C108 0.000(0) . .
C106 C107 C108 C109 0.000(0) . .
C103 N12 C109 C108 180.000(0) . .
C110 N12 C109 C108 0.000(0) . .
C103 N12 C109 C104 0.000(0) . .
C110 N12 C109 C104 180.000(0) . .
C107 C108 C109 N12 180.000(0) . .
C107 C108 C109 C104 0.000(0) . .
N11 C104 C109 N12 0.000(0) . .
C105 C104 C109 N12 180.0 . .
N11 C104 C109 C108 180.000(0) . .
C105 C104 C109 C108 0.000(0) . .
C103 N12 C110 C111 -116.90(11) . 4_575
C109 N12 C110 C111 63.10(11) . 4_575
C103 N12 C110 C111 116.90(11) . .
C109 N12 C110 C111 -63.10(11) . .
C204 N21 C203 N22 -0.05(12) . .
Mg N21 C203 N22 179.89(7) . .
C204 N21 C203 Si2 -179.22(8) . .
Mg N21 C203 Si2 0.72(11) . .
C209 N22 C203 N21 0.68(13) . .
C210 N22 C203 N21 -172.49(11) . .
C209 N22 C203 Si2 179.72(9) . .
C210 N22 C203 Si2 6.56(18) . .
C203 N21 C204 C205 179.48(12) . .
Mg N21 C204 C205 -0.45(19) . .
C203 N21 C204 C209 -0.59(12) . .
Mg N21 C204 C209 179.48(8) . .
N21 C204 C205 C206 178.61(12) . .
C209 C204 C205 C206 -1.32(18) . .
C204 C205 C206 C207 -1.15(19) . .
C205 C206 C207 C208 2.2(2) . .
C206 C207 C208 C209 -0.6(2) . .
C203 N22 C209 C208 176.70(13) . .
C210 N22 C209 C208 -10.2(2) . .
C203 N22 C209 C204 -1.00(13) . .
C210 N22 C209 C204 172.08(11) . .
C207 C208 C209 N22 -179.30(12) . .
C207 C208 C209 C204 -1.92(19) . .
N21 C204 C209 N22 0.99(13) . .
C205 C204 C209 N22 -179.08(10) . .
N21 C204 C209 C208 -177.01(11) . .
C205 C204 C209 C208 2.93(18) . .
C203 N22 C210 C212 -116.05(14) . .
C209 N22 C210 C212 72.04(16) . .
C203 N22 C210 C211 117.15(13) . .
C209 N22 C210 C211 -54.76(16) . .
