#------------------------------------------------------------------------------
#$Date: 2020-10-06 11:32:31 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257500 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/54/7705422.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_7705422
loop_
_publ_author_name
'Rösch, Andreas'
'Schreiner, Simon H. F.'
'Schüler, Philipp'
'Görls, Helmar'
'Kretschmer, Robert'
_publ_section_title
;
 Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the
 ligand backbone and bridging groups on the coordination behaviour.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13072
_journal_page_last               13082
_journal_paper_doi               10.1039/d0dt01923b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C52 H88 I2 Mg2 N4 O4'
_chemical_formula_sum            'C52 H88 I2 Mg2 N4 O4'
_chemical_formula_weight         1135.68
_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_method           SHELXL-2018/3
_audit_update_record
;
2020-05-03 deposited with the CCDC.	2020-08-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.728(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.7508(1)
_cell_length_b                   15.3921(1)
_cell_length_c                   14.5516(1)
_cell_measurement_reflns_used    36332
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      74.451
_cell_measurement_theta_min      3.517
_cell_volume                     2814.85(4)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            36332
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.451
_diffrn_reflns_theta_min         3.517
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    9.326
_exptl_absorpt_correction_T_max  0.737
_exptl_absorpt_correction_T_min  0.522
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015) 
Numerical absorption correction based on gaussian integration over 
   a multifaceted crystal model 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1180
_exptl_crystal_size_max          0.215
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.088
_refine_diff_density_max         1.721
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         5684
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0427P)²+2.1032P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0813
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5237
_reflns_number_total             5684
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01923b2.cif
_cod_data_source_block           FO7067_3a
_cod_depositor_comments
'Adding full bibliography for 7705422--7705428.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705422
_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   0.239
_shelx_estimated_absorpt_t_max   0.494
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'
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
I1 I 0.43760(2) 0.75306(2) 0.40100(2) 0.02893(7) Uani 1 1 d . . . . .
Mg1 Mg 0.37646(5) 0.60843(4) 0.29226(5) 0.01685(14) Uani 1 1 d . . . . .
O1 O 0.30608(13) 0.68860(10) 0.17756(11) 0.0255(3) Uani 1 1 d . . . . .
O2 O 0.49247(12) 0.57539(10) 0.21758(12) 0.0276(3) Uani 1 1 d . . . . .
N1 N 0.25141(12) 0.52221(10) 0.29159(12) 0.0157(3) Uani 1 1 d . . . . .
N2 N 0.40287(14) 0.50264(11) 0.38732(13) 0.0206(4) Uani 1 1 d . . . . .
C1 C 0.15268(15) 0.50378(13) 0.23474(14) 0.0173(4) Uani 1 1 d . . . . .
C2 C 0.06348(16) 0.55550(15) 0.24368(15) 0.0235(4) Uani 1 1 d . . . . .
C3 C -0.03235(17) 0.54008(17) 0.18320(17) 0.0308(5) Uani 1 1 d . . . . .
H3A H -0.093029 0.574130 0.188989 0.037 Uiso 1 1 calc R U . . .
C4 C -0.04076(18) 0.47660(18) 0.11538(18) 0.0336(5) Uani 1 1 d . . . . .
H4A H -0.106980 0.466298 0.076036 0.040 Uiso 1 1 calc R U . . .
C5 C 0.04781(18) 0.42806(16) 0.10504(16) 0.0278(5) Uani 1 1 d . . . . .
H5A H 0.042299 0.385394 0.057293 0.033 Uiso 1 1 calc R U . . .
C6 C 0.14536(16) 0.44081(13) 0.16378(15) 0.0203(4) Uani 1 1 d . . . . .
C7 C 0.06932(18) 0.62576(17) 0.31733(18) 0.0325(5) Uani 1 1 d . . . . .
H7A H 0.141290 0.622260 0.357062 0.039 Uiso 1 1 calc R U . . .
C8 C -0.0131(3) 0.6131(2) 0.3810(2) 0.0473(7) Uani 1 1 d . . . . .
H8A H -0.004264 0.555433 0.409805 0.071 Uiso 1 1 calc R U . . .
H8B H -0.084771 0.618091 0.344333 0.071 Uiso 1 1 calc R U . . .
H8C H -0.003295 0.657692 0.429804 0.071 Uiso 1 1 calc R U . . .
C9 C 0.0585(3) 0.71585(19) 0.2734(2) 0.0448(7) Uani 1 1 d . . . . .
H9A H 0.117662 0.726068 0.239665 0.067 Uiso 1 1 calc R U . . .
H9B H 0.059828 0.759752 0.322373 0.067 Uiso 1 1 calc R U . . .
H9C H -0.009008 0.719699 0.229928 0.067 Uiso 1 1 calc R U . . .
C10 C 0.24111(17) 0.38695(14) 0.14812(16) 0.0240(4) Uani 1 1 d . . . . .
H10A H 0.299041 0.395977 0.202832 0.029 Uiso 1 1 calc R U . . .
C11 C 0.2166(2) 0.28967(15) 0.14052(19) 0.0343(5) Uani 1 1 d . . . . .
H11A H 0.183307 0.271475 0.193384 0.051 Uiso 1 1 calc R U . . .
H11B H 0.282802 0.257188 0.141163 0.051 Uiso 1 1 calc R U . . .
H11C H 0.167916 0.278031 0.082155 0.051 Uiso 1 1 calc R U . . .
C12 C 0.2834(2) 0.41523(18) 0.0603(2) 0.0387(6) Uani 1 1 d . . . . .
H12A H 0.306611 0.475943 0.066823 0.058 Uiso 1 1 calc R U . . .
H12B H 0.226883 0.409468 0.005934 0.058 Uiso 1 1 calc R U . . .
H12C H 0.343754 0.378374 0.051963 0.058 Uiso 1 1 calc R U . . .
C13 C 0.30373(15) 0.47510(12) 0.36346(14) 0.0164(4) Uani 1 1 d . . . . .
C14 C 0.25421(16) 0.40105(13) 0.41494(15) 0.0199(4) Uani 1 1 d . . . . .
C15 C 0.2655(2) 0.42537(16) 0.51877(16) 0.0291(5) Uani 1 1 d . . . . .
H15A H 0.231940 0.380512 0.551772 0.044 Uiso 1 1 calc R U . . .
H15B H 0.230759 0.481354 0.524837 0.044 Uiso 1 1 calc R U . . .
H15C H 0.341151 0.429712 0.545800 0.044 Uiso 1 1 calc R U . . .
C16 C 0.31084(18) 0.31417(14) 0.40163(17) 0.0273(5) Uani 1 1 d . . . . .
H16A H 0.281445 0.268138 0.436276 0.041 Uiso 1 1 calc R U . . .
H16B H 0.387217 0.320114 0.424965 0.041 Uiso 1 1 calc R U . . .
H16C H 0.299712 0.299225 0.335228 0.041 Uiso 1 1 calc R U . . .
C17 C 0.13482(16) 0.38489(15) 0.38166(17) 0.0265(5) Uani 1 1 d . . . . .
H17A H 0.109613 0.340572 0.421099 0.040 Uiso 1 1 calc R U . . .
H17B H 0.123325 0.364779 0.316833 0.040 Uiso 1 1 calc R U . . .
H17C H 0.095439 0.439024 0.385830 0.040 Uiso 1 1 calc R U . . .
C18 C 0.48399(16) 0.46706(14) 0.46071(15) 0.0228(4) Uani 1 1 d . . . . .
H18A H 0.547502 0.450667 0.433792 0.027 Uiso 1 1 calc R U . . .
H18B H 0.456163 0.413936 0.486481 0.027 Uiso 1 1 calc R U . . .
C19 C 0.2550(2) 0.65109(16) 0.09032(17) 0.0323(5) Uani 1 1 d . . . . .
H19A H 0.214880 0.598159 0.101495 0.039 Uiso 1 1 calc R U . . .
H19B H 0.308362 0.635613 0.050914 0.039 Uiso 1 1 calc R U . . .
C20 C 0.1802(2) 0.7210(2) 0.0437(2) 0.0453(7) Uani 1 1 d . . . . .
H20A H 0.175073 0.718913 -0.024872 0.054 Uiso 1 1 calc R U . . .
H20B H 0.108144 0.713975 0.059524 0.054 Uiso 1 1 calc R U . . .
C21 C 0.2305(3) 0.80529(19) 0.0828(2) 0.0446(7) Uani 1 1 d . . . . .
H21A H 0.256057 0.839432 0.033272 0.053 Uiso 1 1 calc R U . . .
H21B H 0.178632 0.840749 0.109902 0.053 Uiso 1 1 calc R U . . .
C22 C 0.3221(3) 0.77920(17) 0.1568(2) 0.0476(8) Uani 1 1 d . . . . .
H22A H 0.390359 0.786922 0.133958 0.057 Uiso 1 1 calc R U . . .
H22B H 0.323405 0.815200 0.213332 0.057 Uiso 1 1 calc R U . . .
C23 C 0.55836(19) 0.63787(16) 0.17878(19) 0.0326(5) Uani 1 1 d . . . . .
H23A H 0.561127 0.693735 0.212826 0.039 Uiso 1 1 calc R U . . .
H23B H 0.530348 0.648554 0.112055 0.039 Uiso 1 1 calc R U . . .
C24 C 0.6669(2) 0.59660(17) 0.1906(2) 0.0389(6) Uani 1 1 d . . . . .
H24A H 0.706644 0.616056 0.141484 0.047 Uiso 1 1 calc R U . . .
H24B H 0.709070 0.610199 0.252524 0.047 Uiso 1 1 calc R U . . .
C25 C 0.6415(3) 0.5018(2) 0.1817(4) 0.0777(15) Uani 1 1 d . . . . .
H25A H 0.633396 0.483374 0.115679 0.093 Uiso 1 1 calc R U . . .
H25B H 0.698908 0.467075 0.218772 0.093 Uiso 1 1 calc R U . . .
C26 C 0.5414(2) 0.49010(16) 0.2169(2) 0.0384(6) Uani 1 1 d . . . . .
H26A H 0.493941 0.449958 0.176071 0.046 Uiso 1 1 calc R U . . .
H26B H 0.555286 0.465522 0.280692 0.046 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 0.0181 0.0091 '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'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.1719 0.1771 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O2 Mg1 N1 117.62(7) . . ?
O2 Mg1 N2 96.09(7) . . ?
N1 Mg1 N2 63.26(6) . . ?
O2 Mg1 O1 88.55(7) . . ?
N1 Mg1 O1 98.29(7) . . ?
N2 Mg1 O1 161.01(7) . . ?
O2 Mg1 C13 111.25(7) . . ?
N1 Mg1 C13 32.05(6) . . ?
N2 Mg1 C13 31.32(6) . . ?
O1 Mg1 C13 130.34(7) . . ?
O2 Mg1 I1 110.21(5) . . ?
N1 Mg1 I1 131.31(6) . . ?
N2 Mg1 I1 104.23(5) . . ?
O1 Mg1 I1 91.29(5) . . ?
C13 Mg1 I1 120.22(5) . . ?
C19 O1 C22 105.04(17) . . ?
C19 O1 Mg1 121.35(13) . . ?
C22 O1 Mg1 131.35(14) . . ?
C23 O2 C26 108.54(17) . . ?
C23 O2 Mg1 124.08(14) . . ?
C26 O2 Mg1 125.35(14) . . ?
C13 N1 C1 128.26(16) . . ?
C13 N1 Mg1 93.50(12) . . ?
C1 N1 Mg1 137.69(13) . . ?
C13 N2 C18 126.76(18) . . ?
C13 N2 Mg1 92.03(12) . . ?
C18 N2 Mg1 140.98(14) . . ?
C6 C1 C2 120.07(18) . . ?
C6 C1 N1 120.64(18) . . ?
C2 C1 N1 118.98(18) . . ?
C3 C2 C1 118.5(2) . . ?
C3 C2 C7 119.9(2) . . ?
C1 C2 C7 121.56(18) . . ?
C4 C3 C2 121.6(2) . . ?
C4 C3 H3A 119.2 . . ?
C2 C3 H3A 119.2 . . ?
C3 C4 C5 119.6(2) . . ?
C3 C4 H4A 120.2 . . ?
C5 C4 H4A 120.2 . . ?
C4 C5 C6 121.0(2) . . ?
C4 C5 H5A 119.5 . . ?
C6 C5 H5A 119.5 . . ?
C5 C6 C1 119.1(2) . . ?
C5 C6 C10 119.0(2) . . ?
C1 C6 C10 121.91(18) . . ?
C2 C7 C9 111.3(2) . . ?
C2 C7 C8 112.4(2) . . ?
C9 C7 C8 110.4(2) . . ?
C2 C7 H7A 107.5 . . ?
C9 C7 H7A 107.5 . . ?
C8 C7 H7A 107.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C11 112.58(19) . . ?
C6 C10 C12 111.96(19) . . ?
C11 C10 C12 108.3(2) . . ?
C6 C10 H10A 107.9 . . ?
C11 C10 H10A 107.9 . . ?
C12 C10 H10A 107.9 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 N1 110.85(17) . . ?
N2 C13 C14 123.79(17) . . ?
N1 C13 C14 125.31(17) . . ?
N2 C13 Mg1 56.66(10) . . ?
N1 C13 Mg1 54.45(10) . . ?
C14 C13 Mg1 173.28(14) . . ?
C17 C14 C15 105.79(18) . . ?
C17 C14 C16 106.19(17) . . ?
C15 C14 C16 111.38(18) . . ?
C17 C14 C13 115.32(17) . . ?
C15 C14 C13 108.43(16) . . ?
C16 C14 C13 109.70(17) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C18 111.3(2) . 3_666 ?
N2 C18 H18A 109.4 . . ?
C18 C18 H18A 109.4 3_666 . ?
N2 C18 H18B 109.4 . . ?
C18 C18 H18B 109.4 3_666 . ?
H18A C18 H18B 108.0 . . ?
O1 C19 C20 105.3(2) . . ?
O1 C19 H19A 110.7 . . ?
C20 C19 H19A 110.7 . . ?
O1 C19 H19B 110.7 . . ?
C20 C19 H19B 110.7 . . ?
H19A C19 H19B 108.8 . . ?
C21 C20 C19 104.2(2) . . ?
C21 C20 H20A 110.9 . . ?
C19 C20 H20A 110.9 . . ?
C21 C20 H20B 110.9 . . ?
C19 C20 H20B 110.9 . . ?
H20A C20 H20B 108.9 . . ?
C22 C21 C20 105.6(2) . . ?
C22 C21 H21A 110.6 . . ?
C20 C21 H21A 110.6 . . ?
C22 C21 H21B 110.6 . . ?
C20 C21 H21B 110.6 . . ?
H21A C21 H21B 108.8 . . ?
O1 C22 C21 106.7(2) . . ?
O1 C22 H22A 110.4 . . ?
C21 C22 H22A 110.4 . . ?
O1 C22 H22B 110.4 . . ?
C21 C22 H22B 110.4 . . ?
H22A C22 H22B 108.6 . . ?
O2 C23 C24 104.89(19) . . ?
O2 C23 H23A 110.8 . . ?
C24 C23 H23A 110.8 . . ?
O2 C23 H23B 110.8 . . ?
C24 C23 H23B 110.8 . . ?
H23A C23 H23B 108.8 . . ?
C25 C24 C23 102.7(2) . . ?
C25 C24 H24A 111.2 . . ?
C23 C24 H24A 111.2 . . ?
C25 C24 H24B 111.2 . . ?
C23 C24 H24B 111.2 . . ?
H24A C24 H24B 109.1 . . ?
C26 C25 C24 106.2(3) . . ?
C26 C25 H25A 110.5 . . ?
C24 C25 H25A 110.5 . . ?
C26 C25 H25B 110.5 . . ?
C24 C25 H25B 110.5 . . ?
H25A C25 H25B 108.7 . . ?
O2 C26 C25 106.9(2) . . ?
O2 C26 H26A 110.3 . . ?
C25 C26 H26A 110.3 . . ?
O2 C26 H26B 110.3 . . ?
C25 C26 H26B 110.3 . . ?
H26A C26 H26B 108.6 . . ?
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
I1 Mg1 2.7661(7) . ?
Mg1 O2 2.0423(17) . ?
Mg1 N1 2.0733(17) . ?
Mg1 N2 2.1263(18) . ?
Mg1 O1 2.1466(16) . ?
Mg1 C13 2.544(2) . ?
O1 C19 1.446(3) . ?
O1 C22 1.449(3) . ?
O2 C23 1.453(3) . ?
O2 C26 1.454(3) . ?
N1 C13 1.352(2) . ?
N1 C1 1.413(2) . ?
N2 C13 1.323(3) . ?
N2 C18 1.462(3) . ?
C1 C6 1.408(3) . ?
C1 C2 1.412(3) . ?
C2 C3 1.400(3) . ?
C2 C7 1.516(3) . ?
C3 C4 1.380(4) . ?
C3 H3A 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H4A 0.9500 . ?
C5 C6 1.399(3) . ?
C5 H5A 0.9500 . ?
C6 C10 1.524(3) . ?
C7 C9 1.523(4) . ?
C7 C8 1.527(4) . ?
C7 H7A 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.530(3) . ?
C10 C12 1.532(4) . ?
C10 H10A 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.555(3) . ?
C14 C17 1.538(3) . ?
C14 C15 1.540(3) . ?
C14 C16 1.547(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C18 1.531(4) 3_666 ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.519(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.515(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.503(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.506(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.495(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.464(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
