#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/94/7009470.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_7009470
loop_
_publ_author_name
'Bailey, Philip J.'
'Dick, Caroline M. E.'
'Fabre, Sylvie'
'Parsons, Simon'
_publ_section_title
;
 Synthesis and characterisation of magnesium methyl complexes with
 monoanionic chelating nitrogen donor ligands and their reaction with
 dioxygen
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1655
_journal_paper_doi               10.1039/b001316l
_journal_year                    2000
_chemical_formula_moiety         '[MgLMe(thf)].0.5C6H14'
_chemical_formula_sum            'C37 H59 Mg N2 O'
_chemical_formula_weight         572.17
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.00(3)
_cell_angle_beta                 96.17(3)
_cell_angle_gamma                95.19(2)
_cell_formula_units_Z            2
_cell_length_a                   9.136(3)
_cell_length_b                   12.690(5)
_cell_length_c                   16.004(6)
_cell_measurement_reflns_used    64
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      22
_cell_measurement_theta_min      20
_cell_volume                     1811.1(12)
_computing_cell_refinement       'Stoe DIF4'
_computing_data_collection       'Stoe DIF4'
_computing_data_reduction        'Stoe REDU4'
_computing_molecular_graphics    SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_method       Omega-theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1242
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5022
_diffrn_reflns_theta_full        60.08
_diffrn_reflns_theta_max         60.08
_diffrn_reflns_theta_min         2.82
_diffrn_standards_decay_%        -2
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.621
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.825
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.049
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             630
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.285
_refine_diff_density_min         -0.335
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         5022
_refine_ls_number_restraints     402
_refine_ls_restrained_S_all      0.932
_refine_ls_R_factor_all          0.1767
_refine_ls_R_factor_gt           0.0840
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1204P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1912
_refine_ls_wR_factor_ref         0.2445
_reflns_number_gt                2393
_reflns_number_total             5022
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b001316l.txt
_cod_data_source_block           mgsf68
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'Psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'geometric' was changed to
'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        1811.2(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009470
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg1 Mg 0.06144(17) 0.63400(14) 0.72390(11) 0.0398(5) Uani 1 1 d U . .
C1M C 0.2436(6) 0.6358(6) 0.6536(4) 0.0676(18) Uani 1 1 d U . .
H1M1 H 0.2528 0.5633 0.6261 0.101 Uiso 1 1 d R . .
H1M2 H 0.3333 0.6636 0.6917 0.101 Uiso 1 1 d R . .
H1M3 H 0.2286 0.6811 0.6107 0.101 Uiso 1 1 d R . .
N1 N 0.0451(4) 0.7411(3) 0.8325(3) 0.0377(10) Uani 1 1 d U . .
C1A C 0.1210(5) 0.8477(4) 0.8470(3) 0.0424(13) Uani 1 1 d U . .
C2A C 0.2733(6) 0.8628(4) 0.8799(4) 0.0537(15) Uani 1 1 d U . .
C3A C 0.3473(7) 0.9641(5) 0.8904(4) 0.0673(18) Uani 1 1 d U . .
H3A H 0.4478 0.9747 0.9131 0.081 Uiso 1 1 calc R . .
C4A C 0.2798(7) 1.0513(5) 0.8689(4) 0.0690(18) Uani 1 1 d U . .
H4A H 0.3331 1.1198 0.8768 0.083 Uiso 1 1 calc R . .
C5A C 0.1326(7) 1.0352(5) 0.8358(4) 0.0596(16) Uani 1 1 d U . .
H5A H 0.0859 1.0938 0.8209 0.072 Uiso 1 1 calc R . .
C6A C 0.0509(6) 0.9352(4) 0.8237(4) 0.0483(14) Uani 1 1 d U . .
C7A C 0.3525(6) 0.7708(5) 0.9054(5) 0.0679(18) Uani 1 1 d U . .
H7A H 0.2965 0.7035 0.8735 0.081 Uiso 1 1 calc R . .
C8A C 0.3498(8) 0.7677(6) 1.0005(6) 0.098(3) Uani 1 1 d U . .
H8A1 H 0.3981 0.7070 1.0154 0.147 Uiso 1 1 calc R . .
H8A2 H 0.2479 0.7605 1.0127 0.147 Uiso 1 1 calc R . .
H8A3 H 0.4015 0.8336 1.0337 0.147 Uiso 1 1 calc R . .
C9A C 0.5092(7) 0.7729(7) 0.8826(6) 0.102(3) Uani 1 1 d U . .
H9A1 H 0.5535 0.7115 0.8993 0.153 Uiso 1 1 calc R . .
H9A2 H 0.5671 0.8385 0.9123 0.153 Uiso 1 1 calc R . .
H9A3 H 0.5075 0.7701 0.8216 0.153 Uiso 1 1 calc R . .
C10A C -0.1099(7) 0.9235(5) 0.7852(4) 0.0671(18) Uani 1 1 d U . .
H10A H -0.1541 0.8508 0.7898 0.081 Uiso 1 1 calc R . .
C11A C -0.1182(9) 0.9312(6) 0.6906(5) 0.099(3) Uani 1 1 d U . .
H11A H -0.2211 0.9221 0.6657 0.148 Uiso 1 1 calc R . .
H11B H -0.0665 0.8754 0.6620 0.148 Uiso 1 1 calc R . .
H11C H -0.0724 1.0009 0.6841 0.148 Uiso 1 1 calc R . .
C12A C -0.1997(7) 1.0049(6) 0.8327(6) 0.094(2) Uani 1 1 d U . .
H12A H -0.1938 0.9967 0.8922 0.141 Uiso 1 1 calc R . .
H12B H -0.3024 0.9923 0.8073 0.141 Uiso 1 1 calc R . .
H12C H -0.1598 1.0771 0.8285 0.141 Uiso 1 1 calc R . .
C2 C -0.0365(5) 0.7135(4) 0.8923(3) 0.0393(12) Uani 1 1 d U . .
C2M C -0.0636(6) 0.7971(5) 0.9662(4) 0.0541(15) Uani 1 1 d U . .
H2M1 H -0.0940 0.8601 0.9448 0.081 Uiso 1 1 d R . .
H2M2 H 0.0267 0.8168 1.0055 0.081 Uiso 1 1 d R . .
H2M3 H -0.1411 0.7677 0.9957 0.081 Uiso 1 1 d R . .
C3 C -0.0956(5) 0.6086(4) 0.8940(3) 0.0411(12) Uani 1 1 d U . .
H3 H -0.1669 0.6028 0.9317 0.049 Uiso 1 1 calc R . .
C4 C -0.0662(5) 0.5099(4) 0.8485(3) 0.0388(12) Uani 1 1 d U . .
C4M C -0.1179(6) 0.4122(4) 0.8842(4) 0.0493(14) Uani 1 1 d U . .
H4M1 H -0.2251 0.4048 0.8806 0.074 Uiso 1 1 d R . .
H4M2 H -0.0755 0.4198 0.9434 0.074 Uiso 1 1 d R . .
H4M3 H -0.0863 0.3490 0.8517 0.074 Uiso 1 1 d R . .
N5 N 0.0069(4) 0.5024(3) 0.7799(3) 0.0384(10) Uani 1 1 d U . .
C1B C 0.0453(6) 0.3994(4) 0.7422(4) 0.0435(12) Uani 1 1 d U . .
C2B C 0.1963(6) 0.3790(4) 0.7578(4) 0.0458(13) Uani 1 1 d U . .
C3B C 0.2361(7) 0.2840(5) 0.7184(4) 0.0628(17) Uani 1 1 d U . .
H3B H 0.3345 0.2689 0.7295 0.075 Uiso 1 1 calc R . .
C4B C 0.1378(7) 0.2099(5) 0.6633(5) 0.0698(19) Uani 1 1 d U . .
H4B H 0.1690 0.1462 0.6360 0.084 Uiso 1 1 calc R . .
C5B C -0.0066(7) 0.2305(5) 0.6486(4) 0.0626(17) Uani 1 1 d U . .
H5B H -0.0740 0.1803 0.6106 0.075 Uiso 1 1 calc R . .
C6B C -0.0557(6) 0.3228(4) 0.6882(4) 0.0455(13) Uani 1 1 d U . .
C7B C 0.3070(6) 0.4581(5) 0.8192(4) 0.0548(15) Uani 1 1 d U . .
H7B H 0.2766 0.5306 0.8167 0.066 Uiso 1 1 calc R . .
C8B C 0.3048(8) 0.4394(7) 0.9100(5) 0.096(3) Uani 1 1 d U . .
H8B1 H 0.3748 0.4927 0.9477 0.144 Uiso 1 1 calc R . .
H8B2 H 0.3320 0.3683 0.9146 0.144 Uiso 1 1 calc R . .
H8B3 H 0.2061 0.4454 0.9261 0.144 Uiso 1 1 calc R . .
C9B C 0.4666(7) 0.4589(6) 0.7955(5) 0.089(2) Uani 1 1 d U . .
H9B1 H 0.5318 0.5121 0.8362 0.133 Uiso 1 1 calc R . .
H9B2 H 0.4684 0.4765 0.7387 0.133 Uiso 1 1 calc R . .
H9B3 H 0.4997 0.3886 0.7966 0.133 Uiso 1 1 calc R . .
C10B C -0.2172(6) 0.3405(5) 0.6706(4) 0.0547(15) Uani 1 1 d U . .
H10B H -0.2354 0.4064 0.7083 0.066 Uiso 1 1 calc R . .
C11B C -0.3211(6) 0.2441(5) 0.6878(5) 0.076(2) Uani 1 1 d U . .
H11D H -0.4234 0.2585 0.6777 0.114 Uiso 1 1 calc R . .
H11E H -0.2986 0.2342 0.7465 0.114 Uiso 1 1 calc R . .
H11F H -0.3061 0.1795 0.6499 0.114 Uiso 1 1 calc R . .
C12B C -0.2526(8) 0.3547(6) 0.5789(4) 0.085(2) Uani 1 1 d U . .
H12D H -0.3554 0.3680 0.5685 0.128 Uiso 1 1 calc R . .
H12E H -0.2362 0.2902 0.5414 0.128 Uiso 1 1 calc R . .
H12F H -0.1890 0.4152 0.5679 0.128 Uiso 1 1 calc R . .
O1T O -0.1246(4) 0.6446(3) 0.6413(2) 0.0511(10) Uani 1 1 d DU B .
C2T C -0.2753(5) 0.6429(5) 0.6624(4) 0.0573(16) Uani 1 1 d DU . .
H2T1 H -0.2797 0.6919 0.7157 0.069 Uiso 0.50 1 calc PR A 1
H2T2 H -0.3143 0.5703 0.6687 0.069 Uiso 0.50 1 calc PR A 1
H2T3 H -0.2908 0.7117 0.6958 0.069 Uiso 0.50 1 calc PR A 2
H2T4 H -0.2973 0.5856 0.6953 0.069 Uiso 0.50 1 calc PR A 2
C3T C -0.3606(13) 0.6784(16) 0.5896(9) 0.085(4) Uani 0.50 1 d PDU B 1
H3T1 H -0.4481 0.6268 0.5683 0.102 Uiso 0.50 1 calc PR B 1
H3T2 H -0.3944 0.7483 0.6087 0.102 Uiso 0.50 1 calc PR B 1
C4T C -0.2726(12) 0.6866(15) 0.5236(8) 0.065(4) Uani 0.50 1 d PDU B 1
H4T1 H -0.2608 0.7607 0.5131 0.078 Uiso 0.50 1 calc PR B 1
H4T2 H -0.3188 0.6401 0.4709 0.078 Uiso 0.50 1 calc PR B 1
C5T C -0.1233(6) 0.6519(6) 0.5519(4) 0.0631(17) Uani 1 1 d DU . .
H5T1 H -0.1102 0.5823 0.5190 0.076 Uiso 0.50 1 calc PR B 1
H5T2 H -0.0429 0.7049 0.5444 0.076 Uiso 0.50 1 calc PR B 1
H5T3 H -0.0724 0.5943 0.5235 0.076 Uiso 0.50 1 calc PR B 2
H5T4 H -0.0728 0.7211 0.5455 0.076 Uiso 0.50 1 calc PR B 2
C3T' C -0.3722(14) 0.6223(12) 0.5769(8) 0.066(5) Uiso 0.50 1 d PDU B 2
H3T3 H -0.4186 0.5479 0.5648 0.079 Uiso 0.50 1 calc PR B 2
H3T4 H -0.4506 0.6701 0.5779 0.079 Uiso 0.50 1 calc PR B 2
C4T' C -0.2833(13) 0.6411(15) 0.5146(9) 0.074(6) Uiso 0.50 1 d PDU B 2
H4T3 H -0.3059 0.7070 0.4936 0.089 Uiso 0.50 1 calc PR B 2
H4T4 H -0.3027 0.5815 0.4666 0.089 Uiso 0.50 1 calc PR B 2
C1S C 0.4286(11) 0.0036(13) 0.5189(10) 0.091(5) Uiso 0.50 1 d PDU . 1
H1S1 H 0.3449 -0.0257 0.4754 0.109 Uiso 0.50 1 calc PR . 1
H1S2 H 0.4169 0.0788 0.5399 0.109 Uiso 0.50 1 calc PR . 1
C2S C 0.431(2) -0.0617(17) 0.5939(13) 0.131(7) Uiso 0.50 1 d PDU C 1
H2S1 H 0.4668 -0.1317 0.5774 0.157 Uiso 0.50 1 calc PR C 1
H2S2 H 0.4953 -0.0225 0.6442 0.157 Uiso 0.50 1 calc PR C 1
C3S C 0.268(2) -0.0755(18) 0.6120(15) 0.145(8) Uiso 0.50 1 d PDU C 1
H3S1 H 0.2611 -0.1151 0.6588 0.218 Uiso 0.50 1 calc PR C 1
H3S2 H 0.2070 -0.1146 0.5615 0.218 Uiso 0.50 1 calc PR C 1
H3S3 H 0.2348 -0.0054 0.6270 0.218 Uiso 0.50 1 calc PR C 1
C1S' C 0.507(3) -0.031(2) 0.5357(13) 0.199(11) Uiso 0.50 1 d PDU . 2
H1S3 H 0.5827 0.0041 0.5821 0.239 Uiso 0.50 1 calc PR . 2
H1S4 H 0.5283 -0.1047 0.5165 0.239 Uiso 0.50 1 calc PR . 2
C2S' C 0.348(3) -0.028(3) 0.5620(16) 0.207(11) Uiso 0.50 1 d PDU D 2
H2S3 H 0.2789 -0.0866 0.5286 0.249 Uiso 0.50 1 calc PR D 2
H2S4 H 0.3104 0.0409 0.5571 0.249 Uiso 0.50 1 calc PR D 2
C3S' C 0.381(3) -0.0429(19) 0.6567(14) 0.160(9) Uiso 0.50 1 d PDU D 2
H3S4 H 0.2905 -0.0418 0.6831 0.240 Uiso 0.50 1 calc PR D 2
H3S5 H 0.4535 0.0148 0.6870 0.240 Uiso 0.50 1 calc PR D 2
H3S6 H 0.4202 -0.1112 0.6590 0.240 Uiso 0.50 1 calc PR D 2
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'
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'
Mg Mg 0.1719 0.1771 '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
N1 Mg1 N5 93.09(18) . . ?
N1 Mg1 O1T 105.12(16) . . ?
N5 Mg1 O1T 104.74(16) . . ?
N1 Mg1 C1M 124.7(2) . . ?
N5 Mg1 C1M 119.5(2) . . ?
O1T Mg1 C1M 107.3(2) . . ?
C2 N1 C1A 117.7(4) . . ?
C2 N1 Mg1 121.1(3) . . ?
C1A N1 Mg1 121.1(3) . . ?
C6A C1A C2A 119.7(5) . . ?
C6A C1A N1 121.6(4) . . ?
C2A C1A N1 118.6(4) . . ?
C3A C2A C1A 118.5(5) . . ?
C3A C2A C7A 120.3(5) . . ?
C1A C2A C7A 121.2(5) . . ?
C2A C3A C4A 122.6(6) . . ?
C5A C4A C3A 118.3(6) . . ?
C4A C5A C6A 122.2(6) . . ?
C5A C6A C1A 118.7(5) . . ?
C5A C6A C10A 118.9(5) . . ?
C1A C6A C10A 122.3(5) . . ?
C2A C7A C9A 113.2(6) . . ?
C2A C7A C8A 110.5(6) . . ?
C9A C7A C8A 111.0(6) . . ?
C6A C10A C11A 109.4(6) . . ?
C6A C10A C12A 112.6(6) . . ?
C11A C10A C12A 111.7(6) . . ?
N1 C2 C3 123.9(5) . . ?
N1 C2 C2M 120.5(5) . . ?
C3 C2 C2M 115.5(5) . . ?
C2 C3 C4 130.7(5) . . ?
N5 C4 C3 123.2(5) . . ?
N5 C4 C4M 121.6(5) . . ?
C3 C4 C4M 115.2(5) . . ?
C4 N5 C1B 119.6(4) . . ?
C4 N5 Mg1 121.8(3) . . ?
C1B N5 Mg1 118.6(3) . . ?
C6B C1B C2B 119.5(5) . . ?
C6B C1B N5 122.9(5) . . ?
C2B C1B N5 117.5(5) . . ?
C3B C2B C1B 118.0(5) . . ?
C3B C2B C7B 121.1(5) . . ?
C1B C2B C7B 120.8(5) . . ?
C2B C3B C4B 122.5(6) . . ?
C5B C4B C3B 118.9(6) . . ?
C4B C5B C6B 121.8(6) . . ?
C5B C6B C1B 119.2(5) . . ?
C5B C6B C10B 119.5(5) . . ?
C1B C6B C10B 121.3(5) . . ?
C8B C7B C2B 111.7(5) . . ?
C8B C7B C9B 110.0(5) . . ?
C2B C7B C9B 113.2(5) . . ?
C12B C10B C6B 109.9(5) . . ?
C12B C10B C11B 109.0(5) . . ?
C6B C10B C11B 111.3(5) . . ?
C5T O1T C2T 109.8(4) . . ?
C5T O1T Mg1 124.3(3) . . ?
C2T O1T Mg1 125.9(3) . . ?
O1T C2T C3T 104.8(6) . . ?
O1T C2T C3T' 104.8(6) . . ?
C3T C2T C3T' 27.1(9) . . ?
C4T C3T C2T 110.5(8) . . ?
C3T C4T C5T 107.2(8) . . ?
O1T C5T C4T' 105.7(6) . . ?
O1T C5T C4T 105.3(6) . . ?
C4T' C5T C4T 21.7(11) . . ?
C4T' C3T' C2T 108.2(9) . . ?
C3T' C4T' C5T 109.2(10) . . ?
C1S C1S C2S 108.7(16) 2_656 . ?
C3S C2S C1S 104.6(13) . . ?
C1S' C1S' C2S' 99(2) 2_656 . ?
C1S' C2S' C3S' 99.4(16) . . ?
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
Mg1 N1 2.061(5) . ?
Mg1 N5 2.063(5) . ?
Mg1 O1T 2.066(4) . ?
Mg1 C1M 2.107(6) . ?
N1 C2 1.344(6) . ?
N1 C1A 1.435(6) . ?
C1A C6A 1.411(7) . ?
C1A C2A 1.418(7) . ?
C2A C3A 1.375(8) . ?
C2A C7A 1.514(8) . ?
C3A C4A 1.386(8) . ?
C4A C5A 1.376(8) . ?
C5A C6A 1.388(8) . ?
C6A C10A 1.516(8) . ?
C7A C9A 1.514(9) . ?
C7A C8A 1.532(10) . ?
C10A C11A 1.526(10) . ?
C10A C12A 1.536(9) . ?
C2 C3 1.396(7) . ?
C2 C2M 1.518(7) . ?
C3 C4 1.410(7) . ?
C4 N5 1.341(6) . ?
C4 C4M 1.504(7) . ?
N5 C1B 1.442(6) . ?
C1B C6B 1.396(7) . ?
C1B C2B 1.429(7) . ?
C2B C3B 1.369(8) . ?
C2B C7B 1.513(8) . ?
C3B C4B 1.373(9) . ?
C4B C5B 1.371(8) . ?
C5B C6B 1.377(8) . ?
C6B C10B 1.515(7) . ?
C7B C8B 1.510(9) . ?
C7B C9B 1.545(8) . ?
C10B C12B 1.511(9) . ?
C10B C11B 1.558(8) . ?
O1T C5T 1.448(6) . ?
O1T C2T 1.453(6) . ?
C2T C3T 1.484(11) . ?
C2T C3T' 1.520(12) . ?
C3T C4T 1.405(13) . ?
C4T C5T 1.515(10) . ?
C5T C4T' 1.504(12) . ?
C3T' C4T' 1.386(14) . ?
C1S C1S 1.500(10) 2_656 ?
C1S C2S 1.561(15) . ?
C2S C3S 1.546(16) . ?
C1S' C1S' 1.490(10) 2_656 ?
C1S' C2S' 1.552(17) . ?
C2S' C3S' 1.557(17) . ?
