#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:36:45 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178787 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/41/4104103.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_4104103
loop_
_publ_author_name
'Jacob Overgaard'
'Cameron Jones'
'Andreas Stasch'
'Bo B. Iversen'
_publ_contact_author_address
;
Department of Chemistry
Aarhus University
Langelandsgade 140
DK-8000 Aarhus C
;
_publ_contact_author_email       jacobo@chem.au.dk
_publ_contact_author_fax         '+45 8619 6199'
_publ_contact_author_name        'Overgaard, Jacob'
_publ_contact_author_phone       '+45 8942 3891'
_publ_section_title
;
 Experimental Electron Density Study of the Mg-Mg Bonding Character in a
 Magnesium(I) Dimer
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4208
_journal_page_last               4209
_journal_paper_doi               10.1021/ja900385u
_journal_volume                  131
_journal_year                    2009
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C58 H82 Mg2 N4'
_chemical_formula_sum            'C58 H82 Mg2 N4'
_chemical_formula_weight         883.9
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2009-01-23T09:26:47-00:00
_audit_creation_method           'XD routine XDCIF'
_cell_angle_alpha                90
_cell_angle_beta                 94.957(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.4252(8)
_cell_length_b                   14.2019(8)
_cell_length_c                   26.7176(15)
_cell_measurement_reflns_used    1000
_cell_measurement_temperature    89(2)
_cell_measurement_theta_max      35
_cell_measurement_theta_min      3
_cell_measurement_wavelength     0.71073
_cell_volume                     5453.0(5)
_computing_molecular_graphics    'Koritsanszky et al, (2003)'
_computing_publication_material  'Koritsanszky et al, (2003)'
_computing_structure_refinement  'Koritsanszky et al, (2003)'
_diffrn_ambient_temperature      89(2)
_diffrn_detector_area_resol_mean 12.00
_diffrn_detector_type            'APEX2 charged-coupled device'
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Bruker X8 APEX-II diffractometer'
_diffrn_measurement_method
;
            Narrow slices collected using φ- and ω-scans
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            341001
_diffrn_reflns_theta_full        45.334
_diffrn_reflns_theta_max         45.334
_diffrn_reflns_theta_min         1.417
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.077
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1928
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.481
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.476
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1405
_refine_ls_number_reflns         29170
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.037
_refine_ls_shift/su_max          0.0008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
     calc w2 = 1/[s²(Fo²)]
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0678
_reflns_number_gt                36113
_reflns_number_total             45446
_reflns_threshold_expression     >0σ(I)
_cod_data_source_file            ja900385u_si_002.cif
_cod_data_source_block           08jo0039_0m
_cod_database_code               4104103
loop_
_symmetry_equiv_pos_as_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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
MG(1) 0.184480(10) 0.408930(10) 0.378450(10) 0.012 1
MG(2) 0.308330(10) 0.263040(10) 0.414110(10) 0.013 1
N(1) 0.17496(3) 0.55426(4) 0.380110(10) 0.013 1
N(2) 0.05101(3) 0.39665(4) 0.345130(10) 0.011 1
N(3) 0.43175(3) 0.21973(3) 0.38778(2) 0.014 1
N(4) 0.32582(3) 0.17229(3) 0.47485(2) 0.013 1
C(1) 0.08866(4) 0.70222(4) 0.38980(2) 0.02 1
C(2) 0.09291(3) 0.59814(4) 0.37833(2) 0.013 1
C(3) 0.00641(3) 0.55498(4) 0.36448(2) 0.013 1
C(4) -0.01244(3) 0.46432(4) 0.344660(10) 0.012 1
C(5) -0.10983(3) 0.44753(4) 0.32076(2) 0.017 1
C(6) 0.25721(3) 0.61165(3) 0.38440(2) 0.014 1
C(7) 0.31435(3) 0.61454(4) 0.43006(2) 0.016 1
C(8) 0.39459(4) 0.67031(4) 0.43297(3) 0.022 1
C(9) 0.41924(4) 0.72123(5) 0.39180(3) 0.025 1
C(10) 0.36348(4) 0.71653(4) 0.34674(3) 0.023 1
C(11) 0.28244(3) 0.66247(4) 0.34209(2) 0.017 1
C(12) 0.28890(4) 0.56249(4) 0.47651(2) 0.017 1
C(13) 0.37222(4) 0.51094(6) 0.50317(3) 0.026 1
C(14) 0.24596(5) 0.63021(6) 0.51246(3) 0.029 1
C(15) 0.22644(4) 0.65812(5) 0.29135(2) 0.02 1
C(16) 0.27600(6) 0.59548(7) 0.25543(3) 0.034 1
C(17) 0.20862(5) 0.75553(6) 0.26791(3) 0.029 1
C(18) 0.02970(3) 0.30811(4) 0.32121(2) 0.012 1
C(19) -0.01464(3) 0.23601(4) 0.34667(2) 0.014 1
C(20) -0.02367(3) 0.14706(4) 0.32431(2) 0.017 1
C(21) 0.00789(4) 0.12931(4) 0.27747(2) 0.019 1
C(22) 0.04947(3) 0.20143(5) 0.25234(2) 0.019 1
C(23) 0.06191(3) 0.29094(4) 0.27363(2) 0.015 1
C(24) -0.05247(3) 0.25158(4) 0.39740(2) 0.015 1
C(25) 0.01144(4) 0.20787(6) 0.43983(2) 0.026 1
C(26) -0.15113(4) 0.21221(5) 0.39839(2) 0.023 1
C(27) 0.10953(4) 0.36632(4) 0.24471(2) 0.019 1
C(28) 0.21009(5) 0.33824(6) 0.23715(3) 0.028 1
C(29) 0.05538(6) 0.38592(5) 0.19401(2) 0.027 1
C(30) 0.59513(3) 0.16619(5) 0.39837(2) 0.022 1
C(31) 0.50087(3) 0.18322(4) 0.41755(2) 0.015 1
C(32) 0.49191(3) 0.15638(3) 0.46775(2) 0.016 1
C(33) 0.41075(3) 0.14402(3) 0.49266(2) 0.014 1
C(34) 0.42309(4) 0.09149(5) 0.54199(2) 0.019 1
C(35) 0.44348(3) 0.23612(6) 0.33597(2) 0.02 1
C(36) 0.40158(4) 0.17163(7) 0.30029(2) 0.029 1
C(37) 0.40902(5) 0.18942(10) 0.24940(3) 0.045 1
C(38) 0.45448(5) 0.26970(12) 0.23380(3) 0.053 1
C(39) 0.49394(5) 0.33272(9) 0.26923(3) 0.045 1
C(40) 0.48964(4) 0.31735(7) 0.32060(2) 0.026 1
C(41) 0.34956(6) 0.08530(7) 0.31738(3) 0.033 1
C(42) 0.41532(9) 0.00563(9) 0.33646(5) 0.055 1
C(43) 0.27652(6) 0.04845(9) 0.27746(4) 0.045 1
C(44) 0.53284(4) 0.38982(6) 0.35762(3) 0.025 1
C(45) 0.47924(6) 0.48299(8) 0.35376(4) 0.045 1
C(46) 0.63533(4) 0.40777(7) 0.34997(3) 0.032 1
C(47) 0.24919(3) 0.13957(4) 0.50099(2) 0.014 1
C(48) 0.20791(3) 0.05172(4) 0.48774(2) 0.017 1
C(49) 0.13415(4) 0.01952(5) 0.51386(2) 0.022 1
C(50) 0.10144(4) 0.07203(6) 0.55253(2) 0.024 1
C(51) 0.14128(4) 0.15897(5) 0.56463(2) 0.021 1
C(52) 0.21451(3) 0.19440(4) 0.53920(2) 0.016 1
C(53) 0.24019(4) -0.00773(5) 0.44531(3) 0.021 1
C(54) 0.17125(6) 0.00031(8) 0.39872(3) 0.036 1
C(55) 0.25289(5) -0.11145(5) 0.46006(4) 0.032 1
C(56) 0.25245(4) 0.29139(5) 0.55343(2) 0.02 1
C(57) 0.28711(6) 0.29843(6) 0.60912(3) 0.033 1
C(58) 0.17755(5) 0.36610(5) 0.54022(3) 0.028 1
H(1A) 0.14352 0.72025 0.41715 0.04 1
H(1B) 0.024 0.71835 0.40392 0.041 1
H(1C) 0.09549 0.74158 0.35656 0.041 1
H(3) -0.05415 0.59774 0.36973 0.031 1
H(5A) -0.10759 0.43405 0.28182 0.036 1
H(5B) -0.15138 0.50792 0.32569 0.037 1
H(5C) -0.13937 0.38874 0.33803 0.035 1
H(8) 0.43853 0.67372 0.4679 0.039 1
H(9) 0.48131 0.76447 0.39478 0.042 1
H(10) 0.38332 0.75568 0.31455 0.04 1
H(12) 0.23695 0.51015 0.4647 0.026 1
H(13A) 0.40147 0.46482 0.47755 0.04 1
H(13B) 0.35028 0.47165 0.5338 0.041 1
H(13C) 0.42306 0.56084 0.51674 0.044 1
H(14A) 0.29441 0.6841 0.52351 0.046 1
H(14B) 0.2285 0.59289 0.54475 0.043 1
H(14C) 0.18487 0.66069 0.4943 0.041 1
H(15) 0.15967 0.62647 0.29662 0.03 1
H(16A) 0.34131 0.62547 0.24907 0.047 1
H(16B) 0.23455 0.58947 0.22079 0.046 1
H(16C) 0.28655 0.5276 0.27151 0.042 1
H(17A) 0.18152 0.80095 0.2946 0.046 1
H(17B) 0.16032 0.74945 0.2358 0.047 1
H(17C) 0.27214 0.78337 0.25706 0.048 1
H(20) -0.05583 0.09064 0.34389 0.034 1
H(21) -0.00002 0.06003 0.26071 0.036 1
H(22) 0.07271 0.18799 0.21554 0.038 1
H(24) -0.05521 0.32673 0.40399 0.026 1
H(25A) 0.01446 0.13391 0.43459 0.041 1
H(25B) -0.01516 0.22228 0.47483 0.043 1
H(25C) 0.07927 0.23669 0.43965 0.037 1
H(26A) -0.19497 0.24271 0.36881 0.042 1
H(26B) -0.17724 0.22829 0.43332 0.047 1
H(26C) -0.14982 0.1381 0.39349 0.045 1
H(27) 0.11144 0.43064 0.26655 0.031 1
H(28A) 0.24801 0.32836 0.27259 0.045 1
H(28B) 0.2421 0.39194 0.21706 0.053 1
H(28C) 0.21019 0.27451 0.21643 0.05 1
H(29A) 0.05394 0.32428 0.17152 0.05 1
H(29B) 0.08846 0.44076 0.17529 0.053 1
H(29C) -0.01373 0.4063 0.1996 0.046 1
H(30A) 0.58634 0.13924 0.36123 0.045 1
H(30B) 0.6331 0.1172 0.42209 0.045 1
H(30C) 0.63229 0.23066 0.39841 0.044 1
H(32) 0.55671 0.14344 0.49028 0.034 1
H(34A) 0.39177 0.13007 0.57007 0.039 1
H(34B) 0.49502 0.0825 0.55289 0.041 1
H(34C) 0.39083 0.02448 0.53781 0.04 1
H(37) 0.37938 0.14043 0.22136 0.044 1
H(38) 0.45891 0.28285 0.19415 0.045 1
H(39) 0.52899 0.39461 0.25655 0.044 1
H(41) 0.31314 0.10723 0.3492 0.036 1
H(42A) 0.45937 -0.01087 0.30788 0.056 1
H(42B) 0.37654 -0.05515 0.34456 0.058 1
H(42C) 0.45761 0.02853 0.36862 0.047 1
H(43A) 0.2296 0.10333 0.26582 0.053 1
H(43B) 0.23924 -0.00788 0.29241 0.06 1
H(43C) 0.30952 0.024 0.24594 0.058 1
H(44) 0.52904 0.36242 0.39521 0.03 1
H(45A) 0.48231 0.51167 0.31727 0.051 1
H(45B) 0.50963 0.53112 0.38077 0.049 1
H(45C) 0.40872 0.47103 0.36034 0.044 1
H(46A) 0.67218 0.34304 0.3524 0.05 1
H(46B) 0.66435 0.45428 0.3782 0.052 1
H(46C) 0.64083 0.43799 0.31404 0.055 1
H(49) 0.10218 -0.04766 0.50387 0.04 1
H(50) 0.04522 0.04571 0.57299 0.04 1
H(51) 0.11499 0.2 0.59451 0.038 1
H(53) 0.30672 0.01923 0.43587 0.032 1
H(54A) 0.10504 -0.02447 0.40727 0.048 1
H(54B) 0.19481 -0.04103 0.36927 0.052 1
H(54C) 0.16565 0.0717 0.38715 0.043 1
H(55A) 0.29821 -0.11674 0.4934 0.05 1
H(55B) 0.28228 -0.14822 0.43069 0.057 1
H(55C) 0.18738 -0.14148 0.466 0.054 1
H(56) 0.31062 0.30548 0.53148 0.03 1
H(57A) 0.23012 0.29183 0.63146 0.05 1
H(57B) 0.32032 0.36429 0.61636 0.051 1
H(57C) 0.33529 0.24341 0.61845 0.046 1
H(58A) 0.15853 0.36511 0.50097 0.042 1
H(58B) 0.20423 0.43354 0.55073 0.049 1
H(58C) 0.11826 0.35183 0.55987 0.047 1
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
MG(2) MG(1) N(1) 139.463(14) 1_555 1_555 1_555 yes
MG(2) MG(1) N(2) 128.323(16) 1_555 1_555 1_555 yes
N(1) MG(1) N(2) 91.85(2) 1_555 1_555 1_555 yes
MG(1) MG(2) N(3) 129.642(16) 1_555 1_555 1_555 yes
MG(1) MG(2) N(4) 138.248(14) 1_555 1_555 1_555 yes
N(3) MG(2) N(4) 91.80(2) 1_555 1_555 1_555 yes
MG(1) N(1) C(2) 121.68(4) 1_555 1_555 1_555 yes
MG(1) N(1) C(6) 120.80(3) 1_555 1_555 1_555 yes
C(2) N(1) C(6) 117.50(5) 1_555 1_555 1_555 yes
C(4) N(2) C(18) 120.72(4) 1_555 1_555 1_555 yes
C(31) N(3) C(35) 119.95(4) 1_555 1_555 1_555 yes
C(33) N(4) C(47) 116.76(5) 1_555 1_555 1_555 yes
N(1) C(2) C(1) 120.04(5) 1_555 1_555 1_555 yes
N(1) C(2) C(3) 124.62(5) 1_555 1_555 1_555 yes
C(1) C(2) C(3) 115.31(4) 1_555 1_555 1_555 yes
C(2) C(3) C(4) 129.27(4) 1_555 1_555 1_555 yes
N(2) C(4) C(3) 123.20(4) 1_555 1_555 1_555 yes
N(2) C(4) C(5) 120.35(5) 1_555 1_555 1_555 yes
C(3) C(4) C(5) 116.42(4) 1_555 1_555 1_555 yes
N(1) C(6) C(7) 120.13(5) 1_555 1_555 1_555 yes
N(1) C(6) C(11) 119.57(4) 1_555 1_555 1_555 yes
C(7) C(6) C(11) 120.26(5) 1_555 1_555 1_555 yes
C(6) C(7) C(8) 118.86(5) 1_555 1_555 1_555 yes
C(6) C(7) C(12) 121.88(5) 1_555 1_555 1_555 yes
C(8) C(7) C(12) 119.20(5) 1_555 1_555 1_555 yes
C(7) C(8) C(9) 121.21(5) 1_555 1_555 1_555 yes
C(8) C(9) C(10) 119.51(5) 1_555 1_555 1_555 yes
C(9) C(10) C(11) 121.40(6) 1_555 1_555 1_555 yes
C(6) C(11) C(10) 118.74(5) 1_555 1_555 1_555 yes
C(6) C(11) C(15) 122.61(5) 1_555 1_555 1_555 yes
C(10) C(11) C(15) 118.62(5) 1_555 1_555 1_555 yes
C(7) C(12) C(13) 112.24(5) 1_555 1_555 1_555 yes
C(7) C(12) C(14) 110.35(5) 1_555 1_555 1_555 yes
C(13) C(12) C(14) 110.70(5) 1_555 1_555 1_555 yes
C(11) C(15) C(16) 110.02(5) 1_555 1_555 1_555 yes
C(11) C(15) C(17) 112.71(6) 1_555 1_555 1_555 yes
C(16) C(15) C(17) 109.86(6) 1_555 1_555 1_555 yes
N(2) C(18) C(19) 120.69(4) 1_555 1_555 1_555 yes
N(2) C(18) C(23) 118.61(5) 1_555 1_555 1_555 yes
C(19) C(18) C(23) 120.42(5) 1_555 1_555 1_555 yes
C(18) C(19) C(20) 118.57(5) 1_555 1_555 1_555 yes
C(18) C(19) C(24) 122.42(5) 1_555 1_555 1_555 yes
C(20) C(19) C(24) 119.01(5) 1_555 1_555 1_555 yes
C(19) C(20) C(21) 121.49(5) 1_555 1_555 1_555 yes
C(20) C(21) C(22) 119.32(5) 1_555 1_555 1_555 yes
C(21) C(22) C(23) 121.30(5) 1_555 1_555 1_555 yes
C(18) C(23) C(22) 118.86(5) 1_555 1_555 1_555 yes
C(18) C(23) C(27) 122.33(5) 1_555 1_555 1_555 yes
C(22) C(23) C(27) 118.80(5) 1_555 1_555 1_555 yes
C(19) C(24) C(25) 111.22(4) 1_555 1_555 1_555 yes
C(19) C(24) C(26) 111.59(4) 1_555 1_555 1_555 yes
C(25) C(24) C(26) 109.91(5) 1_555 1_555 1_555 yes
C(23) C(27) C(28) 110.99(5) 1_555 1_555 1_555 yes
C(23) C(27) C(29) 111.10(5) 1_555 1_555 1_555 yes
C(28) C(27) C(29) 110.30(5) 1_555 1_555 1_555 yes
N(3) C(31) C(30) 120.68(5) 1_555 1_555 1_555 yes
N(3) C(31) C(32) 123.37(4) 1_555 1_555 1_555 yes
C(30) C(31) C(32) 115.94(4) 1_555 1_555 1_555 yes
C(31) C(32) C(33) 129.17(4) 1_555 1_555 1_555 yes
N(4) C(33) C(32) 124.66(5) 1_555 1_555 1_555 yes
N(4) C(33) C(34) 119.58(5) 1_555 1_555 1_555 yes
C(32) C(33) C(34) 115.72(4) 1_555 1_555 1_555 yes
N(3) C(35) C(36) 117.81(7) 1_555 1_555 1_555 yes
N(3) C(35) C(40) 120.92(6) 1_555 1_555 1_555 yes
C(36) C(35) C(40) 121.12(6) 1_555 1_555 1_555 yes
C(35) C(36) C(37) 118.24(9) 1_555 1_555 1_555 yes
C(35) C(36) C(41) 120.60(6) 1_555 1_555 1_555 yes
C(37) C(36) C(41) 121.16(8) 1_555 1_555 1_555 yes
C(36) C(37) C(38) 121.07(9) 1_555 1_555 1_555 yes
C(37) C(38) C(39) 119.86(7) 1_555 1_555 1_555 yes
C(38) C(39) C(40) 121.26(10) 1_555 1_555 1_555 yes
C(35) C(40) C(39) 118.42(8) 1_555 1_555 1_555 yes
C(35) C(40) C(44) 122.72(5) 1_555 1_555 1_555 yes
C(39) C(40) C(44) 118.84(8) 1_555 1_555 1_555 yes
C(36) C(41) C(42) 112.67(8) 1_555 1_555 1_555 yes
C(36) C(41) C(43) 113.19(8) 1_555 1_555 1_555 yes
C(42) C(41) C(43) 110.42(8) 1_555 1_555 1_555 yes
C(40) C(44) C(45) 111.36(7) 1_555 1_555 1_555 yes
C(40) C(44) C(46) 111.81(6) 1_555 1_555 1_555 yes
C(45) C(44) C(46) 109.56(7) 1_555 1_555 1_555 yes
N(4) C(47) C(48) 119.29(5) 1_555 1_555 1_555 yes
N(4) C(47) C(52) 120.67(5) 1_555 1_555 1_555 yes
C(48) C(47) C(52) 120.04(5) 1_555 1_555 1_555 yes
C(47) C(48) C(49) 119.05(6) 1_555 1_555 1_555 yes
C(47) C(48) C(53) 121.85(5) 1_555 1_555 1_555 yes
C(49) C(48) C(53) 119.09(6) 1_555 1_555 1_555 yes
C(48) C(49) C(50) 121.15(6) 1_555 1_555 1_555 yes
C(49) C(50) C(51) 119.35(5) 1_555 1_555 1_555 yes
C(50) C(51) C(52) 121.46(6) 1_555 1_555 1_555 yes
C(47) C(52) C(51) 118.91(6) 1_555 1_555 1_555 yes
C(47) C(52) C(56) 122.66(5) 1_555 1_555 1_555 yes
C(51) C(52) C(56) 118.42(5) 1_555 1_555 1_555 yes
C(48) C(53) C(54) 110.27(5) 1_555 1_555 1_555 yes
C(48) C(53) C(55) 112.33(6) 1_555 1_555 1_555 yes
C(54) C(53) C(55) 109.65(6) 1_555 1_555 1_555 yes
C(52) C(56) C(57) 112.51(6) 1_555 1_555 1_555 yes
C(52) C(56) C(58) 109.78(5) 1_555 1_555 1_555 yes
C(57) C(56) C(58) 110.04(6) 1_555 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
MG(1) MG(2) 2.8456(2) 1_555 1_555 yes
MG(1) N(1) 2.0693(6) 1_555 1_555 yes
MG(1) N(2) 2.0577(5) 1_555 1_555 yes
MG(2) N(3) 2.0639(5) 1_555 1_555 yes
MG(2) N(4) 2.0706(5) 1_555 1_555 yes
N(1) C(2) 1.3348(6) 1_555 1_555 yes
N(1) C(6) 1.4359(7) 1_555 1_555 yes
N(2) C(4) 1.3264(6) 1_555 1_555 yes
N(2) C(18) 1.4318(7) 1_555 1_555 yes
N(3) C(31) 1.3261(7) 1_555 1_555 yes
N(3) C(35) 1.4281(7) 1_555 1_555 yes
N(4) C(33) 1.3370(6) 1_555 1_555 yes
N(4) C(47) 1.4350(7) 1_555 1_555 yes
C(1) C(2) 1.5119(8) 1_555 1_555 yes
C(2) C(3) 1.4105(7) 1_555 1_555 yes
C(3) C(4) 1.4098(7) 1_555 1_555 yes
C(4) C(5) 1.5110(6) 1_555 1_555 yes
C(6) C(7) 1.4125(7) 1_555 1_555 yes
C(6) C(11) 1.4152(7) 1_555 1_555 yes
C(7) C(8) 1.3992(8) 1_555 1_555 yes
C(7) C(12) 1.5165(8) 1_555 1_555 yes
C(8) C(9) 1.3881(10) 1_555 1_555 yes
C(9) C(10) 1.3906(9) 1_555 1_555 yes
C(10) C(11) 1.3952(8) 1_555 1_555 yes
C(11) C(15) 1.5181(8) 1_555 1_555 yes
C(12) C(13) 1.5297(8) 1_555 1_555 yes
C(12) C(14) 1.5278(8) 1_555 1_555 yes
C(15) C(16) 1.5303(10) 1_555 1_555 yes
C(15) C(17) 1.5312(9) 1_555 1_555 yes
C(18) C(19) 1.4127(7) 1_555 1_555 yes
C(18) C(23) 1.4119(7) 1_555 1_555 yes
C(19) C(20) 1.3987(8) 1_555 1_555 yes
C(19) C(24) 1.5202(7) 1_555 1_555 yes
C(20) C(21) 1.3911(8) 1_555 1_555 yes
C(21) C(22) 1.3889(8) 1_555 1_555 yes
C(22) C(23) 1.3979(8) 1_555 1_555 yes
C(23) C(27) 1.5188(8) 1_555 1_555 yes
C(24) C(25) 1.5297(8) 1_555 1_555 yes
C(24) C(26) 1.5314(7) 1_555 1_555 yes
C(27) C(28) 1.5344(8) 1_555 1_555 yes
C(27) C(29) 1.5297(9) 1_555 1_555 yes
C(30) C(31) 1.5134(6) 1_555 1_555 yes
C(31) C(32) 1.4109(7) 1_555 1_555 yes
C(32) C(33) 1.4068(7) 1_555 1_555 yes
C(33) C(34) 1.5117(7) 1_555 1_555 yes
C(35) C(36) 1.4189(10) 1_555 1_555 yes
C(35) C(40) 1.4106(11) 1_555 1_555 yes
C(36) C(37) 1.3961(11) 1_555 1_555 yes
C(36) C(41) 1.5276(14) 1_555 1_555 yes
C(37) C(38) 1.397(2) 1_555 1_555 yes
C(38) C(39) 1.3885(17) 1_555 1_555 yes
C(39) C(40) 1.3964(9) 1_555 1_555 yes
C(40) C(44) 1.5229(11) 1_555 1_555 yes
C(41) C(42) 1.5351(14) 1_555 1_555 yes
C(41) C(43) 1.5256(10) 1_555 1_555 yes
C(44) C(45) 1.5316(12) 1_555 1_555 yes
C(44) C(46) 1.5312(8) 1_555 1_555 yes
C(47) C(48) 1.4143(8) 1_555 1_555 yes
C(47) C(52) 1.4096(7) 1_555 1_555 yes
C(48) C(49) 1.3987(8) 1_555 1_555 yes
C(48) C(53) 1.5186(8) 1_555 1_555 yes
C(49) C(50) 1.3896(10) 1_555 1_555 yes
C(50) C(51) 1.3883(10) 1_555 1_555 yes
C(51) C(52) 1.3982(7) 1_555 1_555 yes
C(52) C(56) 1.5183(8) 1_555 1_555 yes
C(53) C(54) 1.5289(9) 1_555 1_555 yes
C(53) C(55) 1.5318(10) 1_555 1_555 yes
C(56) C(57) 1.5314(9) 1_555 1_555 yes
C(56) C(58) 1.5336(9) 1_555 1_555 yes
