#------------------------------------------------------------------------------
#$Date: 2025-08-21 00:01:10 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301838 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/27/4322726.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_4322726
loop_
_publ_author_name
'Ingo Schranz'
'Lothar Stahl'
'Richard J. Staples'
_publ_section_title
;
 Polycyclic Bis(tert-butylamido)cyclodiphosph(III)azane Complexes of
 Lithium and Magnesium: Their Syntheses, Molecular Structures, and
 Relationships to Isoelectronic Cyclodisilazane Derivatives
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1493
_journal_page_last               1498
_journal_paper_doi               10.1021/ic971201f
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C24 H52 Mg N4 O2 P2'
_chemical_formula_weight         514.95
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.47
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6272(4)
_cell_length_b                   17.6643(7)
_cell_length_c                   16.3625(6)
_cell_measurement_reflns_used    201
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      19.95
_cell_measurement_theta_min      2.62
_cell_volume                     3071.5(2)
_computing_cell_refinement       'SMART (SIEMENS, V4.033, 1994)'
_computing_data_collection       'ASTRO (SIEMENS, V4.033, 1994)'
_computing_data_reduction        'SAINT (SIEMENS, V4.035, 1994)'
_computing_molecular_graphics    'SHELXTL (SIEMENS, 1994, ver 5.04)'
_computing_publication_material  'CIFTAB (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measurement_device       'Siemens CCD'
_diffrn_measurement_method       'ω, 0.3 deg'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0623
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12015
_diffrn_reflns_theta_max         24.96
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.187
_exptl_absorpt_correction_T_max  0.970459
_exptl_absorpt_correction_T_min  0.695488
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.114
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.801
_refine_diff_density_min         -0.320
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.125
_refine_ls_goodness_of_fit_obs   1.232
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4988
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_restrained_S_obs      1.232
_refine_ls_R_factor_all          0.1084
_refine_ls_R_factor_obs          0.0797
_refine_ls_shift/esd_max         -0.006
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1034P)²+6.9416P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2392
_refine_ls_wR_factor_obs         0.2212
_reflns_number_observed          3609
_reflns_number_total             4988
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic971201f_3.cif
_cod_data_source_block           ls7f_Compound_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1034P)^2^+6.9416P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1034P)^2^+6.9416P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4322726
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mg1 Mg 0.32196(14) 0.27154(9) 0.82566(9) 0.0289(4) Uani 1 d . .
P1 P 0.12842(12) 0.22337(7) 0.92979(8) 0.0335(4) Uani 1 d . .
P2 P 0.29110(11) 0.11937(7) 0.87290(7) 0.0275(3) Uani 1 d . .
N1 N 0.1676(4) 0.1784(2) 0.8359(2) 0.0306(9) Uani 1 d . .
N2 N 0.2564(4) 0.1691(2) 0.9632(2) 0.0317(9) Uani 1 d . .
N3 N 0.1871(4) 0.3073(2) 0.9068(3) 0.0372(10) Uani 1 d . .
N4 N 0.4066(3) 0.1667(2) 0.8285(2) 0.0276(9) Uani 1 d . .
O1 O 0.4725(3) 0.3429(2) 0.8563(2) 0.0453(9) Uani 1 d . .
O2 O 0.3094(3) 0.3168(2) 0.7092(2) 0.0402(9) Uani 1 d . .
C1 C 0.0689(5) 0.1493(3) 0.7806(3) 0.0426(13) Uani 1 d . .
C2 C -0.0095(6) 0.0868(3) 0.8224(4) 0.056(2) Uani 1 d . .
H2A H -0.0485(6) 0.1071(3) 0.8711(4) 0.084 Uiso 1 calc R .
H2B H 0.0450(6) 0.0449(3) 0.8374(4) 0.084 Uiso 1 calc R .
H2C H -0.0743(6) 0.0691(3) 0.7849(4) 0.084 Uiso 1 calc R .
C3 C -0.0190(6) 0.2147(4) 0.7568(5) 0.066(2) Uani 1 d . .
H3A H -0.0571(6) 0.2354(4) 0.8056(5) 0.100 Uiso 1 calc R .
H3B H -0.0844(6) 0.1961(4) 0.7203(5) 0.100 Uiso 1 calc R .
H3C H 0.0289(6) 0.2538(4) 0.7295(5) 0.100 Uiso 1 calc R .
C4 C 0.1297(6) 0.1164(4) 0.7041(3) 0.058(2) Uani 1 d . .
H4A H 0.1853(6) 0.0751(4) 0.7195(3) 0.086 Uiso 1 calc R .
H4B H 0.1777(6) 0.1555(4) 0.6768(3) 0.086 Uiso 1 calc R .
H4C H 0.0647(6) 0.0976(4) 0.6674(3) 0.086 Uiso 1 calc R .
C5 C 0.2703(5) 0.1384(3) 1.0464(3) 0.0365(12) Uani 1 d . .
C6 C 0.2514(7) 0.2031(3) 1.1069(3) 0.057(2) Uani 1 d . .
H6A H 0.1668(7) 0.2231(3) 1.1009(3) 0.085 Uiso 1 calc R .
H6B H 0.3120(7) 0.2429(3) 1.0961(3) 0.085 Uiso 1 calc R .
H6C H 0.2634(7) 0.1845(3) 1.1622(3) 0.085 Uiso 1 calc R .
C7 C 0.1736(6) 0.0759(3) 1.0626(4) 0.058(2) Uani 1 d . .
H7A H 0.0893(6) 0.0962(3) 1.0556(4) 0.086 Uiso 1 calc R .
H7B H 0.1839(6) 0.0574(3) 1.1181(4) 0.086 Uiso 1 calc R .
H7C H 0.1862(6) 0.0346(3) 1.0245(4) 0.086 Uiso 1 calc R .
C8 C 0.4036(7) 0.1079(4) 1.0571(4) 0.067(2) Uani 1 d . .
H8A H 0.4171(7) 0.0667(4) 1.0190(4) 0.100 Uiso 1 calc R .
H8B H 0.4150(7) 0.0896(4) 1.1126(4) 0.100 Uiso 1 calc R .
H8C H 0.4636(7) 0.1481(4) 1.0465(4) 0.100 Uiso 1 calc R .
C9 C 0.1305(6) 0.3774(3) 0.9383(4) 0.055(2) Uani 1 d . .
C10 C 0.1229(16) 0.3797(5) 1.0285(5) 0.202(9) Uani 1 d . .
H10A H 0.0751(16) 0.3364(5) 1.0475(5) 0.303 Uiso 1 calc R .
H10B H 0.0815(16) 0.4260(5) 1.0452(5) 0.303 Uiso 1 calc R .
H10C H 0.2070(16) 0.3780(5) 1.0518(5) 0.303 Uiso 1 calc R .
C11 C -0.0017(8) 0.3879(5) 0.9008(9) 0.144(5) Uani 1 d . .
H11A H 0.0037(8) 0.3864(5) 0.8416(9) 0.216 Uiso 1 calc R .
H11B H -0.0356(8) 0.4364(5) 0.9176(9) 0.216 Uiso 1 calc R .
H11C H -0.0564(8) 0.3477(5) 0.9194(9) 0.216 Uiso 1 calc R .
C12 C 0.2040(7) 0.4442(3) 0.9086(5) 0.069(2) Uani 1 d . .
H12A H 0.2088(7) 0.4426(3) 0.8494(5) 0.103 Uiso 1 calc R .
H12B H 0.2883(7) 0.4427(3) 0.9318(5) 0.103 Uiso 1 calc R .
H12C H 0.1626(7) 0.4905(3) 0.9253(5) 0.103 Uiso 1 calc R .
C13 C 0.5257(4) 0.1289(3) 0.8075(3) 0.0342(11) Uani 1 d . .
C14 C 0.6045(5) 0.1841(4) 0.7588(4) 0.060(2) Uani 1 d . .
H14A H 0.5583(5) 0.1996(4) 0.7102(4) 0.090 Uiso 1 calc R .
H14B H 0.6825(5) 0.1599(4) 0.7430(4) 0.090 Uiso 1 calc R .
H14C H 0.6231(5) 0.2283(4) 0.7921(4) 0.090 Uiso 1 calc R .
C15 C 0.5027(6) 0.0592(4) 0.7544(5) 0.074(2) Uani 1 d . .
H15A H 0.4542(6) 0.0734(4) 0.7064(5) 0.112 Uiso 1 calc R .
H15B H 0.4565(6) 0.0216(4) 0.7854(5) 0.112 Uiso 1 calc R .
H15C H 0.5827(6) 0.0380(4) 0.7377(5) 0.112 Uiso 1 calc R .
C16 C 0.6018(6) 0.1064(4) 0.8826(4) 0.067(2) Uani 1 d . .
H16A H 0.5537(6) 0.0709(4) 0.9151(4) 0.101 Uiso 1 calc R .
H16B H 0.6203(6) 0.1512(4) 0.9149(4) 0.101 Uiso 1 calc R .
H16C H 0.6798(6) 0.0828(4) 0.8658(4) 0.101 Uiso 1 calc R .
C17 C 0.5265(6) 0.3360(4) 0.9370(4) 0.064(2) Uani 1 d . .
H17A H 0.4641(6) 0.3486(4) 0.9786(4) 0.076 Uiso 1 calc R .
H17B H 0.5560(6) 0.2841(4) 0.9466(4) 0.076 Uiso 1 calc R .
C18 C 0.6301(11) 0.3882(8) 0.9404(7) 0.165(6) Uani 1 d . .
H18A H 0.6159(11) 0.4253(8) 0.9839(7) 0.199 Uiso 1 calc R .
H18B H 0.7079(11) 0.3608(8) 0.9532(7) 0.199 Uiso 1 calc R .
C19 C 0.6426(9) 0.4257(6) 0.8657(8) 0.138(5) Uani 1 d . .
H19A H 0.7242(9) 0.4138(6) 0.8414(8) 0.166 Uiso 1 calc R .
H19B H 0.6374(9) 0.4806(6) 0.8738(8) 0.166 Uiso 1 calc R .
C20 C 0.5388(6) 0.3995(4) 0.8114(5) 0.068(2) Uani 1 d . .
H20A H 0.4827(6) 0.4417(4) 0.7974(5) 0.081 Uiso 1 calc R .
H20B H 0.5725(6) 0.3782(4) 0.7608(5) 0.081 Uiso 1 calc R .
C21 C 0.2414(6) 0.3841(3) 0.6833(3) 0.0500(15) Uani 1 d . .
H21A H 0.2744(6) 0.4290(3) 0.7113(3) 0.060 Uiso 1 calc R .
H21B H 0.1516(6) 0.3792(3) 0.6956(3) 0.060 Uiso 1 calc R .
C22 C 0.2609(6) 0.3902(3) 0.5929(3) 0.053(2) Uani 1 d . .
H22A H 0.3337(6) 0.4221(3) 0.5807(3) 0.063 Uiso 1 calc R .
H22B H 0.1863(6) 0.4113(3) 0.5656(3) 0.063 Uiso 1 calc R .
C23 C 0.2833(6) 0.3098(4) 0.5664(4) 0.059(2) Uani 1 d . .
H23A H 0.2040(6) 0.2821(4) 0.5595(4) 0.071 Uiso 1 calc R .
H23B H 0.3306(6) 0.3077(4) 0.5153(4) 0.071 Uiso 1 calc R .
C24 C 0.3592(5) 0.2792(3) 0.6367(3) 0.0458(14) Uani 1 d . .
H24A H 0.3492(5) 0.2242(3) 0.6409(3) 0.055 Uiso 1 calc R .
H24B H 0.4486(5) 0.2909(3) 0.6300(3) 0.055 Uiso 1 calc R .
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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 '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
N4 Mg1 N3 124.6(2) . . ?
N4 Mg1 O2 113.1(2) . . ?
N3 Mg1 O2 115.7(2) . . ?
N4 Mg1 O1 101.8(2) . . ?
N3 Mg1 O1 101.2(2) . . ?
O2 Mg1 O1 91.8(2) . . ?
N4 Mg1 N1 70.77(14) . . ?
N3 Mg1 N1 71.1(2) . . ?
O2 Mg1 N1 107.4(2) . . ?
O1 Mg1 N1 160.8(2) . . ?
N4 Mg1 P1 92.05(11) . . ?
N3 Mg1 P1 35.61(12) . . ?
O2 Mg1 P1 129.22(12) . . ?
O1 Mg1 P1 126.70(12) . . ?
N1 Mg1 P1 39.13(10) . . ?
N4 Mg1 P2 35.65(10) . . ?
N3 Mg1 P2 91.89(12) . . ?
O2 Mg1 P2 127.90(12) . . ?
O1 Mg1 P2 126.81(12) . . ?
N1 Mg1 P2 38.99(10) . . ?
P1 Mg1 P2 57.17(5) . . ?
N3 P1 N2 105.6(2) . . ?
N3 P1 N1 96.5(2) . . ?
N2 P1 N1 80.7(2) . . ?
N3 P1 P2 106.78(15) . . ?
N2 P1 P2 40.01(13) . . ?
N1 P1 P2 40.77(13) . . ?
N3 P1 Mg1 46.51(14) . . ?
N2 P1 Mg1 77.55(13) . . ?
N1 P1 Mg1 55.63(13) . . ?
P2 P1 Mg1 61.48(5) . . ?
N4 P2 N2 106.1(2) . . ?
N4 P2 N1 95.8(2) . . ?
N2 P2 N1 80.4(2) . . ?
N4 P2 P1 106.68(14) . . ?
N2 P2 P1 39.66(13) . . ?
N1 P2 P1 40.88(13) . . ?
N4 P2 Mg1 46.37(13) . . ?
N2 P2 Mg1 77.27(13) . . ?
N1 P2 Mg1 55.56(13) . . ?
P1 P2 Mg1 61.35(5) . . ?
C1 N1 P2 121.7(3) . . ?
C1 N1 P1 121.0(3) . . ?
P2 N1 P1 98.4(2) . . ?
C1 N1 Mg1 134.5(3) . . ?
P2 N1 Mg1 85.4(2) . . ?
P1 N1 Mg1 85.2(2) . . ?
C5 N2 P1 124.3(3) . . ?
C5 N2 P2 124.9(3) . . ?
P1 N2 P2 100.3(2) . . ?
C9 N3 P1 121.2(3) . . ?
C9 N3 Mg1 140.6(3) . . ?
P1 N3 Mg1 97.9(2) . . ?
C13 N4 P2 120.9(3) . . ?
C13 N4 Mg1 141.1(3) . . ?
P2 N4 Mg1 98.0(2) . . ?
C20 O1 C17 109.7(5) . . ?
C20 O1 Mg1 132.6(4) . . ?
C17 O1 Mg1 117.8(3) . . ?
C21 O2 C24 108.5(4) . . ?
C21 O2 Mg1 127.8(3) . . ?
C24 O2 Mg1 123.4(3) . . ?
N1 C1 C4 109.4(4) . . ?
N1 C1 C3 108.8(4) . . ?
C4 C1 C3 109.8(5) . . ?
N1 C1 C2 111.2(4) . . ?
C4 C1 C2 108.9(5) . . ?
C3 C1 C2 108.7(5) . . ?
N2 C5 C8 108.8(4) . . ?
N2 C5 C6 108.1(4) . . ?
C8 C5 C6 108.5(5) . . ?
N2 C5 C7 111.3(4) . . ?
C8 C5 C7 110.5(5) . . ?
C6 C5 C7 109.6(4) . . ?
N3 C9 C10 113.5(5) . . ?
N3 C9 C12 109.4(5) . . ?
C10 C9 C12 109.7(7) . . ?
N3 C9 C11 109.6(6) . . ?
C10 C9 C11 109.7(9) . . ?
C12 C9 C11 104.6(6) . . ?
N4 C13 C16 112.5(4) . . ?
N4 C13 C14 108.0(4) . . ?
C16 C13 C14 107.5(5) . . ?
N4 C13 C15 111.3(4) . . ?
C16 C13 C15 109.4(5) . . ?
C14 C13 C15 107.9(5) . . ?
C18 C17 O1 106.2(6) . . ?
C19 C18 C17 110.5(8) . . ?
C18 C19 C20 107.5(7) . . ?
O1 C20 C19 106.1(6) . . ?
O2 C21 C22 105.9(4) . . ?
C21 C22 C23 103.9(5) . . ?
C24 C23 C22 101.8(5) . . ?
O2 C24 C23 105.2(4) . . ?
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 N4 2.059(4) . ?
Mg1 N3 2.061(4) . ?
Mg1 O2 2.070(4) . ?
Mg1 O1 2.095(4) . ?
Mg1 N1 2.330(4) . ?
Mg1 P1 2.813(2) . ?
Mg1 P2 2.817(2) . ?
P1 N3 1.654(4) . ?
P1 N2 1.748(4) . ?
P1 N1 1.782(4) . ?
P1 P2 2.694(2) . ?
P2 N4 1.658(4) . ?
P2 N2 1.760(4) . ?
P2 N1 1.778(4) . ?
N1 C1 1.473(6) . ?
N2 C5 1.473(6) . ?
N3 C9 1.472(6) . ?
N4 C13 1.475(6) . ?
O1 C20 1.430(7) . ?
O1 C17 1.441(7) . ?
O2 C21 1.452(6) . ?
O2 C24 1.462(6) . ?
C1 C4 1.528(8) . ?
C1 C3 1.533(8) . ?
C1 C2 1.546(8) . ?
C5 C8 1.524(8) . ?
C5 C6 1.527(7) . ?
C5 C7 1.533(8) . ?
C9 C10 1.478(10) . ?
C9 C12 1.498(8) . ?
C9 C11 1.540(11) . ?
C13 C16 1.518(8) . ?
C13 C14 1.516(7) . ?
C13 C15 1.525(8) . ?
C17 C18 1.438(11) . ?
C18 C19 1.397(13) . ?
C19 C20 1.485(10) . ?
C21 C22 1.500(8) . ?
C22 C23 1.505(8) . ?
C23 C24 1.500(8) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Mg1 P1 N3 157.7(2) . . . . ?
N3 Mg1 P1 N3 0.000(1) . . . . ?
O2 Mg1 P1 N3 -79.8(3) . . . . ?
O1 Mg1 P1 N3 51.4(3) . . . . ?
N1 Mg1 P1 N3 -146.7(3) . . . . ?
P2 Mg1 P1 N3 165.5(2) . . . . ?
N4 Mg1 P1 N2 31.6(2) . . . . ?
N3 Mg1 P1 N2 -126.1(3) . . . . ?
O2 Mg1 P1 N2 154.0(2) . . . . ?
O1 Mg1 P1 N2 -74.7(2) . . . . ?
N1 Mg1 P1 N2 87.1(2) . . . . ?
P2 Mg1 P1 N2 39.40(14) . . . . ?
N4 Mg1 P1 N1 -55.5(2) . . . . ?
N3 Mg1 P1 N1 146.7(3) . . . . ?
O2 Mg1 P1 N1 66.9(2) . . . . ?
O1 Mg1 P1 N1 -161.8(2) . . . . ?
N1 Mg1 P1 N1 0.0 . . . . ?
P2 Mg1 P1 N1 -47.7(2) . . . . ?
N4 Mg1 P1 P2 -7.79(11) . . . . ?
N3 Mg1 P1 P2 -165.5(2) . . . . ?
O2 Mg1 P1 P2 114.6(2) . . . . ?
O1 Mg1 P1 P2 -114.1(2) . . . . ?
N1 Mg1 P1 P2 47.7(2) . . . . ?
P2 Mg1 P1 P2 0.0 . . . . ?
N3 P1 P2 N4 -0.8(2) . . . . ?
N2 P1 P2 N4 -95.3(2) . . . . ?
N1 P1 P2 N4 79.4(2) . . . . ?
Mg1 P1 P2 N4 10.11(15) . . . . ?
N3 P1 P2 N2 94.5(3) . . . . ?
N2 P1 P2 N2 0.000(2) . . . . ?
N1 P1 P2 N2 174.7(3) . . . . ?
Mg1 P1 P2 N2 105.4(2) . . . . ?
N3 P1 P2 N1 -80.2(3) . . . . ?
N2 P1 P2 N1 -174.7(3) . . . . ?
N1 P1 P2 N1 0.000(2) . . . . ?
Mg1 P1 P2 N1 -69.3(2) . . . . ?
N3 P1 P2 Mg1 -10.9(2) . . . . ?
N2 P1 P2 Mg1 -105.4(2) . . . . ?
N1 P1 P2 Mg1 69.3(2) . . . . ?
Mg1 P1 P2 Mg1 0.0 . . . . ?
N4 Mg1 P2 N4 0.0 . . . . ?
N3 Mg1 P2 N4 -158.2(2) . . . . ?
O2 Mg1 P2 N4 76.6(2) . . . . ?
O1 Mg1 P2 N4 -52.6(2) . . . . ?
N1 Mg1 P2 N4 145.5(2) . . . . ?
P1 Mg1 P2 N4 -166.6(2) . . . . ?
N4 Mg1 P2 N2 127.5(2) . . . . ?
N3 Mg1 P2 N2 -30.7(2) . . . . ?
O2 Mg1 P2 N2 -155.9(2) . . . . ?
O1 Mg1 P2 N2 74.8(2) . . . . ?
N1 Mg1 P2 N2 -87.0(2) . . . . ?
P1 Mg1 P2 N2 -39.11(14) . . . . ?
N4 Mg1 P2 N1 -145.5(2) . . . . ?
N3 Mg1 P2 N1 56.3(2) . . . . ?
O2 Mg1 P2 N1 -68.9(2) . . . . ?
O1 Mg1 P2 N1 161.8(2) . . . . ?
N1 Mg1 P2 N1 0.0 . . . . ?
P1 Mg1 P2 N1 47.9(2) . . . . ?
N4 Mg1 P2 P1 166.6(2) . . . . ?
N3 Mg1 P2 P1 8.37(13) . . . . ?
O2 Mg1 P2 P1 -116.8(2) . . . . ?
O1 Mg1 P2 P1 113.9(2) . . . . ?
N1 Mg1 P2 P1 -47.9(2) . . . . ?
P1 Mg1 P2 P1 0.0 . . . . ?
N4 P2 N1 C1 116.6(4) . . . . ?
N2 P2 N1 C1 -138.0(4) . . . . ?
P1 P2 N1 C1 -134.6(4) . . . . ?
Mg1 P2 N1 C1 140.9(4) . . . . ?
N4 P2 N1 P1 -108.8(2) . . . . ?
N2 P2 N1 P1 -3.4(2) . . . . ?
P1 P2 N1 P1 0.000(1) . . . . ?
Mg1 P2 N1 P1 -84.5(2) . . . . ?
N4 P2 N1 Mg1 -24.3(2) . . . . ?
N2 P2 N1 Mg1 81.1(2) . . . . ?
P1 P2 N1 Mg1 84.5(2) . . . . ?
Mg1 P2 N1 Mg1 0.0 . . . . ?
N3 P1 N1 C1 -116.7(4) . . . . ?
N2 P1 N1 C1 138.4(4) . . . . ?
P2 P1 N1 C1 135.0(4) . . . . ?
Mg1 P1 N1 C1 -140.3(4) . . . . ?
N3 P1 N1 P2 108.3(2) . . . . ?
N2 P1 N1 P2 3.4(2) . . . . ?
P2 P1 N1 P2 0.000(1) . . . . ?
Mg1 P1 N1 P2 84.7(2) . . . . ?
N3 P1 N1 Mg1 23.6(2) . . . . ?
N2 P1 N1 Mg1 -81.2(2) . . . . ?
P2 P1 N1 Mg1 -84.7(2) . . . . ?
Mg1 P1 N1 Mg1 0.0 . . . . ?
N4 Mg1 N1 C1 -110.8(4) . . . . ?
N3 Mg1 N1 C1 110.2(5) . . . . ?
O2 Mg1 N1 C1 -1.8(5) . . . . ?
O1 Mg1 N1 C1 179.4(5) . . . . ?
P1 Mg1 N1 C1 129.9(5) . . . . ?
P2 Mg1 N1 C1 -131.3(5) . . . . ?
N4 Mg1 N1 P2 20.46(14) . . . . ?
N3 Mg1 N1 P2 -118.5(2) . . . . ?
O2 Mg1 N1 P2 129.5(2) . . . . ?
O1 Mg1 N1 P2 -49.3(5) . . . . ?
P1 Mg1 N1 P2 -98.8(2) . . . . ?
P2 Mg1 N1 P2 0.0 . . . . ?
N4 Mg1 N1 P1 119.3(2) . . . . ?
N3 Mg1 N1 P1 -19.7(2) . . . . ?
O2 Mg1 N1 P1 -131.7(2) . . . . ?
O1 Mg1 N1 P1 49.5(5) . . . . ?
P1 Mg1 N1 P1 0.0 . . . . ?
P2 Mg1 N1 P1 98.8(2) . . . . ?
N3 P1 N2 C5 116.5(4) . . . . ?
N1 P1 N2 C5 -149.4(4) . . . . ?
P2 P1 N2 C5 -145.9(5) . . . . ?
Mg1 P1 N2 C5 153.9(4) . . . . ?
N3 P1 N2 P2 -97.7(2) . . . . ?
N1 P1 N2 P2 -3.5(2) . . . . ?
P2 P1 N2 P2 0.000(1) . . . . ?
Mg1 P1 N2 P2 -60.17(15) . . . . ?
N4 P2 N2 C5 -117.5(4) . . . . ?
N1 P2 N2 C5 149.1(4) . . . . ?
P1 P2 N2 C5 145.6(5) . . . . ?
Mg1 P2 N2 C5 -154.2(4) . . . . ?
N4 P2 N2 P1 96.9(2) . . . . ?
N1 P2 N2 P1 3.5(2) . . . . ?
P1 P2 N2 P1 0.000(2) . . . . ?
Mg1 P2 N2 P1 60.15(15) . . . . ?
N2 P1 N3 C9 -130.2(4) . . . . ?
N1 P1 N3 C9 147.8(5) . . . . ?
P2 P1 N3 C9 -171.9(4) . . . . ?
Mg1 P1 N3 C9 174.9(6) . . . . ?
N2 P1 N3 Mg1 55.0(2) . . . . ?
N1 P1 N3 Mg1 -27.1(2) . . . . ?
P2 P1 N3 Mg1 13.3(2) . . . . ?
Mg1 P1 N3 Mg1 0.0 . . . . ?
N4 Mg1 N3 C9 159.6(6) . . . . ?
O2 Mg1 N3 C9 -50.9(7) . . . . ?
O1 Mg1 N3 C9 46.7(6) . . . . ?
N1 Mg1 N3 C9 -151.6(7) . . . . ?
P1 Mg1 N3 C9 -173.1(7) . . . . ?
P2 Mg1 N3 C9 174.8(6) . . . . ?
N4 Mg1 N3 P1 -27.4(3) . . . . ?
O2 Mg1 N3 P1 122.2(2) . . . . ?
O1 Mg1 N3 P1 -140.3(2) . . . . ?
N1 Mg1 N3 P1 21.5(2) . . . . ?
P1 Mg1 N3 P1 0.0 . . . . ?
P2 Mg1 N3 P1 -12.1(2) . . . . ?
N2 P2 N4 C13 124.3(4) . . . . ?
N1 P2 N4 C13 -153.9(4) . . . . ?
P1 P2 N4 C13 165.8(3) . . . . ?
Mg1 P2 N4 C13 178.1(4) . . . . ?
N2 P2 N4 Mg1 -53.7(2) . . . . ?
N1 P2 N4 Mg1 28.0(2) . . . . ?
P1 P2 N4 Mg1 -12.3(2) . . . . ?
Mg1 P2 N4 Mg1 0.0 . . . . ?
N3 Mg1 N4 C13 -150.5(5) . . . . ?
O2 Mg1 N4 C13 59.2(5) . . . . ?
O1 Mg1 N4 C13 -37.9(5) . . . . ?
N1 Mg1 N4 C13 160.5(5) . . . . ?
P1 Mg1 N4 C13 -166.1(5) . . . . ?
P2 Mg1 N4 C13 -177.3(6) . . . . ?
N3 Mg1 N4 P2 26.8(3) . . . . ?
O2 Mg1 N4 P2 -123.4(2) . . . . ?
O1 Mg1 N4 P2 139.5(2) . . . . ?
N1 Mg1 N4 P2 -22.2(2) . . . . ?
P1 Mg1 N4 P2 11.3(2) . . . . ?
P2 Mg1 N4 P2 0.0 . . . . ?
N4 Mg1 O1 C20 113.3(5) . . . . ?
N3 Mg1 O1 C20 -117.4(5) . . . . ?
O2 Mg1 O1 C20 -0.7(5) . . . . ?
N1 Mg1 O1 C20 178.2(5) . . . . ?
P1 Mg1 O1 C20 -145.1(5) . . . . ?
P2 Mg1 O1 C20 141.6(5) . . . . ?
N4 Mg1 O1 C17 -65.2(4) . . . . ?
N3 Mg1 O1 C17 64.0(4) . . . . ?
O2 Mg1 O1 C17 -179.3(4) . . . . ?
N1 Mg1 O1 C17 -0.4(7) . . . . ?
P1 Mg1 O1 C17 36.3(5) . . . . ?
P2 Mg1 O1 C17 -37.0(5) . . . . ?
N4 Mg1 O2 C21 171.1(4) . . . . ?
N3 Mg1 O2 C21 18.1(5) . . . . ?
O1 Mg1 O2 C21 -85.3(4) . . . . ?
N1 Mg1 O2 C21 95.1(4) . . . . ?
P1 Mg1 O2 C21 57.6(5) . . . . ?
P2 Mg1 O2 C21 133.1(4) . . . . ?
N4 Mg1 O2 C24 -1.9(4) . . . . ?
N3 Mg1 O2 C24 -154.9(4) . . . . ?
O1 Mg1 O2 C24 101.7(4) . . . . ?
N1 Mg1 O2 C24 -77.9(4) . . . . ?
P1 Mg1 O2 C24 -115.4(4) . . . . ?
P2 Mg1 O2 C24 -39.9(4) . . . . ?
P2 N1 C1 C4 -57.3(5) . . . . ?
P1 N1 C1 C4 178.0(4) . . . . ?
Mg1 N1 C1 C4 61.1(6) . . . . ?
P2 N1 C1 C3 -177.3(4) . . . . ?
P1 N1 C1 C3 58.0(6) . . . . ?
Mg1 N1 C1 C3 -58.9(6) . . . . ?
P2 N1 C1 C2 63.0(5) . . . . ?
P1 N1 C1 C2 -61.7(5) . . . . ?
Mg1 N1 C1 C2 -178.6(4) . . . . ?
P1 N2 C5 C8 -169.1(4) . . . . ?
P2 N2 C5 C8 53.2(6) . . . . ?
P1 N2 C5 C6 -51.5(6) . . . . ?
P2 N2 C5 C6 170.8(4) . . . . ?
P1 N2 C5 C7 68.9(5) . . . . ?
P2 N2 C5 C7 -68.8(5) . . . . ?
P1 N3 C9 C10 56.4(10) . . . . ?
Mg1 N3 C9 C10 -131.6(9) . . . . ?
P1 N3 C9 C12 179.2(5) . . . . ?
Mg1 N3 C9 C12 -8.8(9) . . . . ?
P1 N3 C9 C11 -66.7(7) . . . . ?
Mg1 N3 C9 C11 105.3(8) . . . . ?
P2 N4 C13 C16 -68.4(6) . . . . ?
Mg1 N4 C13 C16 108.6(6) . . . . ?
P2 N4 C13 C14 173.1(4) . . . . ?
Mg1 N4 C13 C14 -9.9(7) . . . . ?
P2 N4 C13 C15 54.8(6) . . . . ?
Mg1 N4 C13 C15 -128.2(5) . . . . ?
C20 O1 C17 C18 -1.5(10) . . . . ?
Mg1 O1 C17 C18 177.4(8) . . . . ?
O1 C17 C18 C19 -0.8(15) . . . . ?
C17 C18 C19 C20 2.6(17) . . . . ?
C17 O1 C20 C19 3.0(9) . . . . ?
Mg1 O1 C20 C19 -175.7(6) . . . . ?
C18 C19 C20 O1 -3.4(13) . . . . ?
C24 O2 C21 C22 -4.9(6) . . . . ?
Mg1 O2 C21 C22 -178.7(4) . . . . ?
O2 C21 C22 C23 26.7(6) . . . . ?
C21 C22 C23 C24 -37.5(6) . . . . ?
C21 O2 C24 C23 -19.0(6) . . . . ?
Mg1 O2 C24 C23 155.1(4) . . . . ?
C22 C23 C24 O2 34.8(6) . . . . ?
loop_
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1 PubChem 168337497
