#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:20:45 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179056 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/18/4301834.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_4301834
loop_
_publ_author_name
'Jessie D. Monegan'
'Scott D. Bunge'
_publ_contact_author_address
;Department of Chemistry
Kent State University
Kent, OH 44242
;
_publ_contact_author_email       sbunge@kent.edu
_publ_contact_author_fax         '(+1) 330 672-3816'
_publ_contact_author_name        'Scott D. Bunge'
_publ_contact_author_phone       '(+1) 330 672-9445'
_publ_section_title
;
Structurally Characterized 1,1,3,3-Tetramethylguanidine Solvated Magnesium
Aryloxide Complexes: [Mg(μ-OEt)(DBP)(H-TMG)]2, [Mg(μ-OBc)(DBP)(H-TMG)]2,
[Mg(μ-TMBA)(DBP)(H-TMG)]2, [Mg(μ-DPP)(DBP)(H-TMG)]2, [Mg(BMP)2(H-TMG)2],
[Mg(O-2,6-Ph2C6H3)2(H-TMG)2]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3248
_journal_page_last               3256
_journal_paper_doi               10.1021/ic8022776
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C62 H88 Mg2 N6 O10 P2'
_chemical_formula_weight         1187.94
_chemical_name_common            '[Mg(DPP)(DBP)(H-TMG)]2 (4)'
_chemical_name_systematic
;

 ?

;
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.60(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.100(3)
_cell_length_b                   11.260(2)
_cell_length_c                   19.340(4)
_cell_measurement_temperature    160(2)
_cell_volume                     3281.8(11)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0242
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            25755
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.144
_exptl_absorpt_correction_T_max  0.9581
_exptl_absorpt_correction_T_min  0.9315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.362
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         5813
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.1353P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
_refine_ls_wR_factor_ref         0.1341
_reflns_number_gt                4906
_reflns_number_total             5813
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8022776_si_002_4.cif
_cod_data_source_block           jdm008
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' 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 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4301834
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_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
Mg2 Mg 0.07454(3) 0.31030(4) 0.01740(3) 0.02199(16) Uani 1 1 d . . .
P1 P 0.13422(3) 0.59659(4) 0.01960(2) 0.02334(14) Uani 1 1 d . . .
N1 N 0.07861(9) 0.26421(12) 0.12082(7) 0.0300(3) Uani 1 1 d . . .
H1 H 0.1323 0.2719 0.1408 0.036 Uiso 1 1 calc R . .
N2 N -0.04169(9) 0.14547(13) 0.14353(8) 0.0351(4) Uani 1 1 d . . .
N3 N 0.02300(11) 0.26453(14) 0.23211(7) 0.0397(4) Uani 1 1 d . . .
O1 O 0.13923(7) 0.21623(10) -0.04201(6) 0.0285(3) Uani 1 1 d . . .
O2 O 0.13307(7) 0.46521(9) 0.02918(6) 0.0265(3) Uani 1 1 d . . .
O3 O 0.04844(7) 0.66127(10) 0.01369(6) 0.0300(3) Uani 1 1 d . . .
O4 O 0.19601(7) 0.65654(10) 0.08028(6) 0.0321(3) Uani 1 1 d . . .
O5 O 0.18325(7) 0.63270(10) -0.04787(6) 0.0315(3) Uani 1 1 d . . .
C1 C 0.02169(11) 0.22623(15) 0.16469(8) 0.0295(4) Uani 1 1 d . . .
C2 C -0.03523(13) 0.08358(16) 0.07744(10) 0.0407(4) Uani 1 1 d . . .
H2A H -0.0585 0.1347 0.0395 0.061 Uiso 1 1 calc R . .
H2B H -0.0699 0.0100 0.0777 0.061 Uiso 1 1 calc R . .
H2C H 0.0270 0.0646 0.0709 0.061 Uiso 1 1 calc R . .
C3 C -0.13229(13) 0.15064(19) 0.16707(12) 0.0490(5) Uani 1 1 d . . .
H3A H -0.1353 0.2113 0.2032 0.073 Uiso 1 1 calc R . .
H3B H -0.1481 0.0732 0.1858 0.073 Uiso 1 1 calc R . .
H3C H -0.1739 0.1708 0.1279 0.073 Uiso 1 1 calc R . .
C4 C 0.07559(15) 0.36824(19) 0.25419(10) 0.0499(5) Uani 1 1 d . . .
H4A H 0.1368 0.3437 0.2666 0.075 Uiso 1 1 calc R . .
H4B H 0.0502 0.4046 0.2945 0.075 Uiso 1 1 calc R . .
H4C H 0.0751 0.4260 0.2163 0.075 Uiso 1 1 calc R . .
C5 C 0.00089(17) 0.1855(2) 0.28930(11) 0.0571(6) Uani 1 1 d . . .
H5A H -0.0186 0.1083 0.2705 0.086 Uiso 1 1 calc R . .
H5B H -0.0469 0.2210 0.3144 0.086 Uiso 1 1 calc R . .
H5C H 0.0534 0.1745 0.3210 0.086 Uiso 1 1 calc R . .
C6 C 0.19463(11) 0.18057(14) -0.08846(9) 0.0290(4) Uani 1 1 d . . .
C7 C 0.27506(11) 0.11980(15) -0.06630(10) 0.0339(4) Uani 1 1 d . . .
C8 C 0.33094(13) 0.08138(18) -0.11636(12) 0.0480(5) Uani 1 1 d . . .
H8 H 0.3842 0.0410 -0.1021 0.058 Uiso 1 1 calc R . .
C9 C 0.31107(16) 0.1004(2) -0.18611(13) 0.0595(7) Uani 1 1 d . . .
H9 H 0.3504 0.0729 -0.2191 0.071 Uiso 1 1 calc R . .
C10 C 0.23423(16) 0.15925(19) -0.20812(11) 0.0517(6) Uani 1 1 d . . .
H10 H 0.2216 0.1717 -0.2563 0.062 Uiso 1 1 calc R . .
C11 C 0.17405(13) 0.20134(15) -0.16122(9) 0.0373(4) Uani 1 1 d . . .
C12 C 0.30037(11) 0.09645(15) 0.01132(10) 0.0357(4) Uani 1 1 d . . .
C13 C 0.31007(12) 0.21537(17) 0.05154(11) 0.0407(4) Uani 1 1 d . . .
H13A H 0.2528 0.2565 0.0496 0.061 Uiso 1 1 calc R . .
H13B H 0.3542 0.2654 0.0305 0.061 Uiso 1 1 calc R . .
H13C H 0.3294 0.1993 0.1000 0.061 Uiso 1 1 calc R . .
C14 C 0.23104(12) 0.01619(17) 0.04297(10) 0.0396(4) Uani 1 1 d . . .
H14A H 0.1736 0.0569 0.0410 0.059 Uiso 1 1 calc R . .
H14B H 0.2499 -0.0013 0.0913 0.059 Uiso 1 1 calc R . .
H14C H 0.2255 -0.0582 0.0167 0.059 Uiso 1 1 calc R . .
C15 C 0.39064(13) 0.03304(19) 0.02331(14) 0.0563(6) Uani 1 1 d . . .
H15A H 0.4059 0.0265 0.0732 0.084 Uiso 1 1 calc R . .
H15B H 0.4365 0.0789 0.0016 0.084 Uiso 1 1 calc R . .
H15C H 0.3868 -0.0465 0.0028 0.084 Uiso 1 1 calc R . .
C16 C 0.08846(15) 0.26423(17) -0.18808(10) 0.0464(5) Uani 1 1 d . . .
C17 C 0.08500(18) 0.39316(18) -0.16014(11) 0.0570(6) Uani 1 1 d . . .
H17A H 0.0941 0.3923 -0.1095 0.086 Uiso 1 1 calc R . .
H17B H 0.0270 0.4281 -0.1735 0.086 Uiso 1 1 calc R . .
H17C H 0.1317 0.4405 -0.1798 0.086 Uiso 1 1 calc R . .
C18 C 0.0799(2) 0.2744(3) -0.26804(12) 0.0829(9) Uani 1 1 d . . .
H18A H 0.1303 0.3194 -0.2839 0.124 Uiso 1 1 calc R . .
H18B H 0.0245 0.3154 -0.2824 0.124 Uiso 1 1 calc R . .
H18C H 0.0795 0.1947 -0.2885 0.124 Uiso 1 1 calc R . .
C19 C 0.00699(14) 0.19309(19) -0.16704(12) 0.0525(6) Uani 1 1 d . . .
H19A H 0.0095 0.1124 -0.1858 0.079 Uiso 1 1 calc R . .
H19B H -0.0474 0.2323 -0.1855 0.079 Uiso 1 1 calc R . .
H19C H 0.0072 0.1894 -0.1164 0.079 Uiso 1 1 calc R . .
C20 C 0.27261(11) 0.60204(16) -0.05530(9) 0.0308(4) Uani 1 1 d . . .
C21 C 0.29637(14) 0.48678(18) -0.07039(11) 0.0469(5) Uani 1 1 d . . .
H21 H 0.2530 0.4257 -0.0744 0.056 Uiso 1 1 calc R . .
C22 C 0.38467(16) 0.4622(2) -0.07952(12) 0.0588(6) Uani 1 1 d . . .
H22 H 0.4020 0.3832 -0.0895 0.071 Uiso 1 1 calc R . .
C23 C 0.44719(14) 0.5500(2) -0.07443(12) 0.0589(6) Uani 1 1 d . . .
H23 H 0.5074 0.5321 -0.0815 0.071 Uiso 1 1 calc R . .
C24 C 0.42302(14) 0.6639(2) -0.05913(13) 0.0604(6) Uani 1 1 d . . .
H24 H 0.4667 0.7247 -0.0552 0.072 Uiso 1 1 calc R . .
C25 C 0.33479(13) 0.69089(19) -0.04939(12) 0.0478(5) Uani 1 1 d . . .
H25 H 0.3178 0.7697 -0.0388 0.057 Uiso 1 1 calc R . .
C26 C 0.23776(10) 0.59972(14) 0.13848(9) 0.0282(4) Uani 1 1 d . . .
C27 C 0.29000(11) 0.49948(15) 0.13221(9) 0.0324(4) Uani 1 1 d . . .
H27 H 0.2972 0.4649 0.0881 0.039 Uiso 1 1 calc R . .
C28 C 0.33173(12) 0.45046(17) 0.19198(10) 0.0401(4) Uani 1 1 d . . .
H28 H 0.3673 0.3814 0.1885 0.048 Uiso 1 1 calc R . .
C29 C 0.32202(13) 0.50091(18) 0.25639(10) 0.0419(5) Uani 1 1 d . . .
H29 H 0.3505 0.4665 0.2968 0.050 Uiso 1 1 calc R . .
C30 C 0.27050(13) 0.60195(18) 0.26147(10) 0.0430(5) Uani 1 1 d . . .
H30 H 0.2639 0.6373 0.3055 0.052 Uiso 1 1 calc R . .
C31 C 0.22834(12) 0.65190(17) 0.20229(10) 0.0372(4) Uani 1 1 d . . .
H31 H 0.1933 0.7215 0.2058 0.045 Uiso 1 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
O1 Mg2 O3 115.26(6) . 3_565 ?
O1 Mg2 O2 108.91(5) . . ?
O3 Mg2 O2 107.72(5) 3_565 . ?
O1 Mg2 N1 117.74(6) . . ?
O3 Mg2 N1 108.14(6) 3_565 . ?
O2 Mg2 N1 97.20(6) . . ?
O3 P1 O2 118.65(7) . . ?
O3 P1 O5 105.07(7) . . ?
O2 P1 O5 111.38(6) . . ?
O3 P1 O4 108.36(7) . . ?
O2 P1 O4 109.75(6) . . ?
O5 P1 O4 102.31(7) . . ?
C1 N1 Mg2 136.50(12) . . ?
C1 N1 H1 111.7 . . ?
Mg2 N1 H1 111.7 . . ?
C1 N2 C2 119.68(14) . . ?
C1 N2 C3 121.98(16) . . ?
C2 N2 C3 113.79(16) . . ?
C1 N3 C4 120.27(15) . . ?
C1 N3 C5 122.18(17) . . ?
C4 N3 C5 114.08(17) . . ?
C6 O1 Mg2 163.18(11) . . ?
P1 O2 Mg2 151.19(7) . . ?
P1 O3 Mg2 156.58(8) . 3_565 ?
C26 O4 P1 127.21(10) . . ?
C20 O5 P1 121.22(10) . . ?
N1 C1 N2 119.82(15) . . ?
N1 C1 N3 122.63(16) . . ?
N2 C1 N3 117.55(15) . . ?
N2 C2 H2A 109.5 . . ?
N2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C3 H3A 109.5 . . ?
N2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N3 C4 H4A 109.5 . . ?
N3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N3 C5 H5A 109.5 . . ?
N3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O1 C6 C7 119.94(15) . . ?
O1 C6 C11 120.35(16) . . ?
C7 C6 C11 119.70(16) . . ?
C8 C7 C6 118.59(18) . . ?
C8 C7 C12 119.87(17) . . ?
C6 C7 C12 121.54(15) . . ?
C9 C8 C7 121.8(2) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C10 C9 C8 120.19(19) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 121.9(2) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 H10 119.1 . . ?
C10 C11 C6 117.83(19) . . ?
C10 C11 C16 120.10(19) . . ?
C6 C11 C16 122.05(16) . . ?
C14 C12 C15 106.56(16) . . ?
C14 C12 C7 110.65(15) . . ?
C15 C12 C7 112.71(17) . . ?
C14 C12 C13 110.66(16) . . ?
C15 C12 C13 105.63(15) . . ?
C7 C12 C13 110.46(15) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C11 C16 C19 109.83(16) . . ?
C11 C16 C18 112.8(2) . . ?
C19 C16 C18 106.48(19) . . ?
C11 C16 C17 111.09(17) . . ?
C19 C16 C17 110.43(18) . . ?
C18 C16 C17 106.06(18) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C25 C20 C21 121.12(17) . . ?
C25 C20 O5 117.88(16) . . ?
C21 C20 O5 120.96(16) . . ?
C20 C21 C22 118.7(2) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 H21 120.7 . . ?
C23 C22 C21 120.8(2) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 120.0(2) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 120.3(2) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C20 C25 C24 119.1(2) . . ?
C20 C25 H25 120.5 . . ?
C24 C25 H25 120.5 . . ?
C31 C26 C27 121.00(16) . . ?
C31 C26 O4 117.02(15) . . ?
C27 C26 O4 121.89(15) . . ?
C26 C27 C28 118.64(17) . . ?
C26 C27 H27 120.7 . . ?
C28 C27 H27 120.7 . . ?
C29 C28 C27 121.00(17) . . ?
C29 C28 H28 119.5 . . ?
C27 C28 H28 119.5 . . ?
C30 C29 C28 119.48(17) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C29 C30 C31 120.21(18) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C26 C31 C30 119.65(17) . . ?
C26 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
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
Mg2 O1 1.8807(12) . ?
Mg2 O3 1.9422(13) 3_565 ?
Mg2 O2 1.9622(12) . ?
Mg2 N1 2.0635(15) . ?
P1 O3 1.4842(12) . ?
P1 O2 1.4911(11) . ?
P1 O5 1.5930(12) . ?
P1 O4 1.6019(12) . ?
N1 C1 1.317(2) . ?
N1 H1 0.8800 . ?
N2 C1 1.364(2) . ?
N2 C2 1.464(2) . ?
N2 C3 1.470(2) . ?
N3 C1 1.372(2) . ?
N3 C4 1.461(3) . ?
N3 C5 1.474(2) . ?
O1 C6 1.3277(19) . ?
O3 Mg2 1.9422(13) 3_565 ?
O4 C26 1.4086(19) . ?
O5 C20 1.4089(19) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.436(3) . ?
C6 C11 1.441(3) . ?
C7 C8 1.392(3) . ?
C7 C12 1.548(3) . ?
C8 C9 1.380(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.380(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.406(3) . ?
C10 H10 0.9500 . ?
C11 C16 1.535(3) . ?
C12 C14 1.539(3) . ?
C12 C15 1.543(2) . ?
C12 C13 1.551(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C19 1.544(3) . ?
C16 C18 1.548(3) . ?
C16 C17 1.551(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C25 1.372(3) . ?
C20 C21 1.383(3) . ?
C21 C22 1.384(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.367(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.371(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.391(3) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C31 1.382(2) . ?
C26 C27 1.387(2) . ?
C27 C28 1.395(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.393(3) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
