#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/98/2019874.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2019874
loop_
_publ_author_name
'Bensegueni, Mohamed Abdellatif'
'Cherouana, Aouatef'
'Dahaoui, Slimane'
_publ_section_title
;
 Syntheses and crystal structures of two magnesium--tetrazole compounds in
 salt and polymeric forms
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229615002727
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac
'[Mg (C2 H1 N9) (H2 O1)3] [Mg2 (C2 H1 N9)2 (H2 O1)6]0.5, H2 O'
_chemical_formula_moiety         'C2 H7 Mg N9 O3, 0.5(C2 H7 Mg1 N9 O3), H2 O'
_chemical_formula_sum            'C4 H16 Mg2 N18 O7'
_chemical_formula_weight         476.97
_chemical_name_common
;catena-Poly[[[triaquamagnesium(II)]-μ-5,5'-(azanediyl)ditetrazolato-κ³N¹,N^1'^:N⁵]
hemi{bis[μ-5,5'-(azanediyl)ditetrazolato-κ³N¹,N^1'^:N²]bis[triaquamagnesium(II)]}
monohydrate]
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.193(3)
_cell_length_b                   23.924(2)
_cell_length_c                   7.284(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1776.3(9)
_computing_cell_refinement
;
CrysAlis PRO (Oxford Diffraction, 2008)
;
_computing_data_collection
;
CrysAlis PRO (Oxford Diffraction, 2008)
;
_computing_data_reduction
;
WinGX (Farrugia, 2012)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Agilent SuperNova CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  multi-layer
_diffrn_radiation_source         micro-source
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            11710
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.218
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.949
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.315
_refine_diff_density_min         -0.321
_refine_ls_abs_structure_details
;
Flack (1983), 2211 Friedel pairs
;
_refine_ls_abs_structure_Flack   0.2(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         4774
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0246P)²+1.0331P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0819
_reflns_number_gt                4077
_reflns_number_total             4774
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            yf3078sup1.cif
_cod_data_source_block           I
_cod_database_code               2019874
_cod_database_fobs_code          2019874
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Mg Mg1 0.50115(7) 0.33721(3) 0.02635(11) 0.01327(16) Uani d . 1 1
O O1 0.60271(17) 0.41205(8) 0.0317(3) 0.0241(4) Uani d D 1 1
O O2 0.49109(18) 0.34510(7) -0.2600(2) 0.0188(4) Uani d D 1 1
O O3 0.53430(19) 0.32912(9) 0.2999(3) 0.0235(4) Uani d D 1 1
N N1A 0.18005(17) 0.21526(8) 0.0248(3) 0.0161(4) Uani d . 1 1
N N2A 0.28684(19) 0.18243(9) 0.0575(4) 0.0233(5) Uani d . 1 1
N N3A 0.39155(19) 0.21302(9) 0.0647(3) 0.0239(5) Uani d . 1 1
N N4A 0.36058(18) 0.26780(8) 0.0351(3) 0.0167(4) Uani d . 1 1
N N5A 0.15612(18) 0.31376(8) -0.0190(4) 0.0228(5) Uani d D 1 1
N N6A 0.10960(19) 0.40934(9) 0.0424(4) 0.0228(5) Uani d . 1 1
N N7A 0.1858(2) 0.45318(9) 0.0927(3) 0.0228(5) Uani d . 1 1
N N8A 0.3079(2) 0.43770(9) 0.1063(3) 0.0206(5) Uani d . 1 1
N N9A 0.31781(18) 0.38264(8) 0.0622(3) 0.0167(4) Uani d . 1 1
C C1A 0.2302(2) 0.26725(9) 0.0127(3) 0.0140(5) Uani d . 1 1
C C2A 0.1946(2) 0.36724(10) 0.0268(4) 0.0155(5) Uani d . 1 1
Mg Mg2 0.36180(7) 0.06491(3) 0.47667(12) 0.01347(17) Uani d . 1 1
O O4 0.3591(2) 0.05454(8) 0.7615(3) 0.0219(4) Uani d D 1 1
O O5 0.16181(16) 0.07350(8) 0.4703(3) 0.0256(4) Uani d D 1 1
O O6 0.3704(2) 0.07773(8) 0.1950(3) 0.0247(4) Uani d D 1 1
N N1 0.38571(18) 0.15305(8) 0.5283(3) 0.0174(4) Uani d . 1 1
N N2 0.2826(2) 0.18799(9) 0.5576(3) 0.0230(5) Uani d . 1 1
N N3 0.3233(2) 0.23947(9) 0.5636(3) 0.0246(5) Uani d . 1 1
N N4 0.4560(2) 0.24092(8) 0.5390(3) 0.0232(5) Uani d . 1 1
N N5 0.61595(19) 0.16979(8) 0.4865(3) 0.0231(5) Uani d D 1 1
N N6 0.7749(2) 0.10230(9) 0.4039(3) 0.0188(5) Uani d . 1 1
N N7 0.7755(2) 0.04602(9) 0.3911(3) 0.0198(5) Uani d . 1 1
N N8 0.66009(18) 0.02641(8) 0.4340(3) 0.0155(4) Uani d . 1 1
N N9 0.57751(18) 0.06955(8) 0.4760(3) 0.0146(4) Uani d . 1 1
C C1 0.4894(2) 0.18680(9) 0.5171(3) 0.0151(5) Uani d . 1 1
C C2 0.6524(2) 0.11508(9) 0.4560(4) 0.0151(5) Uani d . 1 1
O O1W 0.5000 0.5000 -0.1771(4) 0.0264(6) Uani d SD 1 2
O O2W 0.5000 0.5000 0.3335(4) 0.0251(6) Uani d SD 1 2
H H1W 0.442(3) 0.4914(14) -0.251(4) 0.037(10) Uiso d D 1 1
H H2W 0.451(3) 0.4814(13) 0.261(4) 0.045(11) Uiso d D 1 1
H H5A 0.0746(17) 0.3114(11) -0.042(4) 0.022(7) Uiso d D 1 1
H H42 0.352(3) 0.0217(8) 0.814(4) 0.032(9) Uiso d D 1 1
H H31 0.498(3) 0.3021(10) 0.353(4) 0.027(8) Uiso d D 1 1
H H22 0.499(3) 0.3145(9) -0.310(4) 0.031(9) Uiso d D 1 1
H H12 0.579(3) 0.4397(11) -0.037(4) 0.045(10) Uiso d D 1 1
H H51 0.111(3) 0.0499(12) 0.526(5) 0.061(12) Uiso d D 1 1
H H21 0.419(2) 0.3609(12) -0.305(4) 0.036(9) Uiso d D 1 1
H H62 0.443(3) 0.0713(16) 0.142(5) 0.064(13) Uiso d D 1 1
H H11 0.670(3) 0.4210(15) 0.092(5) 0.054(12) Uiso d D 1 1
H H41 0.421(3) 0.0699(12) 0.817(5) 0.060(13) Uiso d D 1 1
H H32 0.611(2) 0.3349(15) 0.342(5) 0.058(12) Uiso d D 1 1
H H5 0.673(2) 0.1932(10) 0.457(4) 0.028(8) Uiso d D 1 1
H H52 0.115(3) 0.0953(11) 0.411(4) 0.037(10) Uiso d D 1 1
H H61 0.338(3) 0.1054(10) 0.150(5) 0.042(11) Uiso d D 1 1
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 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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_site_symmetry_3
_geom_angle
O3 Mg1 O1 . 88.89(9)
O3 Mg1 O2 . 173.21(9)
O1 Mg1 O2 . 88.02(8)
O3 Mg1 N9A . 94.16(9)
O1 Mg1 N9A . 89.72(8)
O2 Mg1 N9A . 91.86(8)
O3 Mg1 N4A . 90.46(8)
O1 Mg1 N4A . 168.90(8)
O2 Mg1 N4A . 93.73(8)
N9A Mg1 N4A . 79.27(8)
O3 Mg1 N1A 3 88.54(9)
O1 Mg1 N1A 3 94.63(8)
O2 Mg1 N1A 3 85.69(8)
N9A Mg1 N1A 3 174.93(8)
N4A Mg1 N1A 3 96.43(8)
Mg1 O1 H12 . 121(2)
Mg1 O1 H11 . 129(3)
H12 O1 H11 . 110(3)
Mg1 O2 H22 . 111(2)
Mg1 O2 H21 . 117(2)
H22 O2 H21 . 107(3)
Mg1 O3 H31 . 117(2)
Mg1 O3 H32 . 119(3)
H31 O3 H32 . 111(3)
C1A N1A N2A . 103.90(18)
C1A N1A Mg1 3_455 144.43(15)
N2A N1A Mg1 3_455 110.81(14)
N3A N2A N1A . 109.85(19)
N2A N3A N4A . 110.21(18)
C1A N4A N3A . 103.85(18)
C1A N4A Mg1 . 130.69(16)
N3A N4A Mg1 . 125.45(14)
C1A N5A C2A . 123.92(19)
C1A N5A H5A . 121.3(19)
C2A N5A H5A . 112.9(19)
C2A N6A N7A . 103.62(19)
N8A N7A N6A . 110.4(2)
N7A N8A N9A . 109.17(19)
C2A N9A N8A . 104.09(19)
C2A N9A Mg1 . 130.30(17)
N8A N9A Mg1 . 125.14(15)
N4A C1A N1A . 112.19(19)
N4A C1A N5A . 124.2(2)
N1A C1A N5A . 123.62(19)
N6A C2A N9A . 112.7(2)
N6A C2A N5A . 122.5(2)
N9A C2A N5A . 124.8(2)
O5 Mg2 O6 . 90.27(9)
O5 Mg2 O4 . 91.22(9)
O6 Mg2 O4 . 177.63(9)
O5 Mg2 N1 . 91.05(8)
O6 Mg2 N1 . 91.33(9)
O4 Mg2 N1 . 86.81(8)
O5 Mg2 N9 . 171.23(8)
O6 Mg2 N9 . 87.04(9)
O4 Mg2 N9 . 91.21(9)
N1 Mg2 N9 . 80.68(7)
O5 Mg2 N8 2_655 89.74(8)
O6 Mg2 N8 2_655 90.66(8)
O4 Mg2 N8 2_655 91.19(8)
N1 Mg2 N8 2_655 177.86(9)
N9 Mg2 N8 2_655 98.62(7)
Mg2 O4 H42 . 122.7(19)
Mg2 O4 H41 . 115(3)
H42 O4 H41 . 104(2)
Mg2 O5 H51 . 121(2)
Mg2 O5 H52 . 130(2)
H51 O5 H52 . 109(2)
Mg2 O6 H62 . 117(3)
Mg2 O6 H61 . 120(3)
H62 O6 H61 . 109(4)
C1 N1 N2 . 104.49(18)
C1 N1 Mg2 . 132.20(15)
N2 N1 Mg2 . 122.76(15)
N3 N2 N1 . 109.91(19)
N2 N3 N4 . 109.64(19)
C1 N4 N3 . 103.96(19)
C1 N5 C2 . 124.15(19)
C1 N5 H5 . 120.0(19)
C2 N5 H5 . 114(2)
C2 N6 N7 . 104.58(19)
N8 N7 N6 . 109.75(19)
N7 N8 N9 . 109.72(18)
N7 N8 Mg2 2_655 118.59(15)
N9 N8 Mg2 2_655 130.60(15)
C2 N9 N8 . 103.84(18)
C2 N9 Mg2 . 127.66(16)
N8 N9 Mg2 . 125.27(15)
N1 C1 N4 . 112.0(2)
N1 C1 N5 . 125.2(2)
N4 C1 N5 . 122.8(2)
N9 C2 N6 . 112.1(2)
N9 C2 N5 . 127.0(2)
N6 C2 N5 . 120.9(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Mg1 O3 . 2.030(2)
Mg1 O1 . 2.0686(19)
Mg1 O2 . 2.096(2)
Mg1 N9A . 2.178(2)
Mg1 N4A . 2.194(2)
Mg1 N1A 3 2.245(2)
O1 H12 . 0.865(18)
O1 H11 . 0.842(19)
O2 H22 . 0.823(17)
O2 H21 . 0.888(18)
O3 H31 . 0.840(17)
O3 H32 . 0.849(18)
N1A C1A . 1.347(3)
N1A N2A . 1.363(3)
N1A Mg1 3_455 2.245(2)
N2A N3A . 1.295(3)
N3A N4A . 1.365(3)
N4A C1A . 1.339(3)
N5A C1A . 1.364(3)
N5A C2A . 1.379(3)
N5A H5A . 0.849(17)
N6A C2A . 1.333(3)
N6A N7A . 1.355(3)
N7A N8A . 1.303(3)
N8A N9A . 1.360(3)
N1A C1A . 1.347(3)
N1A N2A . 1.363(3)
Mg2 O6 . 2.076(3)
Mg2 O4 . 2.090(3)
Mg2 N1 . 2.156(2)
Mg2 N9 . 2.202(2)
Mg2 N8 2_655 2.218(2)
O4 H42 . 0.877(17)
O4 H41 . 0.838(18)
O5 H51 . 0.865(17)
O5 H52 . 0.827(17)
O6 H62 . 0.853(19)
O6 H61 . 0.808(18)
N1 C1 . 1.332(3)
N1 N2 . 1.360(3)
N2 N3 . 1.301(3)
N3 N4 . 1.364(3)
N4 C1 . 1.348(3)
N5 C1 . 1.371(3)
N5 C2 . 1.379(3)
N5 H5 . 0.837(17)
N6 C2 . 1.340(3)
N6 N7 . 1.349(3)
N7 N8 . 1.305(3)
N8 N9 . 1.367(3)
N8 Mg2 2_655 2.218(2)
N9 C2 . 1.338(3)
O1W H1W . 0.827(17)
O2W H2W . 0.854(18)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1W H1W N7 3_455 0.83(3) 2.17(3) 2.980(3) 166(3)
O2W H2W N8A ? 0.85(3) 2.12(3) 2.966(3) 172(3)
N5 H5 N3 3_556 0.84(2) 2.23(2) 3.052(4) 169(3)
N5A H5A N3A 3_455 0.85(2) 1.962(19) 2.793(3) 165(3)
O1 H11 O4 3_556 0.84(3) 2.28(3) 3.121(4) 177(3)
O1 H12 O1W ? 0.86(3) 1.94(3) 2.799(3) 172(3)
O2 H21 N6 3_455 0.89(2) 1.86(2) 2.746(3) 176(2)
O2 H22 N4 1_554 0.82(2) 2.12(2) 2.913(3) 162(3)
O3 H31 N4 ? 0.84(3) 2.04(3) 2.850(4) 162(3)
O3 H32 N2 3_556 0.85(2) 1.97(2) 2.766(3) 155(3)
O4 H41 N6A 3_556 0.84(3) 2.23(3) 3.051(4) 166(3)
O4 H42 N7A 4_546 0.88(2) 1.82(2) 2.687(3) 172(3)
O5 H51 O2W 3_456 0.87(3) 1.94(3) 2.803(3) 176(3)
O5 H52 O2 3_455 0.83(3) 2.20(3) 3.028(3) 178(4)
O6 H61 N2A ? 0.81(3) 2.03(3) 2.829(4) 169(3)
O6 H62 N6A 3_555 0.85(3) 2.21(3) 3.005(4) 155(4)
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C1A N1A N2A N3A . . 0.3(3)
Mg1 N1A N2A N3A 3_455 . 172.36(18)
N1A N2A N3A N4A . . -0.7(3)
N2A N3A N4A C1A . . 0.9(3)
N2A N3A N4A Mg1 . . -178.56(17)
O3 Mg1 N4A C1A . . 111.6(2)
O1 Mg1 N4A C1A . . 25.0(6)
O2 Mg1 N4A C1A . . -73.8(2)
N9A Mg1 N4A C1A . . 17.4(2)
N1A Mg1 N4A C1A 3 . -159.9(2)
O3 Mg1 N4A N3A . . -69.2(2)
O1 Mg1 N4A N3A . . -155.8(4)
O2 Mg1 N4A N3A . . 105.5(2)
N9A Mg1 N4A N3A . . -163.3(2)
N1A Mg1 N4A N3A 3 . 19.4(2)
C2A N6A N7A N8A . . -0.2(3)
N6A N7A N8A N9A . . 1.0(3)
N7A N8A N9A C2A . . -1.4(3)
N7A N8A N9A Mg1 . . 171.49(16)
O3 Mg1 N9A C2A . . -111.0(2)
O1 Mg1 N9A C2A . . 160.1(2)
O2 Mg1 N9A C2A . . 72.1(2)
N4A Mg1 N9A C2A . . -21.4(2)
O3 Mg1 N9A N8A . . 78.1(2)
O1 Mg1 N9A N8A . . -10.8(2)
O2 Mg1 N9A N8A . . -98.8(2)
N3A N4A C1A N1A . . -0.7(3)
Mg1 N4A C1A N1A . . 178.68(17)
N3A N4A C1A N5A . . 179.4(2)
Mg1 N4A C1A N5A . . -1.2(4)
N2A N1A C1A N4A . . 0.3(3)
Mg1 N1A C1A N4A 3_455 . -166.9(2)
N2A N1A C1A N5A . . -179.8(3)
Mg1 N1A C1A N5A 3_455 . 13.0(5)
C2A N5A C1A N4A . . -22.4(4)
C2A N5A C1A N1A . . 157.7(2)
N7A N6A C2A N9A . . -0.7(3)
N7A N6A C2A N5A . . 178.6(2)
N8A N9A C2A N6A . . 1.3(3)
Mg1 N9A C2A N6A . . -171.06(18)
N8A N9A C2A N5A . . -178.0(2)
Mg1 N9A C2A N5A . . 9.7(4)
C1A N5A C2A N6A . . -160.9(3)
C1A N5A C2A N9A . . 18.3(4)
O5 Mg2 N1 C1 . . -164.7(2)
O6 Mg2 N1 C1 . . -74.4(2)
O4 Mg2 N1 C1 . . 104.1(2)
N9 Mg2 N1 C1 . . 12.4(2)
O5 Mg2 N1 N2 . . 5.4(2)
O6 Mg2 N1 N2 . . 95.7(2)
O4 Mg2 N1 N2 . . -85.7(2)
N9 Mg2 N1 N2 . . -177.5(2)
C1 N1 N2 N3 . . -0.1(3)
Mg2 N1 N2 N3 . . -172.58(18)
N1 N2 N3 N4 . . -0.2(3)
N2 N3 N4 C1 . . 0.4(3)
C2 N6 N7 N8 . . -0.3(3)
N6 N7 N8 N9 . . 0.4(3)
N6 N7 N8 Mg2 . 2_655 -168.87(15)
N7 N8 N9 C2 . . -0.4(3)
Mg2 N8 N9 C2 2_655 . 167.20(18)
N7 N8 N9 Mg2 . . 160.51(17)
Mg2 N8 N9 Mg2 2_655 . -31.9(3)
O6 Mg2 N9 C2 . . 73.8(2)
O4 Mg2 N9 C2 . . -104.6(2)
N1 Mg2 N9 C2 . . -18.1(2)
N8 Mg2 N9 C2 2_655 . 164.0(2)
O6 Mg2 N9 N8 . . -82.6(2)
O4 Mg2 N9 N8 . . 99.05(19)
N1 Mg2 N9 N8 . . -174.4(2)
N8 Mg2 N9 N8 2_655 . 7.66(18)
N2 N1 C1 N4 . . 0.4(3)
Mg2 N1 C1 N4 . . 171.81(18)
N2 N1 C1 N5 . . -179.5(2)
Mg2 N1 C1 N5 . . -8.0(4)
N3 N4 C1 N1 . . -0.5(3)
N3 N4 C1 N5 . . 179.4(2)
C2 N5 C1 N1 . . 2.7(4)
C2 N5 C1 N4 . . -177.1(3)
N8 N9 C2 N6 . . 0.2(3)
Mg2 N9 C2 N6 . . -160.06(18)
N8 N9 C2 N5 . . -178.4(2)
Mg2 N9 C2 N5 . . 21.4(4)
N7 N6 C2 N9 . . 0.0(3)
N7 N6 C2 N5 . . 178.7(2)
C1 N5 C2 N9 . . -10.2(4)
C1 N5 C2 N6 . . 171.4(2)
