#------------------------------------------------------------------------------
#$Date: 2017-07-25 12:00:19 +0300 (Tue, 25 Jul 2017) $
#$Revision: 199069 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/07/2020775.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_2020775
loop_
_publ_author_name
'Liu, Jian-Jun'
'Liu, Teng'
'Huang, Chang-Cang'
_publ_section_title
;
 Synthesis and characterization of a photochromic magnesium(II)
 coordination polymer based on a naphthalene diimide ligand
;
_journal_coeditor_code           YF3120
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              437
_journal_page_last               441
_journal_paper_doi               10.1107/S2053229617006544
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Mg (C28 H13 N2 O8)2 (C3 H7 N O)2]'
_chemical_formula_moiety         'C62 H40 Mg N6 O18'
_chemical_formula_sum            'C62 H40 Mg N6 O18'
_chemical_formula_weight         1181.31
_chemical_name_systematic
catena-Poly[[bis(dimethylformamide-κO)magnesium(II)]bis[μ-N-(3-carboxyphenyl)-N'-(3-carboxylatophenyl)naphthalene-1,8:4,5-tetracarboximide-κ²O:O']]
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                96.056(3)
_cell_angle_beta                 92.679(3)
_cell_angle_gamma                115.714(4)
_cell_formula_units_Z            1
_cell_length_a                   9.2595(4)
_cell_length_b                   10.2711(3)
_cell_length_c                   16.0049(5)
_cell_measurement_reflns_used    4416
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      30.3050
_cell_measurement_theta_min      2.5600
_cell_volume                     1356.47(10)
_computing_cell_refinement
;
CrystalClear (Rigaku, 2002)
;
_computing_data_collection
;
CrystalClear (Rigaku, 2002)
;
_computing_data_reduction
;
CrystalClear (Rigaku, 2002)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Rigaku Saturn 724 CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11817
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.720
_exptl_absorpt_coefficient_mu    0.118
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(RAPID-AUTO; Rigaku, 1998)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_description       block
_exptl_crystal_F_000             610
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.278
_refine_diff_density_min         -0.358
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         5346
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0702P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1219
_refine_ls_wR_factor_ref         0.1325
_reflns_number_gt                3779
_reflns_number_total             5346
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            yf3120sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1356.47(9)
_cod_database_code               2020775
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_occupancy
Mg Mg1 0.5000 0.5000 0.0000 0.0242(2) Uani d 1
O O1 0.66770(18) 0.67020(17) 0.08226(9) 0.0379(4) Uani d 1
O O2 0.8779(2) 0.83854(18) 0.02998(10) 0.0510(5) Uani d 1
H H2A 0.861(4) 0.782(3) -0.0165(11) 0.076 Uiso d 1
O O3 0.86387(16) 0.79463(18) 0.43684(9) 0.0358(4) Uani d 1
O O4 0.53270(16) 0.97666(16) 0.33614(9) 0.0305(3) Uani d 1
O O5 0.32634(17) 0.48081(17) 0.73603(9) 0.0347(4) Uani d 1
O O6 -0.04390(16) 0.58976(15) 0.60254(9) 0.0296(3) Uani d 1
O O7 -0.32602(17) 0.47366(16) 0.93384(9) 0.0343(4) Uani d 1
O O8 -0.1435(2) 0.68347(17) 0.89849(10) 0.0459(4) Uani d 1
O O9 0.49130(18) 0.64797(17) -0.07407(9) 0.0365(4) Uani d 1
N N1 0.69306(18) 0.87747(17) 0.38331(9) 0.0219(4) Uani d 1
N N2 0.14153(18) 0.53810(17) 0.67140(10) 0.0222(4) Uani d 1
N N3 0.4236(2) 0.8138(2) -0.12225(14) 0.0464(5) Uani d 1
C C1 0.7887(3) 0.7883(2) 0.08897(13) 0.0298(5) Uani d 1
C C2 0.8407(2) 0.8851(2) 0.17158(12) 0.0243(4) Uani d 1
C C3 0.9812(2) 1.0156(2) 0.18413(13) 0.0280(5) Uani d 1
H H3 1.0444 1.0470 0.1387 0.034 Uiso calc 1
C C4 1.0286(2) 1.0994(2) 0.26247(14) 0.0317(5) Uani d 1
H H4 1.1252 1.1879 0.2710 0.038 Uiso calc 1
C C5 0.9357(2) 1.0550(2) 0.32891(13) 0.0279(5) Uani d 1
H H5 0.9687 1.1121 0.3831 0.034 Uiso calc 1
C C6 0.7942(2) 0.9263(2) 0.31519(12) 0.0225(4) Uani d 1
C C7 0.7459(2) 0.8410(2) 0.23772(12) 0.0234(4) Uani d 1
H H7 0.6489 0.7528 0.2293 0.028 Uiso calc 1
C C8 0.5547(2) 0.9015(2) 0.38359(12) 0.0226(4) Uani d 1
C C9 0.7386(2) 0.8054(2) 0.44077(12) 0.0239(4) Uani d 1
C C10 0.6256(2) 0.7410(2) 0.50406(12) 0.0222(4) Uani d 1
C C11 0.4780(2) 0.7505(2) 0.50178(11) 0.0201(4) Uani d 1
C C12 0.4390(2) 0.8278(2) 0.44399(11) 0.0209(4) Uani d 1
C C13 0.2924(2) 0.8328(2) 0.44234(12) 0.0239(4) Uani d 1
H H13 0.2681 0.8873 0.4043 0.029 Uiso calc 1
C C14 0.1790(2) 0.7579(2) 0.49646(12) 0.0228(4) Uani d 1
H H14 0.0767 0.7587 0.4932 0.027 Uiso calc 1
C C15 0.2149(2) 0.6831(2) 0.55429(12) 0.0209(4) Uani d 1
C C16 0.3661(2) 0.6807(2) 0.55903(11) 0.0202(4) Uani d 1
C C17 0.4077(2) 0.6079(2) 0.61901(11) 0.0214(4) Uani d 1
C C18 0.5539(2) 0.6025(2) 0.62074(12) 0.0242(4) Uani d 1
H H18 0.5814 0.5543 0.6617 0.029 Uiso calc 1
C C19 0.6625(2) 0.6677(2) 0.56230(12) 0.0242(4) Uani d 1
H H19 0.7619 0.6612 0.5630 0.029 Uiso calc 1
C C20 0.2931(2) 0.5372(2) 0.68052(12) 0.0239(4) Uani d 1
C C21 0.0923(2) 0.6016(2) 0.60953(12) 0.0216(4) Uani d 1
C C22 0.0234(2) 0.4614(2) 0.72746(12) 0.0228(4) Uani d 1
C C23 -0.0294(2) 0.3122(2) 0.72589(12) 0.0264(5) Uani d 1
H H23 0.0141 0.2613 0.6902 0.032 Uiso calc 1
C C24 -0.1461(3) 0.2386(2) 0.77713(14) 0.0323(5) Uani d 1
H H24 -0.1834 0.1365 0.7764 0.039 Uiso calc 1
C C25 -0.2091(3) 0.3129(2) 0.82941(13) 0.0316(5) Uani d 1
H H25 -0.2912 0.2612 0.8633 0.038 Uiso calc 1
C C26 -0.1523(2) 0.4632(2) 0.83249(12) 0.0267(5) Uani d 1
C C27 -0.0345(2) 0.5377(2) 0.78099(12) 0.0264(5) Uani d 1
H H27 0.0055 0.6403 0.7828 0.032 Uiso calc 1
C C28 -0.2143(3) 0.5449(2) 0.89273(13) 0.0321(5) Uani d 1
C C29 0.3972(3) 0.7010(2) -0.08188(14) 0.0366(5) Uani d 1
H H29 0.2986 0.6585 -0.0574 0.044 Uiso calc 1
C C30 0.5740(3) 0.8808(4) -0.1608(2) 0.0744(10) Uani d 1
H H30A 0.6498 0.9692 -0.1239 0.112 Uiso calc 1
H H30B 0.5523 0.9065 -0.2157 0.112 Uiso calc 1
H H30C 0.6209 0.8118 -0.1687 0.112 Uiso calc 1
C C31 0.3168(4) 0.8826(3) -0.1246(2) 0.0701(9) Uani d 1
H H31A 0.2198 0.8260 -0.0981 0.105 Uiso calc 1
H H31B 0.2865 0.8867 -0.1834 0.105 Uiso calc 1
H H31C 0.3717 0.9819 -0.0939 0.105 Uiso calc 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 0.0000 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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Mg1 O1 2_665 . 180.0
O1 Mg1 O9 2_665 2_665 88.54(6)
O1 Mg1 O9 . 2_665 91.46(6)
O1 Mg1 O9 2_665 . 91.46(6)
O1 Mg1 O9 . . 88.54(6)
O9 Mg1 O9 2_665 . 180.0
O1 Mg1 O7 2_665 1_654 87.35(6)
O1 Mg1 O7 . 1_654 92.65(6)
O9 Mg1 O7 2_665 1_654 88.16(6)
O9 Mg1 O7 . 1_654 91.84(6)
O1 Mg1 O7 2_665 2_566 92.65(6)
O1 Mg1 O7 . 2_566 87.35(6)
O9 Mg1 O7 2_665 2_566 91.84(6)
O9 Mg1 O7 . 2_566 88.16(6)
O7 Mg1 O7 1_654 2_566 180.0
C1 O1 Mg1 . . 145.30(14)
C1 O2 H2A . . 118(2)
C28 O7 Mg1 . 1_456 139.00(14)
C29 O9 Mg1 . . 132.21(14)
C9 N1 C8 . . 125.65(15)
C9 N1 C6 . . 116.96(14)
C8 N1 C6 . . 117.33(14)
C21 N2 C20 . . 125.00(15)
C21 N2 C22 . . 117.00(14)
C20 N2 C22 . . 117.93(15)
C29 N3 C31 . . 123.3(2)
C29 N3 C30 . . 119.0(2)
C31 N3 C30 . . 117.6(2)
O1 C1 O2 . . 125.8(2)
O1 C1 C2 . . 119.30(18)
O2 C1 C2 . . 114.94(18)
C3 C2 C7 . . 119.92(18)
C3 C2 C1 . . 121.77(18)
C7 C2 C1 . . 118.30(17)
C4 C3 C2 . . 120.03(18)
C4 C3 H3 . . 120.0
C2 C3 H3 . . 120.0
C3 C4 C5 . . 120.29(19)
C3 C4 H4 . . 119.9
C5 C4 H4 . . 119.9
C6 C5 C4 . . 119.15(19)
C6 C5 H5 . . 120.4
C4 C5 H5 . . 120.4
C7 C6 C5 . . 121.30(18)
C7 C6 N1 . . 118.16(17)
C5 C6 N1 . . 120.54(17)
C6 C7 C2 . . 119.28(18)
C6 C7 H7 . . 120.4
C2 C7 H7 . . 120.4
O4 C8 N1 . . 120.92(16)
O4 C8 C12 . . 123.00(16)
N1 C8 C12 . . 116.07(16)
O3 C9 N1 . . 120.55(17)
O3 C9 C10 . . 122.66(17)
N1 C9 C10 . . 116.77(15)
C19 C10 C11 . . 120.61(17)
C19 C10 C9 . . 119.83(16)
C11 C10 C9 . . 119.51(16)
C12 C11 C10 . . 121.68(17)
C12 C11 C16 . . 119.15(16)
C10 C11 C16 . . 119.17(16)
C13 C12 C11 . . 120.23(17)
C13 C12 C8 . . 119.90(16)
C11 C12 C8 . . 119.86(16)
C12 C13 C14 . . 120.41(17)
C12 C13 H13 . . 119.8
C14 C13 H13 . . 119.8
C15 C14 C13 . . 120.51(16)
C15 C14 H14 . . 119.7
C13 C14 H14 . . 119.7
C14 C15 C16 . . 120.01(17)
C14 C15 C21 . . 119.79(16)
C16 C15 C21 . . 120.18(16)
C15 C16 C17 . . 121.25(17)
C15 C16 C11 . . 119.58(16)
C17 C16 C11 . . 119.17(16)
C18 C17 C16 . . 120.37(17)
C18 C17 C20 . . 119.93(16)
C16 C17 C20 . . 119.70(16)
C17 C18 C19 . . 120.41(17)
C17 C18 H18 . . 119.8
C19 C18 H18 . . 119.8
C10 C19 C18 . . 120.22(16)
C10 C19 H19 . . 119.9
C18 C19 H19 . . 119.9
O5 C20 N2 . . 120.80(17)
O5 C20 C17 . . 122.31(17)
N2 C20 C17 . . 116.89(16)
O6 C21 N2 . . 120.93(17)
O6 C21 C15 . . 122.49(16)
N2 C21 C15 . . 116.58(15)
C27 C22 C23 . . 121.17(18)
C27 C22 N2 . . 119.57(17)
C23 C22 N2 . . 119.26(17)
C24 C23 C22 . . 119.07(18)
C24 C23 H23 . . 120.5
C22 C23 H23 . . 120.5
C23 C24 C25 . . 120.44(19)
C23 C24 H24 . . 119.8
C25 C24 H24 . . 119.8
C24 C25 C26 . . 120.18(19)
C24 C25 H25 . . 119.9
C26 C25 H25 . . 119.9
C25 C26 C27 . . 119.51(18)
C25 C26 C28 . . 120.11(18)
C27 C26 C28 . . 120.36(18)
C22 C27 C26 . . 119.57(19)
C22 C27 H27 . . 120.2
C26 C27 H27 . . 120.2
O7 C28 O8 . . 125.51(19)
O7 C28 C26 . . 118.36(19)
O8 C28 C26 . . 116.10(18)
O9 C29 N3 . . 124.2(2)
O9 C29 H29 . . 117.9
N3 C29 H29 . . 117.9
N3 C30 H30A . . 109.5
N3 C30 H30B . . 109.5
H30A C30 H30B . . 109.5
N3 C30 H30C . . 109.5
H30A C30 H30C . . 109.5
H30B C30 H30C . . 109.5
N3 C31 H31A . . 109.5
N3 C31 H31B . . 109.5
H31A C31 H31B . . 109.5
N3 C31 H31C . . 109.5
H31A C31 H31C . . 109.5
H31B C31 H31C . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Mg1 O1 2_665 2.0416(15)
Mg1 O1 . 2.0417(15)
Mg1 O9 2_665 2.0491(14)
Mg1 O9 . 2.0491(14)
Mg1 O7 1_654 2.0656(13)
Mg1 O7 2_566 2.0656(13)
O1 C1 . 1.233(2)
O2 C1 . 1.283(2)
O2 H2A . 0.855(10)
O3 C9 . 1.215(2)
O4 C8 . 1.208(2)
O5 C20 . 1.207(2)
O6 C21 . 1.212(2)
O7 C28 . 1.244(2)
O7 Mg1 1_456 2.0657(13)
O8 C28 . 1.273(3)
O9 C29 . 1.219(3)
N1 C9 . 1.397(2)
N1 C8 . 1.406(2)
N1 C6 . 1.456(2)
N2 C21 . 1.402(2)
N2 C20 . 1.409(2)
N2 C22 . 1.454(2)
N3 C29 . 1.322(3)
N3 C31 . 1.445(3)
N3 C30 . 1.460(3)
C1 C2 . 1.488(3)
C2 C3 . 1.391(3)
C2 C7 . 1.392(3)
C3 C4 . 1.378(3)
C3 H3 . 0.9500
C4 C5 . 1.387(3)
C4 H4 . 0.9500
C5 C6 . 1.386(3)
C5 H5 . 0.9500
C6 C7 . 1.373(3)
C7 H7 . 0.9500
C8 C12 . 1.484(3)
C9 C10 . 1.483(3)
C10 C19 . 1.376(3)
C10 C11 . 1.411(3)
C11 C12 . 1.411(3)
C11 C16 . 1.418(3)
C12 C13 . 1.379(3)
C13 C14 . 1.403(3)
C13 H13 . 0.9500
C14 C15 . 1.379(3)
C14 H14 . 0.9500
C15 C16 . 1.410(3)
C15 C21 . 1.482(3)
C16 C17 . 1.412(3)
C17 C18 . 1.379(3)
C17 C20 . 1.484(3)
C18 C19 . 1.404(3)
C18 H18 . 0.9500
C19 H19 . 0.9500
C22 C27 . 1.379(3)
C22 C23 . 1.389(3)
C23 C24 . 1.385(3)
C23 H23 . 0.9500
C24 C25 . 1.385(3)
C24 H24 . 0.9500
C25 C26 . 1.392(3)
C25 H25 . 0.9500
C26 C27 . 1.395(3)
C26 C28 . 1.504(3)
C27 H27 . 0.9500
C29 H29 . 0.9500
C30 H30A . 0.9800
C30 H30B . 0.9800
C30 H30C . 0.9800
C31 H31A . 0.9800
C31 H31B . 0.9800
C31 H31C . 0.9800
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
O2 H2A O8 1_654 0.855(10) 1.598(11) 2.447(2) 171(3)
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
Mg1 O1 C1 O2 . -14.5(4)
Mg1 O1 C1 C2 . 165.48(17)
O1 C1 C2 C3 . 176.29(18)
O2 C1 C2 C3 . -3.8(3)
O1 C1 C2 C7 . -2.7(3)
O2 C1 C2 C7 . 177.24(18)
C7 C2 C3 C4 . 1.6(3)
C1 C2 C3 C4 . -177.42(19)
C2 C3 C4 C5 . -0.7(3)
C3 C4 C5 C6 . -0.6(3)
C4 C5 C6 C7 . 1.1(3)
C4 C5 C6 N1 . -179.29(17)
C9 N1 C6 C7 . 98.4(2)
C8 N1 C6 C7 . -79.0(2)
C9 N1 C6 C5 . -81.1(2)
C8 N1 C6 C5 . 101.4(2)
C5 C6 C7 C2 . -0.3(3)
N1 C6 C7 C2 . -179.90(15)
C3 C2 C7 C6 . -1.0(3)
C1 C2 C7 C6 . 177.99(17)
C9 N1 C8 O4 . 173.12(18)
C6 N1 C8 O4 . -9.7(3)
C9 N1 C8 C12 . -7.8(3)
C6 N1 C8 C12 . 169.41(16)
C8 N1 C9 O3 . -177.42(18)
C6 N1 C9 O3 . 5.4(3)
C8 N1 C9 C10 . 4.0(3)
C6 N1 C9 C10 . -173.18(16)
O3 C9 C10 C19 . 1.1(3)
N1 C9 C10 C19 . 179.66(17)
O3 C9 C10 C11 . -176.37(18)
N1 C9 C10 C11 . 2.2(3)
C19 C10 C11 C12 . 178.51(18)
C9 C10 C11 C12 . -4.0(3)
C19 C10 C11 C16 . -1.5(3)
C9 C10 C11 C16 . 176.00(18)
C10 C11 C12 C13 . 178.79(17)
C16 C11 C12 C13 . -1.2(3)
C10 C11 C12 C8 . 0.0(3)
C16 C11 C12 C8 . -179.96(17)
O4 C8 C12 C13 . 5.9(3)
N1 C8 C12 C13 . -173.19(17)
O4 C8 C12 C11 . -175.37(18)
N1 C8 C12 C11 . 5.6(3)
C11 C12 C13 C14 . -1.7(3)
C8 C12 C13 C14 . 177.03(18)
C12 C13 C14 C15 . 2.6(3)
C13 C14 C15 C16 . -0.4(3)
C13 C14 C15 C21 . -178.53(18)
C14 C15 C16 C17 . 178.45(17)
C21 C15 C16 C17 . -3.4(3)
C14 C15 C16 C11 . -2.5(3)
C21 C15 C16 C11 . 175.58(17)
C12 C11 C16 C15 . 3.3(3)
C10 C11 C16 C15 . -176.68(17)
C12 C11 C16 C17 . -177.63(17)
C10 C11 C16 C17 . 2.4(3)
C15 C16 C17 C18 . 177.76(17)
C11 C16 C17 C18 . -1.3(3)
C15 C16 C17 C20 . -2.3(3)
C11 C16 C17 C20 . 178.64(17)
C16 C17 C18 C19 . -0.7(3)
C20 C17 C18 C19 . 179.34(18)
C11 C10 C19 C18 . -0.5(3)
C9 C10 C19 C18 . -178.01(18)
C17 C18 C19 C10 . 1.7(3)
C21 N2 C20 O5 . 179.47(18)
C22 N2 C20 O5 . -3.7(3)
C21 N2 C20 C17 . -0.6(3)
C22 N2 C20 C17 . 176.13(16)
C18 C17 C20 O5 . 4.2(3)
C16 C17 C20 O5 . -175.72(18)
C18 C17 C20 N2 . -175.69(17)
C16 C17 C20 N2 . 4.4(3)
C20 N2 C21 O6 . 175.29(17)
C22 N2 C21 O6 . -1.5(3)
C20 N2 C21 C15 . -4.9(3)
C22 N2 C21 C15 . 178.33(16)
C14 C15 C21 O6 . 4.9(3)
C16 C15 C21 O6 . -173.25(18)
C14 C15 C21 N2 . -174.98(17)
C16 C15 C21 N2 . 6.9(3)
C21 N2 C22 C27 . -63.7(2)
C20 N2 C22 C27 . 119.25(19)
C21 N2 C22 C23 . 116.12(19)
C20 N2 C22 C23 . -60.9(2)
C27 C22 C23 C24 . 2.2(3)
N2 C22 C23 C24 . -177.67(17)
C22 C23 C24 C25 . -0.2(3)
C23 C24 C25 C26 . -1.7(3)
C24 C25 C26 C27 . 1.6(3)
C24 C25 C26 C28 . -176.68(19)
C23 C22 C27 C26 . -2.2(3)
N2 C22 C27 C26 . 177.60(16)
C25 C26 C27 C22 . 0.3(3)
C28 C26 C27 C22 . 178.60(18)
Mg1 O7 C28 O8 1_456 21.2(4)
Mg1 O7 C28 C26 1_456 -160.65(15)
C25 C26 C28 O7 . -6.0(3)
C27 C26 C28 O7 . 175.76(19)
C25 C26 C28 O8 . 172.3(2)
C27 C26 C28 O8 . -5.9(3)
Mg1 O9 C29 N3 . 168.06(18)
C31 N3 C29 O9 . -174.5(2)
C30 N3 C29 O9 . 0.3(4)

_cod_database_fobs_code 2020775
