# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 2107559'
loop_
_audit_author_name
_audit_author_address
'Rajat Saha'
;KAZI NAZRUL UNIVERSITY
India
;
_audit_update_record             
;
2021-09-04 deposited with the CCDC.	2021-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H30 Co Mg N2 O20'
_chemical_formula_sum            'C14 H30 Co Mg N2 O20'
_chemical_formula_weight         629.64

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'
Co Co 0.3494 0.9721 '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'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   7.3334(9)
_cell_length_b                   11.7205(15)
_cell_length_c                   16.2038(16)
_cell_angle_alpha                109.468(7)
_cell_angle_beta                 96.697(5)
_cell_angle_gamma                99.022(2)
_cell_volume                     1275.4(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    17742
_cell_measurement_theta_min      1.355
_cell_measurement_theta_max      28.551

_exptl_crystal_description       Needle
_exptl_crystal_colour            Pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_F_000             654
_exptl_transmission_factor_min   0.859
_exptl_transmission_factor_max   0.909
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    0.791
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17742
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.355
_diffrn_reflns_theta_max         28.551
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             6417
_reflns_number_gt                5723
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_structure_solution    'SHELXT (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0534P)²+6.7138P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6417
_refine_ls_number_parameters     346
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0729
_refine_ls_wR_factor_ref         0.2023
_refine_ls_wR_factor_gt          0.2001
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_restrained_S_all      1.168
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.27559(8) 0.48540(5) 0.24329(4) 0.02198(16) Uani 1 1 d . . . . .
O3 O 0.2355(7) 0.7540(3) 0.5971(3) 0.0491(11) Uani 1 1 d . . . . .
O1 O 0.2453(5) 0.2952(3) 0.2160(2) 0.0306(7) Uani 1 1 d . . . . .
O2 O 0.2514(6) 0.1520(3) 0.2783(2) 0.0390(8) Uani 1 1 d . . . . .
O4 O 0.2518(6) 0.6374(3) 0.6802(2) 0.0352(8) Uani 1 1 d . . . . .
O1W O -0.0116(5) 0.4641(4) 0.2318(3) 0.0408(9) Uani 1 1 d . . . . .
H371 H -0.0840 0.3932 0.2148 0.061 Uiso 1 1 d R U . . .
H372 H -0.0764 0.5181 0.2516 0.061 Uiso 1 1 d R U . . .
O2W O 0.5574(5) 0.4986(4) 0.2520(3) 0.0503(11) Uani 1 1 d . . . . .
H381 H 0.6169 0.4684 0.2850 0.075 Uiso 1 1 d R U . . .
H382 H 0.6322 0.5606 0.2501 0.075 Uiso 1 1 d R U . . .
O5 O 0.3198(5) 0.6762(3) 0.2789(2) 0.0322(7) Uani 1 1 d . . . . .
O6 O 0.3642(7) 0.8294(3) 0.2262(2) 0.0441(10) Uani 1 1 d . . . . .
O7 O 0.1822(5) 0.3645(3) -0.2009(2) 0.0319(7) Uani 1 1 d . . . . .
O8 O 0.1133(8) 0.2321(3) -0.1332(3) 0.0529(12) Uani 1 1 d . . . . .
N1 N 0.2786(5) 0.4737(3) 0.3711(2) 0.0245(7) Uani 1 1 d . . . . .
N2 N 0.2582(5) 0.5044(3) 0.1168(2) 0.0242(7) Uani 1 1 d . . . . .
C1 C 0.2540(6) 0.2601(4) 0.2821(3) 0.0267(8) Uani 1 1 d . . . . .
C2 C 0.2635(6) 0.3588(4) 0.3722(3) 0.0247(8) Uani 1 1 d . . . . .
C3 C 0.2459(7) 0.3318(4) 0.4479(3) 0.0321(10) Uani 1 1 d . . . . .
H03 H 0.2367 0.2512 0.4467 0.039 Uiso 1 1 calc R U . . .
C4 C 0.2423(7) 0.4273(4) 0.5258(3) 0.0322(10) Uani 1 1 d . . . . .
H04 H 0.2306 0.4114 0.5776 0.039 Uiso 1 1 calc R U . . .
C5 C 0.2562(6) 0.5471(4) 0.5260(3) 0.0245(8) Uani 1 1 d . . . . .
C6 C 0.2756(7) 0.5658(4) 0.4465(3) 0.0267(9) Uani 1 1 d . . . . .
H06 H 0.2871 0.6456 0.4460 0.032 Uiso 1 1 calc R U . . .
C8 C 0.2475(7) 0.6552(4) 0.6074(3) 0.0265(8) Uani 1 1 d . . . . .
C9 C 0.3280(7) 0.7178(4) 0.2162(3) 0.0281(9) Uani 1 1 d . . . . .
C10 C 0.2923(6) 0.6242(4) 0.1231(3) 0.0243(8) Uani 1 1 d . . . . .
C11 C 0.2928(8) 0.6573(4) 0.0489(3) 0.0351(11) Uani 1 1 d . . . . .
H011 H 0.3151 0.7402 0.0548 0.042 Uiso 1 1 calc R U . . .
C12 C 0.2597(8) 0.5651(4) -0.0343(3) 0.0314(10) Uani 1 1 d . . . . .
H012 H 0.2646 0.5858 -0.0848 0.038 Uiso 1 1 calc R U . . .
C13 C 0.2194(6) 0.4422(4) -0.0424(3) 0.0234(8) Uani 1 1 d . . . . .
C14 C 0.2210(6) 0.4164(4) 0.0354(3) 0.0251(8) Uani 1 1 d . . . . .
H014 H 0.1950 0.3341 0.0308 0.030 Uiso 1 1 calc R U . . .
C16 C 0.1684(6) 0.3372(4) -0.1316(3) 0.0251(8) Uani 1 1 d . . . . .
Mg2 Mg 0.0000 1.0000 0.0000 0.0181(4) Uani 1 2 d S . P . .
O8W O 0.1037(6) 0.9647(3) 0.1111(2) 0.0434(9) Uani 1 1 d . . . . .
H751 H 0.0792 0.8953 0.1188 0.065 Uiso 1 1 d R U . . .
H752 H 0.1383 1.0206 0.1629 0.065 Uiso 1 1 d R U . . .
O6W O 0.0608(5) 0.8354(3) -0.0781(2) 0.0395(8) Uani 1 1 d . . . . .
H731 H -0.0222 0.7834 -0.1198 0.059 Uiso 1 1 d R U . . .
H732 H 0.1643 0.8094 -0.0822 0.059 Uiso 1 1 d R U . . .
O7W O 0.2646(6) 1.1020(4) 0.0078(3) 0.0449(9) Uani 1 1 d . . . . .
H741 H 0.3414 1.1173 -0.0221 0.054 Uiso 1 1 d R U . . .
H742 H 0.2726 1.1652 0.0509 0.054 Uiso 1 1 d R U . . .
Mg1 Mg 0.5000 0.0000 0.5000 0.0197(4) Uani 1 2 d S . P . .
O3W O 0.4247(5) 0.1666(3) 0.5697(2) 0.0349(7) Uani 1 1 d . . . . .
H611 H 0.4976 0.2311 0.6078 0.052 Uiso 1 1 d R U . . .
H612 H 0.3127 0.1766 0.5716 0.052 Uiso 1 1 d DR U . . .
O4W O 0.5866(6) -0.0190(3) 0.6191(2) 0.0400(9) Uani 1 1 d . . . . .
H621 H 0.5594 0.0365 0.6623 0.060 Uiso 1 1 d R U . . .
H622 H 0.6420 -0.0643 0.6404 0.060 Uiso 1 1 d R U . . .
O5W O 0.7633(5) 0.1071(4) 0.5142(2) 0.0401(8) Uani 1 1 d . . . . .
H631 H 0.7876 0.1280 0.4701 0.060 Uiso 1 1 d R U . . .
H632 H 0.8680 0.1244 0.5498 0.060 Uiso 1 1 d R U . . .
O9W O 0.0804(5) 0.1501(3) 0.6406(2) 0.0437(9) Uani 1 1 d . . . . .
H531 H 0.1680 0.2156 0.6569 0.066 Uiso 1 1 d DR U . . .
H532 H 0.1177 0.0935 0.6021 0.066 Uiso 1 1 d DR U . . .
O10W O 0.8972(7) 0.0453(4) 0.3059(3) 0.0559(11) Uani 1 1 d . . . . .
H541 H 0.8649 0.1105 0.3389 0.084 Uiso 1 1 d R U . . .
H542 H 0.9993 0.0725 0.2899 0.084 Uiso 1 1 d R U . . .
O11W O 0.6124(7) 0.9518(4) 0.1539(3) 0.0557(11) Uani 1 1 d . . . . .
H551 H 0.6528 0.8843 0.1456 0.084 Uiso 1 1 d R U . . .
H552 H 0.5173 0.9451 0.1795 0.084 Uiso 1 1 d R U . . .
O12W O 0.5962(6) 0.1712(4) 0.1364(3) 0.0542(11) Uani 1 1 d . . . . .
H561 H 0.6066 0.1171 0.1572 0.065 Uiso 1 1 d R U . . .
H562 H 0.5895 0.2336 0.1772 0.065 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Co1 O2W 2.032(4) . ?
Co1 O1W 2.061(4) . ?
Co1 O5 2.076(3) . ?
Co1 O1 2.093(3) . ?
Co1 N1 2.118(4) . ?
Co1 N2 2.126(4) . ?
O3 C8 1.240(6) . ?
O1 C1 1.268(5) . ?
O2 C1 1.245(5) . ?
O4 C8 1.262(5) . ?
O1W H371 0.8502 . ?
O1W H372 0.8500 . ?
O2W H381 0.8503 . ?
O2W H382 0.8503 . ?
O5 C9 1.267(5) . ?
O6 C9 1.244(6) . ?
O7 C16 1.276(5) . ?
O8 C16 1.225(5) . ?
N1 C6 1.339(6) . ?
N1 C2 1.340(5) . ?
N2 C14 1.341(5) . ?
N2 C10 1.354(5) . ?
C1 C2 1.516(6) . ?
C2 C3 1.379(6) . ?
C3 C4 1.387(7) . ?
C3 H03 0.9300 . ?
C4 C5 1.391(6) . ?
C4 H04 0.9300 . ?
C5 C6 1.394(6) . ?
C5 C8 1.510(6) . ?
C6 H06 0.9300 . ?
C9 C10 1.505(6) . ?
C10 C11 1.381(6) . ?
C11 C12 1.385(6) . ?
C11 H011 0.9300 . ?
C12 C13 1.382(6) . ?
C12 H012 0.9300 . ?
C13 C14 1.391(6) . ?
C13 C16 1.512(6) . ?
C14 H014 0.9300 . ?
Mg2 O8W 2.066(4) 2_575 ?
Mg2 O8W 2.066(4) . ?
Mg2 O6W 2.073(4) 2_575 ?
Mg2 O6W 2.073(4) . ?
Mg2 O7W 2.079(4) 2_575 ?
Mg2 O7W 2.079(4) . ?
Mg2 H742 2.4005 . ?
O8W H751 0.8578 . ?
O8W H752 0.8541 . ?
O6W H731 0.8435 . ?
O6W H732 0.8624 . ?
O7W H741 0.8200 . ?
O7W H742 0.8200 . ?
Mg1 O4W 2.055(3) . ?
Mg1 O4W 2.055(3) 2_656 ?
Mg1 O5W 2.074(4) . ?
Mg1 O5W 2.074(4) 2_656 ?
Mg1 O3W 2.100(3) . ?
Mg1 O3W 2.100(3) 2_656 ?
O3W H611 0.8506 . ?
O3W H612 0.8499 . ?
O4W H621 0.8505 . ?
O4W H622 0.8499 . ?
O5W H631 0.8581 . ?
O5W H632 0.8558 . ?
O9W H531 0.8615 . ?
O9W H532 0.8514 . ?
O10W H541 0.8602 . ?
O10W H542 0.8690 . ?
O11W H551 0.8619 . ?
O11W H552 0.8587 . ?
O12W H561 0.8199 . ?
O12W H562 0.8200 . ?

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
O2W Co1 O1W 177.61(18) . . ?
O2W Co1 O5 88.81(17) . . ?
O1W Co1 O5 93.51(16) . . ?
O2W Co1 O1 88.67(16) . . ?
O1W Co1 O1 89.03(15) . . ?
O5 Co1 O1 175.72(13) . . ?
O2W Co1 N1 93.18(15) . . ?
O1W Co1 N1 86.97(14) . . ?
O5 Co1 N1 99.19(13) . . ?
O1 Co1 N1 77.49(13) . . ?
O2W Co1 N2 89.96(15) . . ?
O1W Co1 N2 89.99(14) . . ?
O5 Co1 N2 78.51(13) . . ?
O1 Co1 N2 104.94(13) . . ?
N1 Co1 N2 176.08(15) . . ?
C1 O1 Co1 116.9(3) . . ?
Co1 O1W H371 121.9 . . ?
Co1 O1W H372 129.2 . . ?
H371 O1W H372 107.7 . . ?
Co1 O2W H381 120.6 . . ?
Co1 O2W H382 123.8 . . ?
H381 O2W H382 107.6 . . ?
C9 O5 Co1 116.5(3) . . ?
C6 N1 C2 118.5(4) . . ?
C6 N1 Co1 126.6(3) . . ?
C2 N1 Co1 114.5(3) . . ?
C14 N2 C10 118.2(4) . . ?
C14 N2 Co1 129.3(3) . . ?
C10 N2 Co1 112.5(3) . . ?
O2 C1 O1 125.2(4) . . ?
O2 C1 C2 118.4(4) . . ?
O1 C1 C2 116.4(4) . . ?
N1 C2 C3 122.7(4) . . ?
N1 C2 C1 114.3(4) . . ?
C3 C2 C1 122.8(4) . . ?
C2 C3 C4 118.6(4) . . ?
C2 C3 H03 120.7 . . ?
C4 C3 H03 120.7 . . ?
C3 C4 C5 119.7(4) . . ?
C3 C4 H04 120.2 . . ?
C5 C4 H04 120.2 . . ?
C4 C5 C6 117.6(4) . . ?
C4 C5 C8 122.7(4) . . ?
C6 C5 C8 119.7(4) . . ?
N1 C6 C5 122.9(4) . . ?
N1 C6 H06 118.5 . . ?
C5 C6 H06 118.5 . . ?
O3 C8 O4 125.3(4) . . ?
O3 C8 C5 117.1(4) . . ?
O4 C8 C5 117.5(4) . . ?
O6 C9 O5 125.0(4) . . ?
O6 C9 C10 118.0(4) . . ?
O5 C9 C10 117.0(4) . . ?
N2 C10 C11 122.0(4) . . ?
N2 C10 C9 115.3(4) . . ?
C11 C10 C9 122.7(4) . . ?
C10 C11 C12 119.0(4) . . ?
C10 C11 H011 120.5 . . ?
C12 C11 H011 120.5 . . ?
C13 C12 C11 119.9(4) . . ?
C13 C12 H012 120.0 . . ?
C11 C12 H012 120.0 . . ?
C12 C13 C14 117.6(4) . . ?
C12 C13 C16 122.7(4) . . ?
C14 C13 C16 119.7(4) . . ?
N2 C14 C13 123.3(4) . . ?
N2 C14 H014 118.4 . . ?
C13 C14 H014 118.4 . . ?
O8 C16 O7 124.1(4) . . ?
O8 C16 C13 118.4(4) . . ?
O7 C16 C13 117.4(4) . . ?
O8W Mg2 O8W 180.0 2_575 . ?
O8W Mg2 O6W 88.41(15) 2_575 2_575 ?
O8W Mg2 O6W 91.59(15) . 2_575 ?
O8W Mg2 O6W 91.59(15) 2_575 . ?
O8W Mg2 O6W 88.41(15) . . ?
O6W Mg2 O6W 180.0 2_575 . ?
O8W Mg2 O7W 89.04(16) 2_575 2_575 ?
O8W Mg2 O7W 90.96(16) . 2_575 ?
O6W Mg2 O7W 93.09(16) 2_575 2_575 ?
O6W Mg2 O7W 86.91(16) . 2_575 ?
O8W Mg2 O7W 90.96(16) 2_575 . ?
O8W Mg2 O7W 89.04(16) . . ?
O6W Mg2 O7W 86.91(16) 2_575 . ?
O6W Mg2 O7W 93.09(16) . . ?
O7W Mg2 O7W 180.0 2_575 . ?
O8W Mg2 H742 96.5 2_575 . ?
O8W Mg2 H742 83.5 . . ?
O6W Mg2 H742 68.5 2_575 . ?
O6W Mg2 H742 111.5 . . ?
O7W Mg2 H742 160.6 2_575 . ?
O7W Mg2 H742 19.4 . . ?
Mg2 O8W H751 126.0 . . ?
Mg2 O8W H752 123.2 . . ?
H751 O8W H752 106.6 . . ?
Mg2 O6W H731 119.9 . . ?
Mg2 O6W H732 132.4 . . ?
H731 O6W H732 107.2 . . ?
Mg2 O7W H741 143.6 . . ?
Mg2 O7W H742 103.0 . . ?
H741 O7W H742 107.7 . . ?
O4W Mg1 O4W 180.0 . 2_656 ?
O4W Mg1 O5W 88.76(15) . . ?
O4W Mg1 O5W 91.24(15) 2_656 . ?
O4W Mg1 O5W 91.24(15) . 2_656 ?
O4W Mg1 O5W 88.76(15) 2_656 2_656 ?
O5W Mg1 O5W 180.0 . 2_656 ?
O4W Mg1 O3W 89.35(14) . . ?
O4W Mg1 O3W 90.65(14) 2_656 . ?
O5W Mg1 O3W 86.03(14) . . ?
O5W Mg1 O3W 93.97(14) 2_656 . ?
O4W Mg1 O3W 90.65(14) . 2_656 ?
O4W Mg1 O3W 89.35(14) 2_656 2_656 ?
O5W Mg1 O3W 93.97(14) . 2_656 ?
O5W Mg1 O3W 86.03(14) 2_656 2_656 ?
O3W Mg1 O3W 180.00(15) . 2_656 ?
Mg1 O3W H611 126.5 . . ?
Mg1 O3W H612 125.0 . . ?
H611 O3W H612 107.7 . . ?
Mg1 O4W H621 111.3 . . ?
Mg1 O4W H622 141.1 . . ?
H621 O4W H622 107.7 . . ?
Mg1 O5W H631 117.2 . . ?
Mg1 O5W H632 134.7 . . ?
H631 O5W H632 106.4 . . ?
H531 O9W H532 106.5 . . ?
H541 O10W H542 105.1 . . ?
H551 O11W H552 105.8 . . ?
H561 O12W H562 107.7 . . ?

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
Co1 O1 C1 O2 -174.9(4) . . . . ?
Co1 O1 C1 C2 6.6(5) . . . . ?
C6 N1 C2 C3 -0.3(7) . . . . ?
Co1 N1 C2 C3 -174.0(4) . . . . ?
C6 N1 C2 C1 175.7(4) . . . . ?
Co1 N1 C2 C1 2.0(5) . . . . ?
O2 C1 C2 N1 175.7(4) . . . . ?
O1 C1 C2 N1 -5.7(6) . . . . ?
O2 C1 C2 C3 -8.3(7) . . . . ?
O1 C1 C2 C3 170.3(5) . . . . ?
N1 C2 C3 C4 0.5(7) . . . . ?
C1 C2 C3 C4 -175.2(4) . . . . ?
C2 C3 C4 C5 0.0(8) . . . . ?
C3 C4 C5 C6 -0.7(7) . . . . ?
C3 C4 C5 C8 178.1(5) . . . . ?
C2 N1 C6 C5 -0.5(7) . . . . ?
Co1 N1 C6 C5 172.4(3) . . . . ?
C4 C5 C6 N1 1.0(7) . . . . ?
C8 C5 C6 N1 -177.9(4) . . . . ?
C4 C5 C8 O3 -170.4(5) . . . . ?
C6 C5 C8 O3 8.5(7) . . . . ?
C4 C5 C8 O4 9.2(7) . . . . ?
C6 C5 C8 O4 -172.0(4) . . . . ?
Co1 O5 C9 O6 -175.7(4) . . . . ?
Co1 O5 C9 C10 3.8(6) . . . . ?
C14 N2 C10 C11 -1.1(7) . . . . ?
Co1 N2 C10 C11 178.3(4) . . . . ?
C14 N2 C10 C9 178.5(4) . . . . ?
Co1 N2 C10 C9 -2.1(5) . . . . ?
O6 C9 C10 N2 178.5(5) . . . . ?
O5 C9 C10 N2 -1.1(6) . . . . ?
O6 C9 C10 C11 -1.9(7) . . . . ?
O5 C9 C10 C11 178.5(5) . . . . ?
N2 C10 C11 C12 -0.8(8) . . . . ?
C9 C10 C11 C12 179.6(5) . . . . ?
C10 C11 C12 C13 2.6(8) . . . . ?
C11 C12 C13 C14 -2.4(7) . . . . ?
C11 C12 C13 C16 175.6(5) . . . . ?
C10 N2 C14 C13 1.3(7) . . . . ?
Co1 N2 C14 C13 -178.0(3) . . . . ?
C12 C13 C14 N2 0.4(7) . . . . ?
C16 C13 C14 N2 -177.6(4) . . . . ?
C12 C13 C16 O8 -171.5(5) . . . . ?
C14 C13 C16 O8 6.4(7) . . . . ?
C12 C13 C16 O7 7.1(7) . . . . ?
C14 C13 C16 O7 -175.0(4) . . . . ?

_refine_diff_density_max         1.786
_refine_diff_density_min         -1.673
_refine_diff_density_rms         0.122

