#------------------------------------------------------------------------------
#$Date: 2021-03-05 04:27:45 +0200 (Fri, 05 Mar 2021) $
#$Revision: 262728 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/00/1560092.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_1560092
loop_
_publ_author_name
'Payne, Jack'
'McKeown, Paul'
'Driscoll, Oliver'
'Kociok-Köhn, Gabriele'
'Emanuelsson, Emma A. C.'
'Jones, Matthew D.'
_publ_section_title
;
 Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production
 and recycling of commodity polyesters
;
_journal_issue                   8
_journal_name_full               'Polymer Chemistry'
_journal_page_first              1086
_journal_page_last               1096
_journal_paper_doi               10.1039/D0PY01519A
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'C27 H36 Cl2 Mg2 N2 O2'
_chemical_formula_weight         540.10
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-10-29 deposited with the CCDC.	2020-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                112.876(9)
_cell_angle_beta                 100.644(8)
_cell_angle_gamma                93.112(8)
_cell_formula_units_Z            2
_cell_length_a                   10.8720(12)
_cell_length_b                   11.0298(10)
_cell_length_c                   13.0224(12)
_cell_measurement_reflns_used    1130
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      64.1370
_cell_measurement_theta_min      3.7730
_cell_volume                     1400.2(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics
'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565'
_computing_publication_material
;
 'WinGX publication routines, Farrugia, 
 L. J., J. Appl. Crystallogr., 1999, 32, 837-838
;
_computing_structure_refinement
;
 SHELXL-2014/8 (Sheldrick, 2014)
 Sheldrick GM (2008) Acta Crystallogr A64:112-122 and 
 C. B. Hübschle, G. M. Sheldrick and B. Dittrich
 ShelXle: a Qt graphical user interface for SHELXL
 J. Appl. Cryst., 44, (2011) 1281-1284.
;
_computing_structure_solution
; 
 SHELXT
 Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1150
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0528
_diffrn_reflns_av_unetI/netI     0.0971
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8571
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.978
_diffrn_reflns_theta_min         3.780
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.729
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_description       block
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.455
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         5278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1275
_refine_ls_R_factor_gt           0.0768
_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)+(0.0741P)²+0.8605P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1801
_refine_ls_wR_factor_ref         0.2117
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3144
_reflns_number_total             5278
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0py01519a2.cif
_cod_data_source_block           Mg_tetramer
_cod_depositor_comments
'Adding full bibliography for 1560087--1560093.cif.'
_cod_database_code               1560092
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.876
_shelx_estimated_absorpt_t_max   0.876
_oxdiff_exptl_absorpt_empirical_full_min 0.772
_oxdiff_exptl_absorpt_empirical_full_max 1.613
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Cl1 Cl 0.5593(2) 0.54765(18) 0.20685(15) 0.1090(8) Uani 1 1 d . . . . .
Mg1 Mg 0.43426(14) 0.10114(16) 0.47584(13) 0.0403(4) Uani 1 1 d . . . . .
O1 O 0.5364(3) 0.0847(3) 0.6155(2) 0.0374(7) Uani 1 1 d . . . . .
N1 N 0.2840(3) 0.0447(4) 0.5333(3) 0.0378(8) Uani 1 1 d . . . . .
C1 C 0.4618(4) 0.1091(4) 0.6959(4) 0.0360(9) Uani 1 1 d . . . . .
Cl2 Cl 0.79249(18) 0.21293(18) 0.35731(19) 0.0930(6) Uani 1 1 d . . . . .
Mg2 Mg 0.7260(2) 0.1583(2) 0.5399(2) 0.0745(6) Uani 1 1 d . . . . .
O2 O 0.5755(3) 0.2060(3) 0.4583(3) 0.0476(8) Uani 1 1 d . . . . .
N2 N 0.3243(4) 0.2488(4) 0.4674(3) 0.0469(9) Uani 1 1 d . . . . .
C2 C 0.3299(4) 0.0974(4) 0.6551(3) 0.0356(9) Uani 1 1 d . . . . .
C3 C 0.2512(4) 0.1292(5) 0.7314(4) 0.0406(10) Uani 1 1 d . . . . .
H3 H 0.1629 0.1229 0.7035 0.049 Uiso 1 1 calc R U . . .
C4 C 0.2993(4) 0.1703(5) 0.8483(4) 0.0409(10) Uani 1 1 d . . . . .
C5 C 0.4272(4) 0.1770(5) 0.8856(4) 0.0467(11) Uani 1 1 d . . . . .
H5 H 0.4603 0.2037 0.9652 0.056 Uiso 1 1 calc R U . . .
C6 C 0.5114(4) 0.1467(5) 0.8126(4) 0.0421(10) Uani 1 1 d . . . . .
C7 C 0.2105(5) 0.2074(7) 0.9312(4) 0.0601(15) Uani 1 1 d . . . . .
C8 C 0.1608(8) 0.3350(8) 0.9326(8) 0.118(3) Uani 1 1 d . . . . .
H8A H 0.1235 0.3230 0.8542 0.176 Uiso 1 1 calc R U . . .
H8B H 0.2306 0.4085 0.9663 0.176 Uiso 1 1 calc R U . . .
H8C H 0.0963 0.3554 0.9781 0.176 Uiso 1 1 calc R U . . .
C9 C 0.0984(6) 0.1028(8) 0.8924(6) 0.087(2) Uani 1 1 d . . . . .
H9A H 0.1271 0.0173 0.8835 0.130 Uiso 1 1 calc R U . . .
H9B H 0.0484 0.0955 0.8190 0.130 Uiso 1 1 calc R U . . .
H9C H 0.0463 0.1271 0.9494 0.130 Uiso 1 1 calc R U . . .
C10 C 0.2783(7) 0.2309(15) 1.0503(6) 0.192(7) Uani 1 1 d . . . . .
H10A H 0.2231 0.2672 1.1033 0.288 Uiso 1 1 calc R U . . .
H10B H 0.3554 0.2942 1.0733 0.288 Uiso 1 1 calc R U . . .
H10C H 0.3006 0.1467 1.0520 0.288 Uiso 1 1 calc R U . . .
C11 C 0.6520(5) 0.1594(8) 0.8630(4) 0.073(2) Uani 1 1 d . . . . .
C12 C 0.7191(6) 0.2843(8) 0.8651(8) 0.125(4) Uani 1 1 d . . . . .
H12A H 0.7017 0.2822 0.7878 0.187 Uiso 1 1 calc R U . . .
H12B H 0.8103 0.2895 0.8922 0.187 Uiso 1 1 calc R U . . .
H12C H 0.6887 0.3621 0.9166 0.187 Uiso 1 1 calc R U . . .
C13 C 0.7120(5) 0.0393(7) 0.7954(5) 0.074(2) Uani 1 1 d . . . . .
H13A H 0.7183 0.0414 0.7220 0.111 Uiso 1 1 calc R U . . .
H13B H 0.6594 -0.0428 0.7818 0.111 Uiso 1 1 calc R U . . .
H13C H 0.7966 0.0426 0.8394 0.111 Uiso 1 1 calc R U . . .
C14 C 0.6744(7) 0.1688(13) 0.9861(5) 0.167(6) Uani 1 1 d . . . . .
H14A H 0.7611 0.1537 1.0097 0.250 Uiso 1 1 calc R U . . .
H14B H 0.6148 0.1014 0.9896 0.250 Uiso 1 1 calc R U . . .
H14C H 0.6617 0.2573 1.0374 0.250 Uiso 1 1 calc R U . . .
C15 C 0.1735(4) 0.1009(6) 0.4940(4) 0.0483(12) Uani 1 1 d . . . . .
H15A H 0.1078 0.0978 0.5368 0.058 Uiso 1 1 calc R U . . .
H15B H 0.1373 0.0466 0.4118 0.058 Uiso 1 1 calc R U . . .
C16 C 0.2110(5) 0.2438(6) 0.5121(4) 0.0548(13) Uani 1 1 d . . . . .
H16A H 0.1415 0.2741 0.4715 0.066 Uiso 1 1 calc R U . . .
H16B H 0.2286 0.3026 0.5946 0.066 Uiso 1 1 calc R U . . .
C17 C 0.3495(5) 0.3365(5) 0.4303(4) 0.0531(13) Uani 1 1 d . . . . .
H17 H 0.2917 0.3984 0.4316 0.064 Uiso 1 1 calc R U . . .
C18 C 0.4616(5) 0.3477(5) 0.3860(4) 0.0505(12) Uani 1 1 d . . . . .
C19 C 0.4607(6) 0.4309(5) 0.3269(4) 0.0619(15) Uani 1 1 d . . . . .
H19 H 0.3906 0.4771 0.3197 0.074 Uiso 1 1 calc R U . . .
C20 C 0.5612(7) 0.4460(6) 0.2794(5) 0.0725(19) Uani 1 1 d . . . . .
C21 C 0.6614(7) 0.3788(6) 0.2881(5) 0.0726(18) Uani 1 1 d . . . . .
H21 H 0.7294 0.3874 0.2538 0.087 Uiso 1 1 calc R U . . .
C22 C 0.6636(6) 0.2980(5) 0.3473(5) 0.0601(14) Uani 1 1 d . . . . .
C23 C 0.5670(5) 0.2812(5) 0.3990(4) 0.0504(12) Uani 1 1 d . . . . .
C24 C 0.8889(6) 0.2865(7) 0.6525(7) 0.091(2) Uani 1 1 d . . . . .
H24A H 0.9034 0.2733 0.7245 0.109 Uiso 1 1 calc R U . . .
H24B H 0.9625 0.2614 0.6179 0.109 Uiso 1 1 calc R U . . .
C25 C 0.8823(6) 0.4351(8) 0.6814(8) 0.112(3) Uani 1 1 d . . . . .
H25A H 0.8565 0.4454 0.6085 0.134 Uiso 1 1 calc R U . . .
H25B H 0.8145 0.4615 0.7236 0.134 Uiso 1 1 calc R U . . .
C26 C 0.9952(8) 0.5269(9) 0.7472(9) 0.125(4) Uani 1 1 d . . . . .
H26A H 1.0648 0.4985 0.7077 0.150 Uiso 1 1 calc R U . . .
H26B H 1.0183 0.5220 0.8225 0.150 Uiso 1 1 calc R U . . .
C27 C 0.9849(7) 0.6681(8) 0.7662(7) 0.106(3) Uani 1 1 d . . . . .
H27A H 0.9810 0.6781 0.6942 0.159 Uiso 1 1 calc R U . . .
H27B H 1.0589 0.7257 0.8233 0.159 Uiso 1 1 calc R U . . .
H27C H 0.9081 0.6931 0.7937 0.159 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.1719 0.1771 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
O2 Mg1 O1 100.98(14) . 2_656 ?
O2 Mg1 O1 94.00(14) . . ?
O1 Mg1 O1 87.28(13) 2_656 . ?
O2 Mg1 N1 162.90(16) . . ?
O1 Mg1 N1 95.51(15) 2_656 . ?
O1 Mg1 N1 82.22(13) . . ?
O2 Mg1 N2 87.39(16) . . ?
O1 Mg1 N2 142.52(16) 2_656 . ?
O1 Mg1 N2 128.91(15) . . ?
N1 Mg1 N2 82.20(16) . . ?
O2 Mg1 C2 136.80(15) . . ?
O1 Mg1 C2 107.92(13) 2_656 . ?
O1 Mg1 C2 56.98(12) . . ?
N1 Mg1 C2 30.01(13) . . ?
N2 Mg1 C2 88.61(14) . . ?
O2 Mg1 C1 113.57(15) . . ?
O1 Mg1 C1 102.77(13) 2_656 . ?
O1 Mg1 C1 28.38(11) . . ?
N1 Mg1 C1 57.58(13) . . ?
N2 Mg1 C1 107.12(14) . . ?
C2 Mg1 C1 29.34(11) . . ?
O2 Mg1 Mg1 100.34(12) . 2_656 ?
O1 Mg1 Mg1 43.88(9) 2_656 2_656 ?
O1 Mg1 Mg1 43.40(9) . 2_656 ?
N1 Mg1 Mg1 88.40(12) . 2_656 ?
N2 Mg1 Mg1 169.02(14) . 2_656 ?
C2 Mg1 Mg1 80.41(10) . 2_656 ?
C1 Mg1 Mg1 62.71(10) . 2_656 ?
O2 Mg1 Mg2 39.04(11) . . ?
O1 Mg1 Mg2 83.76(10) 2_656 . ?
O1 Mg1 Mg2 58.25(10) . . ?
N1 Mg1 Mg2 140.47(12) . . ?
N2 Mg1 Mg2 121.13(14) . . ?
C2 Mg1 Mg2 113.08(11) . . ?
C1 Mg1 Mg2 83.92(10) . . ?
Mg1 Mg1 Mg2 63.90(7) 2_656 . ?
O2 Mg1 Mg2 156.71(12) . 2_656 ?
O1 Mg1 Mg2 56.26(10) 2_656 2_656 ?
O1 Mg1 Mg2 81.05(11) . 2_656 ?
N1 Mg1 Mg2 39.26(11) . 2_656 ?
N2 Mg1 Mg2 113.48(14) . 2_656 ?
C2 Mg1 Mg2 57.77(11) . 2_656 ?
C1 Mg1 Mg2 71.48(10) . 2_656 ?
Mg1 Mg1 Mg2 60.66(7) 2_656 2_656 ?
Mg2 Mg1 Mg2 124.56(6) . 2_656 ?
C1 O1 Mg1 120.7(3) . 2_656 ?
C1 O1 Mg1 108.0(2) . . ?
Mg1 O1 Mg1 92.72(13) 2_656 . ?
C1 O1 Mg2 151.3(3) . . ?
Mg1 O1 Mg2 84.82(11) 2_656 . ?
Mg1 O1 Mg2 81.35(11) . . ?
C2 N1 C15 115.0(3) . . ?
C2 N1 Mg2 111.7(3) . 2_656 ?
C15 N1 Mg2 116.4(3) . 2_656 ?
C2 N1 Mg1 103.6(3) . . ?
C15 N1 Mg1 107.3(3) . . ?
Mg2 N1 Mg1 100.87(17) 2_656 . ?
O1 C1 C6 123.3(4) . . ?
O1 C1 C2 116.9(4) . . ?
C6 C1 C2 119.8(4) . . ?
O1 C1 Mg1 43.63(17) . . ?
C6 C1 Mg1 159.6(3) . . ?
C2 C1 Mg1 75.3(2) . . ?
C22 Cl2 Mg2 91.99(18) . . ?
O2 Mg2 N1 107.39(16) . 2_656 ?
O2 Mg2 C24 127.6(3) . . ?
N1 Mg2 C24 123.6(2) 2_656 . ?
O2 Mg2 O1 76.44(13) . . ?
N1 Mg2 O1 78.78(14) 2_656 . ?
C24 Mg2 O1 121.9(3) . . ?
O2 Mg2 Cl2 71.08(12) . . ?
N1 Mg2 Cl2 98.16(14) 2_656 . ?
C24 Mg2 Cl2 89.2(3) . . ?
O1 Mg2 Cl2 144.83(11) . . ?
O2 Mg2 Mg1 38.57(10) . . ?
N1 Mg2 Mg1 84.32(12) 2_656 . ?
C24 Mg2 Mg1 147.2(2) . . ?
O1 Mg2 Mg1 40.40(7) . . ?
Cl2 Mg2 Mg1 104.55(8) . . ?
O2 Mg2 Mg1 91.69(12) . 2_656 ?
N1 Mg2 Mg1 39.87(11) 2_656 2_656 ?
C24 Mg2 Mg1 135.0(3) . 2_656 ?
O1 Mg2 Mg1 38.92(7) . 2_656 ?
Cl2 Mg2 Mg1 128.28(9) . 2_656 ?
Mg1 Mg2 Mg1 55.44(6) . 2_656 ?
C23 O2 Mg1 126.7(3) . . ?
C23 O2 Mg2 130.8(3) . . ?
Mg1 O2 Mg2 102.39(16) . . ?
C17 N2 C16 121.5(4) . . ?
C17 N2 Mg1 126.4(3) . . ?
C16 N2 Mg1 112.1(3) . . ?
C3 C2 C1 119.9(4) . . ?
C3 C2 N1 123.2(4) . . ?
C1 C2 N1 116.8(3) . . ?
C3 C2 Mg1 157.5(3) . . ?
C1 C2 Mg1 75.4(2) . . ?
N1 C2 Mg1 46.36(19) . . ?
C2 C3 C4 121.1(4) . . ?
C5 C4 C3 118.0(4) . . ?
C5 C4 C7 121.9(4) . . ?
C3 C4 C7 120.1(4) . . ?
C4 C5 C6 123.4(4) . . ?
C5 C6 C1 117.8(4) . . ?
C5 C6 C11 119.3(4) . . ?
C1 C6 C11 122.9(4) . . ?
C9 C7 C10 109.6(7) . . ?
C9 C7 C4 111.6(5) . . ?
C10 C7 C4 111.4(5) . . ?
C9 C7 C8 107.2(6) . . ?
C10 C7 C8 109.1(8) . . ?
C4 C7 C8 107.9(5) . . ?
C12 C11 C6 109.2(6) . . ?
C12 C11 C13 109.4(5) . . ?
C6 C11 C13 112.5(5) . . ?
C12 C11 C14 108.4(7) . . ?
C6 C11 C14 110.8(5) . . ?
C13 C11 C14 106.4(6) . . ?
N1 C15 C16 110.9(4) . . ?
N2 C16 C15 108.0(4) . . ?
N2 C17 C18 124.1(4) . . ?
C19 C18 C23 119.7(5) . . ?
C19 C18 C17 116.0(5) . . ?
C23 C18 C17 124.3(4) . . ?
C20 C19 C18 120.5(6) . . ?
C21 C20 C19 120.2(5) . . ?
C21 C20 Cl1 119.5(5) . . ?
C19 C20 Cl1 120.3(6) . . ?
C20 C21 C22 119.6(6) . . ?
C21 C22 C23 122.8(6) . . ?
C21 C22 Cl2 118.9(5) . . ?
C23 C22 Cl2 118.2(4) . . ?
O2 C23 C22 120.6(5) . . ?
O2 C23 C18 122.4(4) . . ?
C22 C23 C18 117.0(5) . . ?
C25 C24 Mg2 114.5(5) . . ?
C26 C25 C24 117.4(7) . . ?
C25 C26 C27 114.8(8) . . ?
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
Cl1 C20 1.724(5) . ?
Mg1 O2 1.973(3) . ?
Mg1 O1 2.008(3) 2_656 ?
Mg1 O1 2.026(3) . ?
Mg1 N1 2.078(4) . ?
Mg1 N2 2.097(4) . ?
Mg1 C2 2.791(4) . ?
Mg1 C1 2.792(4) . ?
Mg1 Mg1 2.919(3) 2_656 ?
Mg1 Mg2 3.090(3) . ?
Mg1 Mg2 3.183(3) 2_656 ?
O1 C1 1.395(5) . ?
O1 Mg1 2.008(3) 2_656 ?
O1 Mg2 2.658(4) . ?
N1 C2 1.436(5) . ?
N1 C15 1.480(5) . ?
N1 Mg2 2.051(4) 2_656 ?
C1 C6 1.397(6) . ?
C1 C2 1.414(5) . ?
Cl2 C22 1.741(6) . ?
Cl2 Mg2 2.871(3) . ?
Mg2 O2 1.993(4) . ?
Mg2 N1 2.051(4) 2_656 ?
Mg2 C24 2.108(7) . ?
Mg2 Mg1 3.183(3) 2_656 ?
O2 C23 1.331(6) . ?
N2 C17 1.276(7) . ?
N2 C16 1.463(6) . ?
C2 C3 1.385(6) . ?
C3 C4 1.393(6) . ?
C4 C5 1.373(6) . ?
C4 C7 1.533(6) . ?
C5 C6 1.401(6) . ?
C6 C11 1.524(6) . ?
C7 C9 1.496(8) . ?
C7 C10 1.503(8) . ?
C7 C8 1.530(10) . ?
C11 C12 1.511(11) . ?
C11 C13 1.534(8) . ?
C11 C14 1.538(9) . ?
C15 C16 1.520(8) . ?
C17 C18 1.460(7) . ?
C18 C19 1.408(7) . ?
C18 C23 1.413(7) . ?
C19 C20 1.383(9) . ?
C20 C21 1.362(9) . ?
C21 C22 1.385(8) . ?
C22 C23 1.388(7) . ?
C24 C25 1.541(10) . ?
C25 C26 1.439(10) . ?
C26 C27 1.492(11) . ?
