#------------------------------------------------------------------------------
#$Date: 2016-12-18 20:36:10 +0200 (Sun, 18 Dec 2016) $
#$Revision: 189199 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/00/7030039.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_7030039
loop_
_publ_author_name
'Whitehorne, Todd J. J.'
'Vabre, Boris'
'Schaper, Frank'
_publ_section_title
;
 Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with
 flexible ligand frameworks.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6339
_journal_page_last               6352
_journal_paper_doi               10.1039/c3dt53278j
_journal_volume                  43
_journal_year                    2014
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         'C58 H84 Mg2 N4 O2, C Cl2'
_chemical_formula_sum            'C29.5 H43 Cl Mg N2 O'
_chemical_formula_weight         501.42
_chemical_name_systematic        ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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-2013
_cell_angle_alpha                90
_cell_angle_beta                 102.436(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.0133(8)
_cell_length_b                   17.0252(9)
_cell_length_c                   22.8695(13)
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    100
_cell_measurement_theta_max      71.79
_cell_measurement_theta_min      3.26
_cell_volume                     5708.4(5)
_computing_cell_refinement       'SAINT V8.30C(Bruker AXS, )'
_computing_data_collection       'APEX2  (Bruker AXS, 0)'
_computing_data_reduction        'SAINT V8.30C(Bruker AXS, )'
_computing_molecular_graphics    'SHELXTL  (Bruker AXS, 2003)'
_computing_publication_material  'UdMX (Maris, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Microstar'
_diffrn_measurement_method       ω
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            80320
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         71.988
_diffrn_reflns_theta_min         3.230
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    1.567
_exptl_absorpt_correction_T_max  0.7535
_exptl_absorpt_correction_T_min  0.6444
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 2012)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_description       block
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     663
_refine_ls_number_reflns         11142
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0562
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0807P)²+4.2557P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1547
_refine_ls_wR_factor_ref         0.1593
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9945
_reflns_number_total             11142
_cod_data_source_file            c3dt53278j2.cif
_cod_data_source_block           TODD38
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'C29.50 H43 Cl Mg N2 O'
_cod_database_code               7030039
#BEGIN Tags that were not found in dictionaries:
_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   0.799
_shelx_estimated_absorpt_t_max   0.799
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_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
_atom_site_attached_hydrogens
Mg1 Mg 0.56453(4) 0.84256(4) 0.25589(3) 0.02754(15) Uani 1 1 d . . . . . 0
Mg2 Mg 0.44422(4) 0.97850(4) 0.26508(3) 0.02667(15) Uani 1 1 d . . . . . 0
N1 N 0.64779(11) 0.80777(10) 0.19919(7) 0.0308(3) Uani 1 1 d . . . . . 0
N2 N 0.62404(11) 0.76135(9) 0.31816(7) 0.0287(3) Uani 1 1 d . . . . . 0
N11 N 0.36437(11) 1.01751(10) 0.32233(7) 0.0306(3) Uani 1 1 d . . . . . 0
N12 N 0.38509(11) 1.05801(9) 0.20133(7) 0.0291(3) Uani 1 1 d . . . . . 0
O1 O 0.57343(9) 0.95731(8) 0.26846(6) 0.0299(3) Uani 1 1 d . . . . . 0
O2 O 0.43490(9) 0.86331(8) 0.25201(6) 0.0287(3) Uani 1 1 d . . . . . 0
C1 C 0.80969(15) 0.79806(14) 0.18924(11) 0.0403(5) Uani 1 1 d . . . . . 0
H1A H 0.8016 0.7584 0.1587 0.060 Uiso 1 1 calc R U . . . 0
H1B H 0.8679 0.7912 0.2160 0.060 Uiso 1 1 calc R U . . . 0
H1C H 0.8071 0.8491 0.1710 0.060 Uiso 1 1 calc R U . . . 0
C2 C 0.73427(14) 0.79096(12) 0.22406(10) 0.0324(4) Uani 1 1 d . . . . . 0
C3 C 0.76435(13) 0.76539(12) 0.28374(10) 0.0327(4) Uani 1 1 d . . . . . 0
H3 H 0.8272 0.7614 0.2972 0.039 Uiso 1 1 calc R U . . . 0
C4 C 0.71229(13) 0.74522(11) 0.32552(9) 0.0308(4) Uani 1 1 d . . . . . 0
C5 C 0.76262(15) 0.70026(13) 0.37987(10) 0.0380(5) Uani 1 1 d . . . . . 0
H5A H 0.7533 0.7256 0.4156 0.057 Uiso 1 1 calc R U . . . 0
H5B H 0.8266 0.6993 0.3800 0.057 Uiso 1 1 calc R U . . . 0
H5C H 0.7398 0.6475 0.3784 0.057 Uiso 1 1 calc R U . . . 0
C6 C 0.57479(14) 0.72989(11) 0.36133(9) 0.0317(4) Uani 1 1 d . . . . . 0
H6A H 0.5187 0.7597 0.3573 0.038 Uiso 1 1 calc R U . . . 0
H6B H 0.6111 0.7406 0.4010 0.038 Uiso 1 1 calc R U . . . 0
C7 C 0.54941(13) 0.64267(11) 0.35899(9) 0.0299(4) Uani 1 1 d . . . . . 0
C8 C 0.55503(13) 0.58981(11) 0.31238(9) 0.0302(4) Uani 1 1 d . . . . . 0
C9 C 0.52885(14) 0.51192(12) 0.31762(9) 0.0347(4) Uani 1 1 d . . . . . 0
H9 H 0.5338 0.4769 0.2872 0.042 Uiso 1 1 calc R U . . . 0
C10 C 0.49589(14) 0.48413(12) 0.36574(10) 0.0364(5) Uani 1 1 d . . . . . 0
C11 C 0.48842(14) 0.53733(13) 0.41029(10) 0.0364(4) Uani 1 1 d . . . . . 0
H11 H 0.4655 0.5204 0.4428 0.044 Uiso 1 1 calc R U . . . 0
C12 C 0.51430(14) 0.61542(12) 0.40756(9) 0.0338(4) Uani 1 1 d . . . . . 0
C13 C 0.50084(19) 0.67023(14) 0.45678(11) 0.0461(6) Uani 1 1 d . . . . . 0
H13A H 0.4706 0.6428 0.4836 0.069 Uiso 1 1 calc R U . . . 0
H13B H 0.4643 0.7142 0.4396 0.069 Uiso 1 1 calc R U . . . 0
H13C H 0.5591 0.6887 0.4784 0.069 Uiso 1 1 calc R U . . . 0
C14 C 0.58484(15) 0.61095(12) 0.25545(9) 0.0341(4) Uani 1 1 d . . . . . 0
H14A H 0.5809 0.5654 0.2303 0.051 Uiso 1 1 calc R U . . . 0
H14B H 0.6467 0.6295 0.2650 0.051 Uiso 1 1 calc R U . . . 0
H14C H 0.5459 0.6514 0.2348 0.051 Uiso 1 1 calc R U . . . 0
C15 C 0.46788(19) 0.39934(14) 0.36892(12) 0.0497(6) Uani 1 1 d . . . . . 0
H15A H 0.4287 0.3844 0.3316 0.074 Uiso 1 1 calc R U . . . 0
H15B H 0.4359 0.3930 0.4007 0.074 Uiso 1 1 calc R U . . . 0
H15C H 0.5212 0.3666 0.3764 0.074 Uiso 1 1 calc R U . . . 0
C16 C 0.62256(15) 0.82151(13) 0.13394(9) 0.0366(5) Uani 1 1 d . . . . . 0
H16A H 0.6724 0.8051 0.1159 0.044 Uiso 1 1 calc R U . . . 0
H16B H 0.6126 0.8772 0.1264 0.044 Uiso 1 1 calc R U . . . 0
C17 C 0.53688(15) 0.77667(12) 0.10528(9) 0.0338(4) Uani 1 1 d . . . . . 0
C18 C 0.54218(16) 0.69567(13) 0.09503(9) 0.0364(5) Uani 1 1 d . . . . . 0
C19 C 0.46472(17) 0.65545(13) 0.06615(9) 0.0398(5) Uani 1 1 d . . . . . 0
H19 H 0.4686 0.6016 0.0601 0.048 Uiso 1 1 calc R U . . . 0
C20 C 0.38181(16) 0.69296(14) 0.04598(9) 0.0393(5) Uani 1 1 d . . . . . 0
C21 C 0.37722(16) 0.77286(14) 0.05713(9) 0.0381(5) Uani 1 1 d . . . . . 0
H21 H 0.3220 0.7989 0.0445 0.046 Uiso 1 1 calc R U . . . 0
C22 C 0.45317(15) 0.81502(13) 0.08675(9) 0.0349(4) Uani 1 1 d . . . . . 0
C23 C 0.44423(17) 0.90239(13) 0.09595(11) 0.0424(5) Uani 1 1 d . . . . . 0
H23A H 0.3811 0.9172 0.0849 0.064 Uiso 1 1 calc R U . . . 0
H23B H 0.4781 0.9304 0.0715 0.064 Uiso 1 1 calc R U . . . 0
H23C H 0.4678 0.9151 0.1373 0.064 Uiso 1 1 calc R U . . . 0
C24 C 0.63101(17) 0.65197(15) 0.11331(11) 0.0448(5) Uani 1 1 d . . . . . 0
H24A H 0.6734 0.6711 0.0907 0.067 Uiso 1 1 calc R U . . . 0
H24B H 0.6207 0.5969 0.1056 0.067 Uiso 1 1 calc R U . . . 0
H24C H 0.6555 0.6600 0.1552 0.067 Uiso 1 1 calc R U . . . 0
C25 C 0.30070(19) 0.64870(16) 0.01099(11) 0.0500(6) Uani 1 1 d . . . . . 0
H25A H 0.3102 0.6372 -0.0283 0.075 Uiso 1 1 calc R U . . . 0
H25B H 0.2468 0.6802 0.0077 0.075 Uiso 1 1 calc R U . . . 0
H25C H 0.2935 0.6005 0.0313 0.075 Uiso 1 1 calc R U . . . 0
C31 C 0.20326(16) 1.03009(14) 0.33337(11) 0.0442(5) Uani 1 1 d . . . . . 0
H31A H 0.2091 0.9825 0.3564 0.066 Uiso 1 1 calc R U . . . 0
H31B H 0.1445 1.0314 0.3066 0.066 Uiso 1 1 calc R U . . . 0
H31C H 0.2094 1.0745 0.3598 0.066 Uiso 1 1 calc R U . . . 0
C32 C 0.27754(14) 1.03297(12) 0.29730(10) 0.0326(4) Uani 1 1 d . . . . . 0
C33 C 0.24601(14) 1.05338(12) 0.23662(10) 0.0332(4) Uani 1 1 d . . . . . 0
H33 H 0.1830 1.0550 0.2234 0.040 Uiso 1 1 calc R U . . . 0
C34 C 0.29643(14) 1.07161(11) 0.19331(9) 0.0312(4) Uani 1 1 d . . . . . 0
C35 C 0.24383(15) 1.10959(14) 0.13646(10) 0.0404(5) Uani 1 1 d . . . . . 0
H35A H 0.2712 1.1592 0.1307 0.061 Uiso 1 1 calc R U . . . 0
H35B H 0.1818 1.1178 0.1396 0.061 Uiso 1 1 calc R U . . . 0
H35C H 0.2451 1.0759 0.1030 0.061 Uiso 1 1 calc R U . . . 0
C36 C 0.43147(14) 1.08633(12) 0.15524(9) 0.0330(4) Uani 1 1 d . . . . . 0
H36A H 0.3970 1.0677 0.1169 0.040 Uiso 1 1 calc R U . . . 0
H36B H 0.4906 1.0609 0.1620 0.040 Uiso 1 1 calc R U . . . 0
C37 C 0.44720(13) 1.17409(12) 0.14885(9) 0.0316(4) Uani 1 1 d . . . . . 0
C38 C 0.44133(13) 1.23257(12) 0.19123(9) 0.0319(4) Uani 1 1 d . . . . . 0
C39 C 0.45746(14) 1.31089(13) 0.17762(10) 0.0367(5) Uani 1 1 d . . . . . 0
H39 H 0.4525 1.3496 0.2055 0.044 Uiso 1 1 calc R U . . . 0
C40 C 0.48032(15) 1.33301(13) 0.12469(11) 0.0420(5) Uani 1 1 d . . . . . 0
C41 C 0.48747(16) 1.27501(15) 0.08411(11) 0.0432(5) Uani 1 1 d . . . . . 0
H41 H 0.5032 1.2887 0.0483 0.052 Uiso 1 1 calc R U . . . 0
C42 C 0.47174(15) 1.19647(13) 0.09518(10) 0.0374(5) Uani 1 1 d . . . . . 0
C43 C 0.4827(2) 1.13630(16) 0.04912(11) 0.0523(6) Uani 1 1 d . . . . . 0
H43A H 0.5058 1.1612 0.0178 0.078 Uiso 1 1 calc R U . . . 0
H43B H 0.4246 1.1128 0.0325 0.078 Uiso 1 1 calc R U . . . 0
H43C H 0.5247 1.0964 0.0676 0.078 Uiso 1 1 calc R U . . . 0
C44 C 0.41931(15) 1.21666(12) 0.25176(9) 0.0353(4) Uani 1 1 d . . . . . 0
H44A H 0.3572 1.1994 0.2463 0.053 Uiso 1 1 calc R U . . . 0
H44B H 0.4275 1.2639 0.2752 0.053 Uiso 1 1 calc R U . . . 0
H44C H 0.4592 1.1766 0.2721 0.053 Uiso 1 1 calc R U . . . 0
C45 C 0.4986(2) 1.41852(15) 0.11227(15) 0.0579(7) Uani 1 1 d . . . . . 0
H45A H 0.4626 1.4333 0.0739 0.087 Uiso 1 1 calc R U . . . 0
H45B H 0.5621 1.4252 0.1123 0.087 Uiso 1 1 calc R U . . . 0
H45C H 0.4827 1.4510 0.1427 0.087 Uiso 1 1 calc R U . . . 0
C46 C 0.39005(15) 1.00914(13) 0.38782(9) 0.0366(5) Uani 1 1 d . . . . . 0
H46A H 0.3952 0.9537 0.3979 0.044 Uiso 1 1 calc R U . . . 0
H46B H 0.3422 1.0312 0.4053 0.044 Uiso 1 1 calc R U . . . 0
C47 C 0.47938(15) 1.04953(12) 0.41472(9) 0.0347(4) Uani 1 1 d . . . . . 0
C48 C 0.55909(17) 1.00630(13) 0.43669(9) 0.0385(5) Uani 1 1 d . . . . . 0
C49 C 0.63810(17) 1.04547(14) 0.46563(10) 0.0431(5) Uani 1 1 d . . . . . 0
H49 H 0.6905 1.0163 0.4805 0.052 Uiso 1 1 calc R U . . . 0
C50 C 0.64114(17) 1.12619(15) 0.47291(10) 0.0443(5) Uani 1 1 d . . . . . 0
C51 C 0.56236(17) 1.16874(13) 0.44848(10) 0.0416(5) Uani 1 1 d . . . . . 0
H51 H 0.5637 1.2232 0.4512 0.050 Uiso 1 1 calc R U . . . 0
C52 C 0.48176(16) 1.13167(13) 0.42016(9) 0.0380(5) Uani 1 1 d . . . . . 0
C53 C 0.39726(17) 1.18052(14) 0.39841(11) 0.0437(5) Uani 1 1 d . . . . . 0
H53A H 0.4135 1.2351 0.3999 0.066 Uiso 1 1 calc R U . . . 0
H53B H 0.3547 1.1714 0.4236 0.066 Uiso 1 1 calc R U . . . 0
H53C H 0.3698 1.1661 0.3580 0.066 Uiso 1 1 calc R U . . . 0
C54 C 0.56103(19) 0.91804(14) 0.43061(11) 0.0463(6) Uani 1 1 d . . . . . 0
H54A H 0.5268 0.8945 0.4570 0.069 Uiso 1 1 calc R U . . . 0
H54B H 0.6230 0.9000 0.4409 0.069 Uiso 1 1 calc R U . . . 0
H54C H 0.5345 0.9035 0.3900 0.069 Uiso 1 1 calc R U . . . 0
C55 C 0.7257(2) 1.16618(19) 0.50798(12) 0.0605(7) Uani 1 1 d . . . . . 0
H55A H 0.7369 1.2133 0.4876 0.091 Uiso 1 1 calc R U . . . 0
H55B H 0.7770 1.1314 0.5114 0.091 Uiso 1 1 calc R U . . . 0
H55C H 0.7171 1.1792 0.5472 0.091 Uiso 1 1 calc R U . . . 0
C60 C 0.65281(14) 1.00538(12) 0.27583(10) 0.0341(4) Uani 1 1 d . . . . . 0
C61 C 0.68644(15) 1.00742(14) 0.21724(11) 0.0427(5) Uani 1 1 d . . . . . 0
H61A H 0.7047 0.9556 0.2081 0.064 Uiso 1 1 calc R U . . . 0
H61B H 0.7375 1.0425 0.2214 0.064 Uiso 1 1 calc R U . . . 0
H61C H 0.6382 1.0255 0.1854 0.064 Uiso 1 1 calc R U . . . 0
C62 C 0.72691(15) 0.97102(13) 0.32583(12) 0.0429(5) Uani 1 1 d . . . . . 0
H62A H 0.7056 0.9702 0.3625 0.064 Uiso 1 1 calc R U . . . 0
H62B H 0.7808 1.0028 0.3309 0.064 Uiso 1 1 calc R U . . . 0
H62C H 0.7408 0.9185 0.3155 0.064 Uiso 1 1 calc R U . . . 0
C63 C 0.62912(14) 1.08844(12) 0.29243(11) 0.0385(5) Uani 1 1 d . . . . . 0
H63A H 0.5839 1.1103 0.2604 0.058 Uiso 1 1 calc R U . . . 0
H63B H 0.6829 1.1205 0.2991 0.058 Uiso 1 1 calc R U . . . 0
H63C H 0.6056 1.0868 0.3283 0.058 Uiso 1 1 calc R U . . . 0
C70 C 0.35477(13) 0.81530(12) 0.24413(10) 0.0316(4) Uani 1 1 d . . . . . 0
C71 C 0.28102(14) 0.84908(13) 0.19365(11) 0.0377(5) Uani 1 1 d . . . . . 0
H71A H 0.2671 0.9018 0.2035 0.056 Uiso 1 1 calc R U . . . 0
H71B H 0.2270 0.8174 0.1887 0.056 Uiso 1 1 calc R U . . . 0
H71C H 0.3026 0.8493 0.1571 0.056 Uiso 1 1 calc R U . . . 0
C72 C 0.37783(14) 0.73224(12) 0.22739(10) 0.0355(4) Uani 1 1 d . . . . . 0
H72A H 0.4037 0.7340 0.1925 0.053 Uiso 1 1 calc R U . . . 0
H72B H 0.3233 0.7010 0.2191 0.053 Uiso 1 1 calc R U . . . 0
H72C H 0.4210 0.7093 0.2600 0.053 Uiso 1 1 calc R U . . . 0
C73 C 0.32037(14) 0.81406(13) 0.30240(10) 0.0377(5) Uani 1 1 d . . . . . 0
H73A H 0.3680 0.7955 0.3344 0.057 Uiso 1 1 calc R U . . . 0
H73B H 0.2686 0.7797 0.2979 0.057 Uiso 1 1 calc R U . . . 0
H73C H 0.3029 0.8662 0.3114 0.057 Uiso 1 1 calc R U . . . 0
C100 C 0.7191(2) 0.4996(2) 0.4488(2) 0.121(2) Uani 1 1 d D . . . . 2
Cl1A Cl 0.7146(3) 0.40132(19) 0.46571(16) 0.1039(12) Uani 0.653(2) 1 d D U P A
1 0
Cl2A Cl 0.70140(8) 0.55788(7) 0.51587(6) 0.0689(4) Uani 0.653(2) 1 d D . P A 1 0
Cl1B Cl 0.7037(3) 0.39458(18) 0.46305(16) 0.0379(7) Uani 0.347(2) 1 d D U P A 2 0
Cl2B Cl 0.8258(2) 0.51957(16) 0.46206(15) 0.1022(13) Uani 0.347(2) 1 d D . P A
2 0
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_publ_flag
O2 MG1 O1 82.17(6) y
O2 MG1 N2 115.68(7) y
O1 MG1 N2 124.14(7) y
O2 MG1 N1 138.57(7) y
O1 MG1 N1 110.05(7) y
N2 MG1 N1 90.61(7) y
O2 MG1 MG2 41.43(4) y
O1 MG1 MG2 40.73(4) y
N2 MG1 MG2 131.14(5) y
N1 MG1 MG2 136.46(5) y
O1 MG2 O2 82.01(6) y
O1 MG2 N12 115.09(7) y
O2 MG2 N12 122.73(7) y
O1 MG2 N11 137.66(7) y
O2 MG2 N11 112.43(7) y
N12 MG2 N11 90.97(7) y
O1 MG2 MG1 41.16(4) y
O2 MG2 MG1 40.85(4) y
N12 MG2 MG1 129.94(5) y
N11 MG2 MG1 137.72(5) y
C2 N1 C16 118.68(17) y
C2 N1 MG1 117.28(14) y
C16 N1 MG1 121.94(13) y
C4 N2 C6 118.44(17) y
C4 N2 MG1 120.13(13) y
C6 N2 MG1 120.70(13) y
C32 N11 C46 118.32(17) y
C32 N11 MG2 116.03(13) y
C46 N11 MG2 123.61(14) y
C34 N12 C36 117.53(17) y
C34 N12 MG2 118.90(14) y
C36 N12 MG2 122.00(13) y
C60 O1 MG2 134.01(12) y
C60 O1 MG1 127.86(12) y
MG2 O1 MG1 98.11(6) y
C70 O2 MG1 134.49(12) y
C70 O2 MG2 127.78(11) y
MG1 O2 MG2 97.71(6) y
C2 C1 H1A 109.5 ?
C2 C1 H1B 109.5 ?
H1A C1 H1B 109.5 ?
C2 C1 H1C 109.5 ?
H1A C1 H1C 109.5 ?
H1B C1 H1C 109.5 ?
N1 C2 C3 123.99(18) y
N1 C2 C1 121.74(19) y
C3 C2 C1 114.28(18) y
C4 C3 C2 128.75(18) y
C4 C3 H3 115.6 ?
C2 C3 H3 115.6 ?
N2 C4 C3 123.42(18) y
N2 C4 C5 121.06(19) y
C3 C4 C5 115.48(18) y
C4 C5 H5A 109.5 ?
C4 C5 H5B 109.5 ?
H5A C5 H5B 109.5 ?
C4 C5 H5C 109.5 ?
H5A C5 H5C 109.5 ?
H5B C5 H5C 109.5 ?
N2 C6 C7 119.44(16) y
N2 C6 H6A 107.5 ?
C7 C6 H6A 107.5 ?
N2 C6 H6B 107.5 ?
C7 C6 H6B 107.5 ?
H6A C6 H6B 107.0 ?
C12 C7 C8 118.65(18) y
C12 C7 C6 115.15(17) y
C8 C7 C6 126.15(18) y
C9 C8 C7 118.51(19) y
C9 C8 C14 116.24(18) y
C7 C8 C14 125.22(18) y
C10 C9 C8 123.3(2) y
C10 C9 H9 118.4 ?
C8 C9 H9 118.4 ?
C9 C10 C11 117.44(19) y
C9 C10 C15 121.1(2) y
C11 C10 C15 121.5(2) y
C10 C11 C12 121.6(2) y
C10 C11 H11 119.2 ?
C12 C11 H11 119.2 ?
C11 C12 C7 120.45(19) y
C11 C12 C13 118.31(19) y
C7 C12 C13 121.21(19) y
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 ?
C8 C14 H14A 109.5 ?
C8 C14 H14B 109.5 ?
H14A C14 H14B 109.5 ?
C8 C14 H14C 109.5 ?
H14A C14 H14C 109.5 ?
H14B C14 H14C 109.5 ?
C10 C15 H15A 109.5 ?
C10 C15 H15B 109.5 ?
H15A C15 H15B 109.5 ?
C10 C15 H15C 109.5 ?
H15A C15 H15C 109.5 ?
H15B C15 H15C 109.5 ?
N1 C16 C17 111.45(16) y
N1 C16 H16A 109.3 ?
C17 C16 H16A 109.3 ?
N1 C16 H16B 109.3 ?
C17 C16 H16B 109.3 ?
H16A C16 H16B 108.0 ?
C22 C17 C18 119.2(2) y
C22 C17 C16 121.25(19) y
C18 C17 C16 119.5(2) y
C19 C18 C17 119.5(2) y
C19 C18 C24 119.3(2) y
C17 C18 C24 121.2(2) y
C20 C19 C18 122.1(2) y
C20 C19 H19 119.0 ?
C18 C19 H19 119.0 ?
C19 C20 C21 117.8(2) y
C19 C20 C25 120.7(2) y
C21 C20 C25 121.4(2) y
C20 C21 C22 121.8(2) y
C20 C21 H21 119.1 ?
C22 C21 H21 119.1 ?
C21 C22 C17 119.7(2) y
C21 C22 C23 119.1(2) y
C17 C22 C23 121.2(2) y
C22 C23 H23A 109.5 ?
C22 C23 H23B 109.5 ?
H23A C23 H23B 109.5 ?
C22 C23 H23C 109.5 ?
H23A C23 H23C 109.5 ?
H23B C23 H23C 109.5 ?
C18 C24 H24A 109.5 ?
C18 C24 H24B 109.5 ?
H24A C24 H24B 109.5 ?
C18 C24 H24C 109.5 ?
H24A C24 H24C 109.5 ?
H24B C24 H24C 109.5 ?
C20 C25 H25A 109.5 ?
C20 C25 H25B 109.5 ?
H25A C25 H25B 109.5 ?
C20 C25 H25C 109.5 ?
H25A C25 H25C 109.5 ?
H25B C25 H25C 109.5 ?
C32 C31 H31A 109.5 ?
C32 C31 H31B 109.5 ?
H31A C31 H31B 109.5 ?
C32 C31 H31C 109.5 ?
H31A C31 H31C 109.5 ?
H31B C31 H31C 109.5 ?
N11 C32 C33 124.18(18) y
N11 C32 C31 121.6(2) y
C33 C32 C31 114.26(19) y
C34 C33 C32 129.11(19) y
C34 C33 H33 115.4 ?
C32 C33 H33 115.4 ?
N12 C34 C33 122.81(18) y
N12 C34 C35 121.11(19) y
C33 C34 C35 116.07(18) y
C34 C35 H35A 109.5 ?
C34 C35 H35B 109.5 ?
H35A C35 H35B 109.5 ?
C34 C35 H35C 109.5 ?
H35A C35 H35C 109.5 ?
H35B C35 H35C 109.5 ?
N12 C36 C37 119.94(17) y
N12 C36 H36A 107.3 ?
C37 C36 H36A 107.3 ?
N12 C36 H36B 107.3 ?
C37 C36 H36B 107.3 ?
H36A C36 H36B 106.9 ?
C38 C37 C42 118.47(19) y
C38 C37 C36 126.44(18) y
C42 C37 C36 115.08(18) y
C39 C38 C37 118.75(19) y
C39 C38 C44 117.06(19) y
C37 C38 C44 124.19(18) y
C40 C39 C38 122.8(2) y
C40 C39 H39 118.6 ?
C38 C39 H39 118.6 ?
C41 C40 C39 117.8(2) y
C41 C40 C45 121.2(2) y
C39 C40 C45 121.0(2) y
C40 C41 C42 121.8(2) y
C40 C41 H41 119.1 ?
C42 C41 H41 119.1 ?
C41 C42 C37 120.4(2) y
C41 C42 C43 118.6(2) y
C37 C42 C43 121.0(2) y
C42 C43 H43A 109.5 ?
C42 C43 H43B 109.5 ?
H43A C43 H43B 109.5 ?
C42 C43 H43C 109.5 ?
H43A C43 H43C 109.5 ?
H43B C43 H43C 109.5 ?
C38 C44 H44A 109.5 ?
C38 C44 H44B 109.5 ?
H44A C44 H44B 109.5 ?
C38 C44 H44C 109.5 ?
H44A C44 H44C 109.5 ?
H44B C44 H44C 109.5 ?
C40 C45 H45A 109.5 ?
C40 C45 H45B 109.5 ?
H45A C45 H45B 109.5 ?
C40 C45 H45C 109.5 ?
H45A C45 H45C 109.5 ?
H45B C45 H45C 109.5 ?
N11 C46 C47 112.61(16) y
N11 C46 H46A 109.1 ?
C47 C46 H46A 109.1 ?
N11 C46 H46B 109.1 ?
C47 C46 H46B 109.1 ?
H46A C46 H46B 107.8 ?
C48 C47 C52 119.2(2) y
C48 C47 C46 121.32(19) y
C52 C47 C46 119.5(2) y
C49 C48 C47 119.4(2) y
C49 C48 C54 119.2(2) y
C47 C48 C54 121.4(2) y
C50 C49 C48 122.2(2) y
C50 C49 H49 118.9 ?
C48 C49 H49 118.9 ?
C49 C50 C51 117.6(2) y
C49 C50 C55 120.9(3) y
C51 C50 C55 121.4(2) y
C52 C51 C50 121.8(2) y
C52 C51 H51 119.1 ?
C50 C51 H51 119.1 ?
C51 C52 C47 119.7(2) y
C51 C52 C53 119.2(2) y
C47 C52 C53 121.1(2) y
C52 C53 H53A 109.5 ?
C52 C53 H53B 109.5 ?
H53A C53 H53B 109.5 ?
C52 C53 H53C 109.5 ?
H53A C53 H53C 109.5 ?
H53B C53 H53C 109.5 ?
C48 C54 H54A 109.5 ?
C48 C54 H54B 109.5 ?
H54A C54 H54B 109.5 ?
C48 C54 H54C 109.5 ?
H54A C54 H54C 109.5 ?
H54B C54 H54C 109.5 ?
C50 C55 H55A 109.5 ?
C50 C55 H55B 109.5 ?
H55A C55 H55B 109.5 ?
C50 C55 H55C 109.5 ?
H55A C55 H55C 109.5 ?
H55B C55 H55C 109.5 ?
O1 C60 C63 109.13(16) y
O1 C60 C62 108.89(17) y
C63 C60 C62 109.85(18) y
O1 C60 C61 109.54(17) y
C63 C60 C61 109.59(18) y
C62 C60 C61 109.83(18) y
C60 C61 H61A 109.5 ?
C60 C61 H61B 109.5 ?
H61A C61 H61B 109.5 ?
C60 C61 H61C 109.5 ?
H61A C61 H61C 109.5 ?
H61B C61 H61C 109.5 ?
C60 C62 H62A 109.5 ?
C60 C62 H62B 109.5 ?
H62A C62 H62B 109.5 ?
C60 C62 H62C 109.5 ?
H62A C62 H62C 109.5 ?
H62B C62 H62C 109.5 ?
C60 C63 H63A 109.5 ?
C60 C63 H63B 109.5 ?
H63A C63 H63B 109.5 ?
C60 C63 H63C 109.5 ?
H63A C63 H63C 109.5 ?
H63B C63 H63C 109.5 ?
O2 C70 C72 109.32(15) y
O2 C70 C71 109.39(16) y
C72 C70 C71 109.03(17) y
O2 C70 C73 109.27(16) y
C72 C70 C73 110.10(17) y
C71 C70 C73 109.72(17) y
C70 C71 H71A 109.5 ?
C70 C71 H71B 109.5 ?
H71A C71 H71B 109.5 ?
C70 C71 H71C 109.5 ?
H71A C71 H71C 109.5 ?
H71B C71 H71C 109.5 ?
C70 C72 H72A 109.5 ?
C70 C72 H72B 109.5 ?
H72A C72 H72B 109.5 ?
C70 C72 H72C 109.5 ?
H72A C72 H72C 109.5 ?
H72B C72 H72C 109.5 ?
C70 C73 H73A 109.5 ?
C70 C73 H73B 109.5 ?
H73A C73 H73B 109.5 ?
C70 C73 H73C 109.5 ?
H73A C73 H73C 109.5 ?
H73B C73 H73C 109.5 ?
CL2B C100 CL1B 109.4(2) y
CL1A C100 CL2A 108.0(2) y
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Mg1 O2 1.9612(14) y
Mg1 O1 1.9752(15) y
Mg1 N2 2.0468(17) y
Mg1 N1 2.0718(18) y
Mg1 Mg2 2.9711(9) y
Mg2 O1 1.9583(14) y
Mg2 O2 1.9841(14) y
Mg2 N12 2.0465(17) y
Mg2 N11 2.0660(18) y
N1 C2 1.332(3) y
N1 C16 1.477(3) y
N2 C4 1.328(3) y
N2 C6 1.457(3) y
N11 C32 1.332(3) y
N11 C46 1.471(3) y
N12 C34 1.324(3) y
N12 C36 1.465(3) y
O1 C60 1.425(2) y
O2 C70 1.433(2) y
C1 C2 1.523(3) y
C1 H1a 0.9600 ?
C1 H1b 0.9600 ?
C1 H1c 0.9600 ?
C2 C3 1.411(3) y
C3 C4 1.401(3) y
C3 H3 0.9300 ?
C4 C5 1.516(3) y
C5 H5a 0.9600 ?
C5 H5b 0.9600 ?
C5 H5c 0.9600 ?
C6 C7 1.531(3) y
C6 H6a 0.9700 ?
C6 H6b 0.9700 ?
C7 C12 1.407(3) y
C7 C8 1.411(3) y
C8 C9 1.396(3) y
C8 C14 1.509(3) y
C9 C10 1.384(3) y
C9 H9 0.9300 ?
C10 C11 1.386(3) y
C10 C15 1.510(3) y
C11 C12 1.390(3) y
C11 H11 0.9300 ?
C12 C13 1.509(3) y
C13 H13a 0.9600 ?
C13 H13b 0.9600 ?
C13 H13c 0.9600 ?
C14 H14a 0.9600 ?
C14 H14b 0.9600 ?
C14 H14c 0.9600 ?
C15 H15a 0.9600 ?
C15 H15b 0.9600 ?
C15 H15c 0.9600 ?
C16 C17 1.518(3) y
C16 H16a 0.9700 ?
C16 H16b 0.9700 ?
C17 C22 1.399(3) y
C17 C18 1.404(3) y
C18 C19 1.388(3) y
C18 C24 1.506(3) y
C19 C20 1.387(3) y
C19 H19 0.9300 ?
C20 C21 1.388(3) y
C20 C25 1.507(3) y
C21 C22 1.393(3) y
C21 H21 0.9300 ?
C22 C23 1.512(3) y
C23 H23a 0.9600 ?
C23 H23b 0.9600 ?
C23 H23c 0.9600 ?
C24 H24a 0.9600 ?
C24 H24b 0.9600 ?
C24 H24c 0.9600 ?
C25 H25a 0.9600 ?
C25 H25b 0.9600 ?
C25 H25c 0.9600 ?
C31 C32 1.524(3) y
C31 H31a 0.9600 ?
C31 H31b 0.9600 ?
C31 H31c 0.9600 ?
C32 C33 1.410(3) y
C33 C34 1.405(3) y
C33 H33 0.9300 ?
C34 C35 1.513(3) y
C35 H35a 0.9600 ?
C35 H35b 0.9600 ?
C35 H35c 0.9600 ?
C36 C37 1.525(3) y
C36 H36a 0.9700 ?
C36 H36b 0.9700 ?
C37 C38 1.405(3) y
C37 C42 1.408(3) y
C38 C39 1.402(3) y
C38 C44 1.515(3) y
C39 C40 1.380(3) y
C39 H39 0.9300 ?
C40 C41 1.375(4) y
C40 C45 1.520(3) y
C41 C42 1.391(3) y
C41 H41 0.9300 ?
C42 C43 1.504(3) y
C43 H43a 0.9600 ?
C43 H43b 0.9600 ?
C43 H43c 0.9600 ?
C44 H44a 0.9600 ?
C44 H44b 0.9600 ?
C44 H44c 0.9600 ?
C45 H45a 0.9600 ?
C45 H45b 0.9600 ?
C45 H45c 0.9600 ?
C46 C47 1.515(3) y
C46 H46a 0.9700 ?
C46 H46b 0.9700 ?
C47 C48 1.403(3) y
C47 C52 1.404(3) y
C48 C49 1.397(3) y
C48 C54 1.510(3) y
C49 C50 1.384(3) y
C49 H49 0.9300 ?
C50 C51 1.397(4) y
C50 C55 1.510(4) y
C51 C52 1.394(3) y
C51 H51 0.9300 ?
C52 C53 1.509(3) y
C53 H53a 0.9600 ?
C53 H53b 0.9600 ?
C53 H53c 0.9600 ?
C54 H54a 0.9600 ?
C54 H54b 0.9600 ?
C54 H54c 0.9600 ?
C55 H55a 0.9600 ?
C55 H55b 0.9600 ?
C55 H55c 0.9600 ?
C60 C63 1.526(3) y
C60 C62 1.530(3) y
C60 C61 1.531(3) y
C61 H61a 0.9600 ?
C61 H61b 0.9600 ?
C61 H61c 0.9600 ?
C62 H62a 0.9600 ?
C62 H62b 0.9600 ?
C62 H62c 0.9600 ?
C63 H63a 0.9600 ?
C63 H63b 0.9600 ?
C63 H63c 0.9600 ?
C70 C72 1.524(3) y
C70 C71 1.529(3) y
C70 C73 1.530(3) y
C71 H71a 0.9600 ?
C71 H71b 0.9600 ?
C71 H71c 0.9600 ?
C72 H72a 0.9600 ?
C72 H72b 0.9600 ?
C72 H72c 0.9600 ?
C73 H73a 0.9600 ?
C73 H73b 0.9600 ?
C73 H73c 0.9600 ?
C100 Cl2b 1.601(4) y
C100 Cl1a 1.721(4) y
C100 Cl1b 1.840(4) y
C100 Cl2a 1.893(5) y
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_publ_flag
C16 N1 C2 C3 -170.24(19) y
MG1 N1 C2 C3 25.9(3) y
C16 N1 C2 C1 9.7(3) y
MG1 N1 C2 C1 -154.14(16) y
N1 C2 C3 C4 7.1(3) y
C1 C2 C3 C4 -172.9(2) y
C6 N2 C4 C3 173.28(18) y
MG1 N2 C4 C3 -16.4(3) y
C6 N2 C4 C5 -4.4(3) y
MG1 N2 C4 C5 165.88(14) y
C2 C3 C4 N2 -13.1(3) y
C2 C3 C4 C5 164.7(2) y
C4 N2 C6 C7 -75.2(2) y
MG1 N2 C6 C7 114.60(17) y
N2 C6 C7 C12 170.97(18) y
N2 C6 C7 C8 -11.5(3) y
C12 C7 C8 C9 -2.5(3) y
C6 C7 C8 C9 -179.94(19) y
C12 C7 C8 C14 175.61(19) y
C6 C7 C8 C14 -1.8(3) y
C7 C8 C9 C10 1.3(3) y
C14 C8 C9 C10 -176.96(19) y
C8 C9 C10 C11 0.5(3) y
C8 C9 C10 C15 179.5(2) y
C9 C10 C11 C12 -1.0(3) y
C15 C10 C11 C12 179.9(2) y
C10 C11 C12 C7 -0.2(3) y
C10 C11 C12 C13 177.8(2) y
C8 C7 C12 C11 2.0(3) y
C6 C7 C12 C11 179.70(19) y
C8 C7 C12 C13 -176.0(2) y
C6 C7 C12 C13 1.7(3) y
C2 N1 C16 C17 133.15(19) y
MG1 N1 C16 C17 -63.8(2) y
N1 C16 C17 C22 105.2(2) y
N1 C16 C17 C18 -77.3(2) y
C22 C17 C18 C19 0.7(3) y
C16 C17 C18 C19 -176.83(18) y
C22 C17 C18 C24 179.07(19) y
C16 C17 C18 C24 1.5(3) y
C17 C18 C19 C20 1.1(3) y
C24 C18 C19 C20 -177.3(2) y
C18 C19 C20 C21 -1.9(3) y
C18 C19 C20 C25 175.7(2) y
C19 C20 C21 C22 1.0(3) y
C25 C20 C21 C22 -176.6(2) y
C20 C21 C22 C17 0.8(3) y
C20 C21 C22 C23 178.3(2) y
C18 C17 C22 C21 -1.7(3) y
C16 C17 C22 C21 175.87(18) y
C18 C17 C22 C23 -179.10(19) y
C16 C17 C22 C23 -1.6(3) y
C46 N11 C32 C33 170.59(19) y
MG2 N11 C32 C33 -25.1(3) y
C46 N11 C32 C31 -9.1(3) y
MG2 N11 C32 C31 155.20(16) y
N11 C32 C33 C34 -9.2(3) y
C31 C32 C33 C34 170.5(2) y
C36 N12 C34 C33 -174.41(18) y
MG2 N12 C34 C33 19.6(3) y
C36 N12 C34 C35 4.5(3) y
MG2 N12 C34 C35 -161.55(15) y
C32 C33 C34 N12 12.9(3) y
C32 C33 C34 C35 -166.0(2) y
C34 N12 C36 C37 71.5(2) y
MG2 N12 C36 C37 -122.94(17) y
N12 C36 C37 C38 16.0(3) y
N12 C36 C37 C42 -165.35(18) y
C42 C37 C38 C39 1.9(3) y
C36 C37 C38 C39 -179.57(19) y
C42 C37 C38 C44 -177.55(19) y
C36 C37 C38 C44 1.0(3) y
C37 C38 C39 C40 -1.1(3) y
C44 C38 C39 C40 178.4(2) y
C38 C39 C40 C41 -0.1(3) y
C38 C39 C40 C45 -179.1(2) y
C39 C40 C41 C42 0.5(3) y
C45 C40 C41 C42 179.4(2) y
C40 C41 C42 C37 0.4(3) y
C40 C41 C42 C43 -178.8(2) y
C38 C37 C42 C41 -1.6(3) y
C36 C37 C42 C41 179.7(2) y
C38 C37 C42 C43 177.6(2) y
C36 C37 C42 C43 -1.1(3) y
C32 N11 C46 C47 -137.71(19) y
MG2 N11 C46 C47 59.2(2) y
N11 C46 C47 C48 -107.1(2) y
N11 C46 C47 C52 75.7(2) y
C52 C47 C48 C49 2.5(3) y
C46 C47 C48 C49 -174.69(19) y
C52 C47 C48 C54 -178.4(2) y
C46 C47 C48 C54 4.3(3) y
C47 C48 C49 C50 -0.8(3) y
C54 C48 C49 C50 -179.9(2) y
C48 C49 C50 C51 -2.0(3) y
C48 C49 C50 C55 175.9(2) y
C49 C50 C51 C52 3.0(3) y
C55 C50 C51 C52 -174.8(2) y
C50 C51 C52 C47 -1.3(3) y
C50 C51 C52 C53 175.9(2) y
C48 C47 C52 C51 -1.5(3) y
C46 C47 C52 C51 175.76(18) y
C48 C47 C52 C53 -178.66(19) y
C46 C47 C52 C53 -1.4(3) y
MG2 O1 C60 C63 9.3(3) y
MG1 O1 C60 C63 -172.59(14) y
MG2 O1 C60 C62 129.19(17) y
MG1 O1 C60 C62 -52.7(2) y
MG2 O1 C60 C61 -110.70(19) y
MG1 O1 C60 C61 67.4(2) y
MG1 O2 C70 C72 -9.2(3) y
MG2 O2 C70 C72 172.64(13) y
MG1 O2 C70 C71 -128.56(16) y
MG2 O2 C70 C71 53.3(2) y
MG1 O2 C70 C73 111.32(18) y
MG2 O2 C70 C73 -66.8(2) y
