# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        "Charles T O'Hara"
_publ_contact_author_email       CHARLIE.OHARA@STRATH.AC.UK

_publ_section_title              
;
Isolation and characterisation of a (-)-sparteine
coordinated mixed alkyl/amido sodium magnesiate, a chiral variant of an
important utility ate base
;
loop_
_publ_author_name
"Charles T O'Hara"
'Alan R Kennedy'

# Attachment 'spart_complex1.cif'

data_grem183
_database_code_depnum_ccdc_archive 'CCDC 690640'

#-------------------------------------------
#------------COMPOUND 2---------------------
#-------------------------------------------

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H71 Mg N4 Na'
_chemical_formula_weight         619.28

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   8.3139(2)
_cell_length_b                   19.2090(3)
_cell_length_c                   11.6299(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.974(1)
_cell_angle_gamma                90.00
_cell_volume                     1852.85(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    4340
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      27.48

_exptl_crystal_description       'cut chunk'
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.110
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             688
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            43293
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         27.49
_reflns_number_total             8416
_reflns_number_gt                6979
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'Denzo & Collect'
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0359P)^2^+0.5909P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(17)
_chemical_absolute_configuration syn
# Note Flack error large - but agrees with synthetic expectation
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8416
_refine_ls_number_parameters     405
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0421
_refine_ls_wR_factor_ref         0.0924
_refine_ls_wR_factor_gt          0.0840
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg1 Mg 0.74181(7) 0.43291(3) 0.97310(5) 0.01923(13) Uani 1 1 d . . .
Na1 Na 0.89266(9) 0.50063(4) 1.19722(6) 0.02274(17) Uani 1 1 d . . .
N1 N 0.71277(18) 0.37174(8) 0.83316(13) 0.0207(3) Uani 1 1 d . . .
N2 N 0.80330(18) 0.53783(8) 0.99435(13) 0.0188(3) Uani 1 1 d . . .
N3 N 1.15925(18) 0.48226(8) 1.29970(13) 0.0201(3) Uani 1 1 d . . .
N4 N 0.87632(18) 0.54505(8) 1.40084(13) 0.0196(3) Uani 1 1 d . . .
C1 C 0.8298(2) 0.31808(10) 0.80521(16) 0.0226(4) Uani 1 1 d . . .
C2 C 0.7515(3) 0.24561(10) 0.79333(18) 0.0279(4) Uani 1 1 d . . .
H2A H 0.8307 0.2123 0.7652 0.033 Uiso 1 1 calc R . .
H2B H 0.7227 0.2296 0.8702 0.033 Uiso 1 1 calc R . .
C3 C 0.6008(3) 0.24529(11) 0.7110(2) 0.0324(5) Uani 1 1 d . . .
H3A H 0.5494 0.1988 0.7110 0.039 Uiso 1 1 calc R . .
H3B H 0.6301 0.2556 0.6317 0.039 Uiso 1 1 calc R . .
C4 C 0.4837(3) 0.30014(11) 0.7497(2) 0.0317(5) Uani 1 1 d . . .
H4A H 0.4446 0.2860 0.8247 0.038 Uiso 1 1 calc R . .
H4B H 0.3895 0.3024 0.6929 0.038 Uiso 1 1 calc R . .
C5 C 0.5598(2) 0.37281(10) 0.76212(16) 0.0239(4) Uani 1 1 d . . .
C6 C 0.9592(2) 0.31430(11) 0.90513(18) 0.0278(4) Uani 1 1 d . . .
H6A H 1.0192 0.3582 0.9102 0.042 Uiso 1 1 calc R . .
H6B H 1.0334 0.2759 0.8918 0.042 Uiso 1 1 calc R . .
H6C H 0.9079 0.3063 0.9773 0.042 Uiso 1 1 calc R . .
C7 C 0.9208(3) 0.33323(11) 0.69571(18) 0.0315(5) Uani 1 1 d . . .
H7A H 0.8473 0.3267 0.6270 0.047 Uiso 1 1 calc R . .
H7B H 1.0122 0.3012 0.6929 0.047 Uiso 1 1 calc R . .
H7C H 0.9602 0.3813 0.6982 0.047 Uiso 1 1 calc R . .
C8 C 0.4427(2) 0.41875(11) 0.82484(19) 0.0321(5) Uani 1 1 d . . .
H8A H 0.4300 0.3998 0.9019 0.048 Uiso 1 1 calc R . .
H8B H 0.3378 0.4196 0.7810 0.048 Uiso 1 1 calc R . .
H8C H 0.4857 0.4662 0.8317 0.048 Uiso 1 1 calc R . .
C9 C 0.5700(3) 0.40605(12) 0.64116(18) 0.0354(5) Uani 1 1 d . . .
H9A H 0.6236 0.4514 0.6491 0.053 Uiso 1 1 calc R . .
H9B H 0.4610 0.4123 0.6049 0.053 Uiso 1 1 calc R . .
H9C H 0.6318 0.3755 0.5932 0.053 Uiso 1 1 calc R . .
C10 C 0.9319(2) 0.56421(10) 0.92329(16) 0.0219(4) Uani 1 1 d . . .
C11 C 0.8616(3) 0.59711(11) 0.81014(16) 0.0277(4) Uani 1 1 d . . .
H11A H 0.9504 0.6184 0.7698 0.033 Uiso 1 1 calc R . .
H11B H 0.8131 0.5600 0.7599 0.033 Uiso 1 1 calc R . .
C12 C 0.7349(3) 0.65214(11) 0.82806(17) 0.0300(5) Uani 1 1 d . . .
H12A H 0.6869 0.6683 0.7525 0.036 Uiso 1 1 calc R . .
H12B H 0.7854 0.6926 0.8690 0.036 Uiso 1 1 calc R . .
C13 C 0.6040(2) 0.62184(10) 0.89839(17) 0.0265(4) Uani 1 1 d . . .
H13A H 0.5436 0.5860 0.8520 0.032 Uiso 1 1 calc R . .
H13B H 0.5273 0.6592 0.9158 0.032 Uiso 1 1 calc R . .
C14 C 0.6730(2) 0.58898(10) 1.01212(16) 0.0212(4) Uani 1 1 d . . .
C15 C 1.0333(2) 0.50194(11) 0.89171(18) 0.0291(4) Uani 1 1 d . . .
H15A H 1.0754 0.4783 0.9622 0.044 Uiso 1 1 calc R . .
H15B H 1.1234 0.5179 0.8484 0.044 Uiso 1 1 calc R . .
H15C H 0.9664 0.4695 0.8442 0.044 Uiso 1 1 calc R . .
C16 C 1.0503(2) 0.61633(11) 0.98556(18) 0.0300(5) Uani 1 1 d . . .
H16A H 0.9956 0.6609 0.9951 0.045 Uiso 1 1 calc R . .
H16B H 1.1434 0.6233 0.9396 0.045 Uiso 1 1 calc R . .
H16C H 1.0869 0.5978 1.0614 0.045 Uiso 1 1 calc R . .
C17 C 0.5352(2) 0.55109(10) 1.06652(17) 0.0243(4) Uani 1 1 d . . .
H17A H 0.4925 0.5145 1.0142 0.036 Uiso 1 1 calc R . .
H17B H 0.4492 0.5843 1.0804 0.036 Uiso 1 1 calc R . .
H17C H 0.5755 0.5302 1.1398 0.036 Uiso 1 1 calc R . .
C18 C 0.7233(3) 0.64956(10) 1.09594(17) 0.0277(4) Uani 1 1 d . . .
H18A H 0.7920 0.6314 1.1609 0.042 Uiso 1 1 calc R . .
H18B H 0.6266 0.6708 1.1247 0.042 Uiso 1 1 calc R . .
H18C H 0.7828 0.6847 1.0550 0.042 Uiso 1 1 calc R . .
C19 C 0.6945(3) 0.38784(10) 1.14111(18) 0.0255(4) Uani 1 1 d . . .
C20 C 0.7269(3) 0.31177(11) 1.16929(19) 0.0328(5) Uani 1 1 d . . .
H20A H 0.8444 0.3059 1.1868 0.039 Uiso 1 1 calc R . .
H20B H 0.6967 0.2839 1.0995 0.039 Uiso 1 1 calc R . .
C21 C 0.6401(3) 0.28156(13) 1.2691(2) 0.0476(7) Uani 1 1 d . . .
H21A H 0.6541 0.3139 1.3353 0.057 Uiso 1 1 calc R . .
H21B H 0.5234 0.2792 1.2460 0.057 Uiso 1 1 calc R . .
C22 C 0.6955(4) 0.21073(14) 1.3083(3) 0.0567(7) Uani 1 1 d . . .
H22A H 0.6767 0.1775 1.2448 0.085 Uiso 1 1 calc R . .
H22B H 0.6352 0.1961 1.3736 0.085 Uiso 1 1 calc R . .
H22C H 0.8109 0.2122 1.3320 0.085 Uiso 1 1 calc R . .
C23 C 1.2525(2) 0.44670(10) 1.21353(17) 0.0261(4) Uani 1 1 d . . .
H23A H 1.3661 0.4419 1.2443 0.031 Uiso 1 1 calc R . .
H23B H 1.2511 0.4754 1.1427 0.031 Uiso 1 1 calc R . .
C24 C 1.1840(2) 0.37502(11) 1.18364(18) 0.0291(5) Uani 1 1 d . . .
H24A H 1.2525 0.3517 1.1290 0.035 Uiso 1 1 calc R . .
H24B H 1.0744 0.3800 1.1456 0.035 Uiso 1 1 calc R . .
C25 C 1.1764(3) 0.33045(11) 1.29170(19) 0.0308(5) Uani 1 1 d . . .
H25A H 1.1181 0.2866 1.2721 0.037 Uiso 1 1 calc R . .
H25B H 1.2871 0.3184 1.3221 0.037 Uiso 1 1 calc R . .
C26 C 1.0907(2) 0.36961(10) 1.38313(17) 0.0264(4) Uani 1 1 d . . .
H26A H 1.0954 0.3420 1.4551 0.032 Uiso 1 1 calc R . .
H26B H 0.9758 0.3760 1.3567 0.032 Uiso 1 1 calc R . .
C27 C 1.1681(2) 0.44055(10) 1.40717(15) 0.0223(4) Uani 1 1 d . . .
H27 H 1.2849 0.4320 1.4288 0.027 Uiso 1 1 calc R . .
C28 C 1.1003(2) 0.47905(10) 1.50784(15) 0.0217(4) Uani 1 1 d . . .
H28 H 1.1201 0.4493 1.5780 0.026 Uiso 1 1 calc R . .
C29 C 1.1921(2) 0.54733(10) 1.52992(16) 0.0239(4) Uani 1 1 d . . .
H29A H 1.1540 0.5714 1.5982 0.029 Uiso 1 1 calc R . .
H29B H 1.3092 0.5384 1.5432 0.029 Uiso 1 1 calc R . .
C30 C 1.1572(2) 0.59122(10) 1.42135(15) 0.0218(4) Uani 1 1 d . . .
H30 H 1.2177 0.6360 1.4325 0.026 Uiso 1 1 calc R . .
C31 C 1.2261(2) 0.55278(10) 1.32001(16) 0.0228(4) Uani 1 1 d . . .
H31A H 1.2045 0.5808 1.2492 0.027 Uiso 1 1 calc R . .
H31B H 1.3445 0.5491 1.3347 0.027 Uiso 1 1 calc R . .
C32 C 0.9195(2) 0.49559(10) 1.49518(15) 0.0212(4) Uani 1 1 d . . .
H32A H 0.8588 0.4518 1.4807 0.025 Uiso 1 1 calc R . .
H32B H 0.8865 0.5154 1.5685 0.025 Uiso 1 1 calc R . .
C33 C 0.9768(2) 0.60913(9) 1.40518(16) 0.0212(4) Uani 1 1 d . . .
H33 H 0.9597 0.6318 1.3279 0.025 Uiso 1 1 calc R . .
C34 C 0.9290(2) 0.66299(10) 1.49399(17) 0.0248(4) Uani 1 1 d . . .
H34A H 0.9573 0.6449 1.5725 0.030 Uiso 1 1 calc R . .
H34B H 0.9911 0.7063 1.4843 0.030 Uiso 1 1 calc R . .
C35 C 0.7497(2) 0.67956(10) 1.48167(18) 0.0274(4) Uani 1 1 d . . .
H35A H 0.7225 0.7023 1.4065 0.033 Uiso 1 1 calc R . .
H35B H 0.7222 0.7120 1.5435 0.033 Uiso 1 1 calc R . .
C36 C 0.6532(2) 0.61264(10) 1.48962(17) 0.0254(4) Uani 1 1 d . . .
H36A H 0.5365 0.6229 1.4781 0.030 Uiso 1 1 calc R . .
H36B H 0.6741 0.5916 1.5670 0.030 Uiso 1 1 calc R . .
C37 C 0.7021(2) 0.56175(10) 1.39734(16) 0.0225(4) Uani 1 1 d . . .
H37A H 0.6415 0.5179 1.4053 0.027 Uiso 1 1 calc R . .
H37B H 0.6692 0.5815 1.3207 0.027 Uiso 1 1 calc R . .
H19A H 0.711(3) 0.4124(11) 1.211(2) 0.033(6) Uiso 1 1 d . . .
H19B H 0.566(3) 0.3890(14) 1.123(2) 0.054(7) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Mg1 0.0229(3) 0.0162(3) 0.0186(3) -0.0006(3) 0.0011(2) -0.0005(3)
Na1 0.0228(4) 0.0264(4) 0.0188(4) -0.0017(3) -0.0004(3) 0.0004(3)
N1 0.0221(8) 0.0159(8) 0.0237(8) -0.0022(6) -0.0010(6) 0.0004(6)
N2 0.0217(8) 0.0163(8) 0.0187(8) 0.0017(6) 0.0030(6) -0.0002(6)
N3 0.0214(8) 0.0213(8) 0.0179(8) 0.0030(6) 0.0036(6) 0.0011(6)
N4 0.0200(8) 0.0196(8) 0.0190(8) 0.0015(6) 0.0008(6) -0.0009(6)
C1 0.0258(10) 0.0181(9) 0.0240(10) -0.0017(8) 0.0032(8) 0.0016(8)
C2 0.0349(12) 0.0183(10) 0.0307(11) -0.0014(8) 0.0037(9) 0.0048(8)
C3 0.0374(12) 0.0193(10) 0.0401(12) -0.0074(9) -0.0002(10) -0.0038(9)
C4 0.0257(11) 0.0285(11) 0.0405(13) -0.0080(9) -0.0011(9) -0.0032(8)
C5 0.0246(10) 0.0210(10) 0.0253(10) -0.0024(8) -0.0027(8) 0.0003(8)
C6 0.0298(11) 0.0215(10) 0.0316(11) -0.0021(9) -0.0004(8) 0.0052(8)
C7 0.0348(11) 0.0313(12) 0.0291(11) -0.0017(9) 0.0070(9) 0.0017(9)
C8 0.0261(11) 0.0297(12) 0.0396(12) -0.0096(9) -0.0038(9) 0.0028(8)
C9 0.0383(12) 0.0350(12) 0.0314(12) 0.0036(10) -0.0079(9) 0.0033(10)
C10 0.0254(10) 0.0203(10) 0.0205(9) 0.0005(8) 0.0044(8) -0.0019(8)
C11 0.0374(11) 0.0279(11) 0.0183(9) 0.0014(8) 0.0061(8) -0.0046(9)
C12 0.0448(13) 0.0245(11) 0.0203(10) 0.0052(8) -0.0010(9) 0.0005(9)
C13 0.0324(11) 0.0204(10) 0.0265(10) 0.0027(8) -0.0009(8) 0.0049(8)
C14 0.0245(9) 0.0182(9) 0.0209(9) -0.0009(7) 0.0022(7) 0.0013(8)
C15 0.0284(11) 0.0287(11) 0.0312(11) 0.0003(9) 0.0089(8) -0.0014(9)
C16 0.0309(11) 0.0291(11) 0.0302(11) -0.0001(9) 0.0033(9) -0.0049(9)
C17 0.0247(10) 0.0234(10) 0.0250(10) -0.0015(8) 0.0040(8) 0.0015(8)
C18 0.0350(11) 0.0216(10) 0.0269(10) -0.0042(8) 0.0048(8) 0.0009(9)
C19 0.0329(11) 0.0216(10) 0.0224(11) -0.0001(8) 0.0050(8) -0.0017(8)
C20 0.0304(11) 0.0328(12) 0.0351(13) 0.0053(10) 0.0014(9) -0.0016(9)
C21 0.0440(15) 0.0420(14) 0.0577(17) 0.0198(13) 0.0106(12) 0.0010(11)
C22 0.0572(18) 0.0537(17) 0.0578(17) 0.0193(14) -0.0064(14) -0.0045(14)
C23 0.0222(10) 0.0330(11) 0.0235(10) 0.0003(8) 0.0053(8) 0.0024(8)
C24 0.0268(10) 0.0322(11) 0.0291(11) -0.0036(9) 0.0074(8) 0.0044(9)
C25 0.0313(11) 0.0255(11) 0.0359(12) -0.0006(9) 0.0042(9) 0.0051(9)
C26 0.0302(10) 0.0222(10) 0.0272(11) 0.0032(8) 0.0050(8) 0.0026(8)
C27 0.0202(9) 0.0249(10) 0.0218(9) 0.0043(8) 0.0001(7) 0.0021(8)
C28 0.0260(10) 0.0232(10) 0.0155(9) 0.0068(7) -0.0006(7) 0.0002(8)
C29 0.0244(10) 0.0269(10) 0.0197(9) 0.0014(8) -0.0038(7) 0.0005(8)
C30 0.0226(9) 0.0216(10) 0.0208(9) 0.0015(8) -0.0009(7) -0.0056(8)
C31 0.0186(9) 0.0262(10) 0.0235(10) 0.0037(8) 0.0007(7) -0.0037(8)
C32 0.0262(10) 0.0183(10) 0.0192(9) 0.0020(7) 0.0032(7) -0.0005(8)
C33 0.0243(10) 0.0211(10) 0.0179(9) 0.0033(7) -0.0010(7) -0.0019(8)
C34 0.0286(10) 0.0219(10) 0.0233(10) 0.0002(8) -0.0019(8) -0.0022(8)
C35 0.0330(11) 0.0250(11) 0.0238(10) -0.0032(8) -0.0006(8) 0.0055(9)
C36 0.0229(10) 0.0283(11) 0.0250(10) -0.0008(8) 0.0018(8) 0.0032(8)
C37 0.0212(9) 0.0269(10) 0.0194(9) -0.0019(8) 0.0010(7) -0.0028(8)

_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
Mg1 N1 2.0083(16) . ?
Mg1 N2 2.0898(16) . ?
Mg1 C19 2.197(2) . ?
Mg1 Na1 3.0993(9) . ?
Na1 N3 2.4681(17) . ?
Na1 N2 2.5271(16) . ?
Na1 N4 2.5296(16) . ?
Na1 C19 2.772(2) . ?
Na1 H19A 2.28(2) . ?
N1 C5 1.468(2) . ?
N1 C1 1.469(2) . ?
N2 C10 1.485(2) . ?
N2 C14 1.488(2) . ?
N3 C23 1.477(2) . ?
N3 C31 1.477(2) . ?
N3 C27 1.482(2) . ?
N4 C32 1.477(2) . ?
N4 C37 1.481(2) . ?
N4 C33 1.487(2) . ?
C1 C6 1.530(3) . ?
C1 C2 1.539(3) . ?
C1 C7 1.553(3) . ?
C2 C3 1.523(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.523(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.535(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C8 1.535(3) . ?
C5 C9 1.553(3) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C15 1.523(3) . ?
C10 C11 1.538(3) . ?
C10 C16 1.548(3) . ?
C11 C12 1.517(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.522(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.540(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C17 1.531(3) . ?
C14 C18 1.557(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.518(3) . ?
C19 H19A 0.94(2) . ?
C19 H19B 1.08(3) . ?
C20 C21 1.524(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.497(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.521(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.526(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.520(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.524(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.525(3) . ?
C27 H27 1.0000 . ?
C28 C29 1.530(3) . ?
C28 C32 1.533(3) . ?
C28 H28 1.0000 . ?
C29 C30 1.529(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.535(3) . ?
C30 C33 1.537(3) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.534(3) . ?
C33 H33 1.0000 . ?
C34 C35 1.521(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.522(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.528(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?

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
N1 Mg1 N2 132.44(7) . . ?
N1 Mg1 C19 118.11(8) . . ?
N2 Mg1 C19 109.40(7) . . ?
N1 Mg1 Na1 161.09(5) . . ?
N2 Mg1 Na1 54.15(4) . . ?
C19 Mg1 Na1 60.30(6) . . ?
N3 Na1 N2 133.42(6) . . ?
N3 Na1 N4 72.59(5) . . ?
N2 Na1 N4 138.35(6) . . ?
N3 Na1 C19 120.07(6) . . ?
N2 Na1 C19 82.52(6) . . ?
N4 Na1 C19 114.48(6) . . ?
N3 Na1 Mg1 130.06(5) . . ?
N2 Na1 Mg1 42.09(4) . . ?
N4 Na1 Mg1 152.13(4) . . ?
C19 Na1 Mg1 43.51(4) . . ?
N3 Na1 H19A 116.0(6) . . ?
N2 Na1 H19A 96.9(6) . . ?
N4 Na1 H19A 96.2(6) . . ?
C19 Na1 H19A 18.3(6) . . ?
Mg1 Na1 H19A 61.0(6) . . ?
C5 N1 C1 116.52(14) . . ?
C5 N1 Mg1 119.91(12) . . ?
C1 N1 Mg1 123.06(12) . . ?
C10 N2 C14 114.29(14) . . ?
C10 N2 Mg1 116.29(11) . . ?
C14 N2 Mg1 118.61(11) . . ?
C10 N2 Na1 116.08(11) . . ?
C14 N2 Na1 103.11(10) . . ?
Mg1 N2 Na1 83.76(5) . . ?
C23 N3 C31 108.85(14) . . ?
C23 N3 C27 108.94(15) . . ?
C31 N3 C27 111.40(14) . . ?
C23 N3 Na1 103.58(11) . . ?
C31 N3 Na1 105.16(11) . . ?
C27 N3 Na1 118.35(11) . . ?
C32 N4 C37 110.30(14) . . ?
C32 N4 C33 113.59(14) . . ?
C37 N4 C33 111.59(14) . . ?
C32 N4 Na1 116.90(11) . . ?
C37 N4 Na1 99.39(10) . . ?
C33 N4 Na1 104.15(10) . . ?
N1 C1 C6 107.88(15) . . ?
N1 C1 C2 111.83(15) . . ?
C6 C1 C2 107.22(16) . . ?
N1 C1 C7 114.69(16) . . ?
C6 C1 C7 105.95(16) . . ?
C2 C1 C7 108.84(16) . . ?
C3 C2 C1 112.61(16) . . ?
C3 C2 H2A 109.1 . . ?
C1 C2 H2A 109.1 . . ?
C3 C2 H2B 109.1 . . ?
C1 C2 H2B 109.1 . . ?
H2A C2 H2B 107.8 . . ?
C2 C3 C4 109.05(17) . . ?
C2 C3 H3A 109.9 . . ?
C4 C3 H3A 109.9 . . ?
C2 C3 H3B 109.9 . . ?
C4 C3 H3B 109.9 . . ?
H3A C3 H3B 108.3 . . ?
C3 C4 C5 112.93(17) . . ?
C3 C4 H4A 109.0 . . ?
C5 C4 H4A 109.0 . . ?
C3 C4 H4B 109.0 . . ?
C5 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
N1 C5 C8 107.08(15) . . ?
N1 C5 C4 112.05(16) . . ?
C8 C5 C4 107.28(16) . . ?
N1 C5 C9 114.59(16) . . ?
C8 C5 C9 105.68(16) . . ?
C4 C5 C9 109.67(17) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C7 H7A 109.5 . . ?
C1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C9 H9A 109.5 . . ?
C5 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C5 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C15 107.35(15) . . ?
N2 C10 C11 111.78(15) . . ?
C15 C10 C11 107.47(16) . . ?
N2 C10 C16 114.79(15) . . ?
C15 C10 C16 106.02(16) . . ?
C11 C10 C16 109.02(16) . . ?
C12 C11 C10 113.26(16) . . ?
C12 C11 H11A 108.9 . . ?
C10 C11 H11A 108.9 . . ?
C12 C11 H11B 108.9 . . ?
C10 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 C13 109.69(16) . . ?
C11 C12 H12A 109.7 . . ?
C13 C12 H12A 109.7 . . ?
C11 C12 H12B 109.7 . . ?
C13 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C12 C13 C14 112.36(16) . . ?
C12 C13 H13A 109.1 . . ?
C14 C13 H13A 109.1 . . ?
C12 C13 H13B 109.1 . . ?
C14 C13 H13B 109.1 . . ?
H13A C13 H13B 107.9 . . ?
N2 C14 C17 108.46(15) . . ?
N2 C14 C13 112.52(15) . . ?
C17 C14 C13 107.75(15) . . ?
N2 C14 C18 114.46(15) . . ?
C17 C14 C18 105.84(15) . . ?
C13 C14 C18 107.42(15) . . ?
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 . . ?
C10 C16 H16A 109.5 . . ?
C10 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C10 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 Mg1 122.10(14) . . ?
C20 C19 Na1 127.44(14) . . ?
Mg1 C19 Na1 76.19(6) . . ?
C20 C19 H19A 106.6(13) . . ?
Mg1 C19 H19A 123.0(14) . . ?
Na1 C19 H19A 49.9(13) . . ?
C20 C19 H19B 102.8(14) . . ?
Mg1 C19 H19B 93.1(14) . . ?
Na1 C19 H19B 126.6(14) . . ?
H19A C19 H19B 103.8(19) . . ?
C19 C20 C21 116.41(19) . . ?
C19 C20 H20A 108.2 . . ?
C21 C20 H20A 108.2 . . ?
C19 C20 H20B 108.2 . . ?
C21 C20 H20B 108.2 . . ?
H20A C20 H20B 107.3 . . ?
C22 C21 C20 115.2(2) . . ?
C22 C21 H21A 108.5 . . ?
C20 C21 H21A 108.5 . . ?
C22 C21 H21B 108.5 . . ?
C20 C21 H21B 108.5 . . ?
H21A C21 H21B 107.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N3 C23 C24 111.57(16) . . ?
N3 C23 H23A 109.3 . . ?
C24 C23 H23A 109.3 . . ?
N3 C23 H23B 109.3 . . ?
C24 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C23 C24 C25 110.85(17) . . ?
C23 C24 H24A 109.5 . . ?
C25 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C25 C24 H24B 109.5 . . ?
H24A C24 H24B 108.1 . . ?
C26 C25 C24 110.28(16) . . ?
C26 C25 H25A 109.6 . . ?
C24 C25 H25A 109.6 . . ?
C26 C25 H25B 109.6 . . ?
C24 C25 H25B 109.6 . . ?
H25A C25 H25B 108.1 . . ?
C25 C26 C27 111.00(16) . . ?
C25 C26 H26A 109.4 . . ?
C27 C26 H26A 109.4 . . ?
C25 C26 H26B 109.4 . . ?
C27 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
N3 C27 C26 109.44(15) . . ?
N3 C27 C28 112.69(15) . . ?
C26 C27 C28 113.61(15) . . ?
N3 C27 H27 106.9 . . ?
C26 C27 H27 106.9 . . ?
C28 C27 H27 106.9 . . ?
C27 C28 C29 109.76(15) . . ?
C27 C28 C32 116.01(15) . . ?
C29 C28 C32 108.21(15) . . ?
C27 C28 H28 107.5 . . ?
C29 C28 H28 107.5 . . ?
C32 C28 H28 107.5 . . ?
C30 C29 C28 105.67(14) . . ?
C30 C29 H29A 110.6 . . ?
C28 C29 H29A 110.6 . . ?
C30 C29 H29B 110.6 . . ?
C28 C29 H29B 110.6 . . ?
H29A C29 H29B 108.7 . . ?
C29 C30 C31 108.00(16) . . ?
C29 C30 C33 110.62(15) . . ?
C31 C30 C33 115.25(15) . . ?
C29 C30 H30 107.6 . . ?
C31 C30 H30 107.6 . . ?
C33 C30 H30 107.6 . . ?
N3 C31 C30 114.04(15) . . ?
N3 C31 H31A 108.7 . . ?
C30 C31 H31A 108.7 . . ?
N3 C31 H31B 108.7 . . ?
C30 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
N4 C32 C28 113.02(14) . . ?
N4 C32 H32A 109.0 . . ?
C28 C32 H32A 109.0 . . ?
N4 C32 H32B 109.0 . . ?
C28 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
N4 C33 C34 114.21(15) . . ?
N4 C33 C30 111.11(15) . . ?
C34 C33 C30 111.39(15) . . ?
N4 C33 H33 106.5 . . ?
C34 C33 H33 106.5 . . ?
C30 C33 H33 106.5 . . ?
C35 C34 C33 112.07(16) . . ?
C35 C34 H34A 109.2 . . ?
C33 C34 H34A 109.2 . . ?
C35 C34 H34B 109.2 . . ?
C33 C34 H34B 109.2 . . ?
H34A C34 H34B 107.9 . . ?
C34 C35 C36 109.59(16) . . ?
C34 C35 H35A 109.8 . . ?
C36 C35 H35A 109.8 . . ?
C34 C35 H35B 109.8 . . ?
C36 C35 H35B 109.8 . . ?
H35A C35 H35B 108.2 . . ?
C35 C36 C37 109.30(16) . . ?
C35 C36 H36A 109.8 . . ?
C37 C36 H36A 109.8 . . ?
C35 C36 H36B 109.8 . . ?
C37 C36 H36B 109.8 . . ?
H36A C36 H36B 108.3 . . ?
N4 C37 C36 115.27(15) . . ?
N4 C37 H37A 108.5 . . ?
C36 C37 H37A 108.5 . . ?
N4 C37 H37B 108.5 . . ?
C36 C37 H37B 108.5 . . ?
H37A C37 H37B 107.5 . . ?

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
N1 Mg1 Na1 N3 3.23(19) . . . . ?
N2 Mg1 Na1 N3 -114.13(8) . . . . ?
C19 Mg1 Na1 N3 93.73(9) . . . . ?
N1 Mg1 Na1 N2 117.36(17) . . . . ?
C19 Mg1 Na1 N2 -152.14(8) . . . . ?
N1 Mg1 Na1 N4 -135.72(17) . . . . ?
N2 Mg1 Na1 N4 106.92(11) . . . . ?
C19 Mg1 Na1 N4 -45.22(11) . . . . ?
N1 Mg1 Na1 C19 -90.50(18) . . . . ?
N2 Mg1 Na1 C19 152.14(8) . . . . ?
N2 Mg1 N1 C5 -82.08(15) . . . . ?
C19 Mg1 N1 C5 95.22(14) . . . . ?
Na1 Mg1 N1 C5 175.20(13) . . . . ?
N2 Mg1 N1 C1 106.37(15) . . . . ?
C19 Mg1 N1 C1 -76.34(16) . . . . ?
Na1 Mg1 N1 C1 3.6(3) . . . . ?
N1 Mg1 N2 C10 -40.98(16) . . . . ?
C19 Mg1 N2 C10 141.55(12) . . . . ?
Na1 Mg1 N2 C10 116.06(13) . . . . ?
N1 Mg1 N2 C14 101.40(13) . . . . ?
C19 Mg1 N2 C14 -76.07(13) . . . . ?
Na1 Mg1 N2 C14 -101.56(12) . . . . ?
N1 Mg1 N2 Na1 -157.04(7) . . . . ?
C19 Mg1 N2 Na1 25.49(8) . . . . ?
N3 Na1 N2 C10 -10.35(15) . . . . ?
N4 Na1 N2 C10 106.03(13) . . . . ?
C19 Na1 N2 C10 -135.21(12) . . . . ?
Mg1 Na1 N2 C10 -116.27(13) . . . . ?
N3 Na1 N2 C14 -136.11(11) . . . . ?
N4 Na1 N2 C14 -19.73(14) . . . . ?
C19 Na1 N2 C14 99.04(11) . . . . ?
Mg1 Na1 N2 C14 117.98(12) . . . . ?
N3 Na1 N2 Mg1 105.92(8) . . . . ?
N4 Na1 N2 Mg1 -137.70(7) . . . . ?
C19 Na1 N2 Mg1 -18.94(6) . . . . ?
N2 Na1 N3 C23 -41.36(14) . . . . ?
N4 Na1 N3 C23 177.25(12) . . . . ?
C19 Na1 N3 C23 68.57(13) . . . . ?
Mg1 Na1 N3 C23 16.02(14) . . . . ?
N2 Na1 N3 C31 72.84(13) . . . . ?
N4 Na1 N3 C31 -68.56(11) . . . . ?
C19 Na1 N3 C31 -177.24(11) . . . . ?
Mg1 Na1 N3 C31 130.21(10) . . . . ?
N2 Na1 N3 C27 -162.01(11) . . . . ?
N4 Na1 N3 C27 56.60(12) . . . . ?
C19 Na1 N3 C27 -52.08(14) . . . . ?
Mg1 Na1 N3 C27 -104.63(12) . . . . ?
N3 Na1 N4 C32 -55.70(12) . . . . ?
N2 Na1 N4 C32 167.29(11) . . . . ?
C19 Na1 N4 C32 60.04(13) . . . . ?
Mg1 Na1 N4 C32 92.51(14) . . . . ?
N3 Na1 N4 C37 -174.26(12) . . . . ?
N2 Na1 N4 C37 48.73(14) . . . . ?
C19 Na1 N4 C37 -58.52(12) . . . . ?
Mg1 Na1 N4 C37 -26.05(16) . . . . ?
N3 Na1 N4 C33 70.51(10) . . . . ?
N2 Na1 N4 C33 -66.50(13) . . . . ?
C19 Na1 N4 C33 -173.75(10) . . . . ?
Mg1 Na1 N4 C33 -141.28(10) . . . . ?
C5 N1 C1 C6 -166.34(16) . . . . ?
Mg1 N1 C1 C6 5.5(2) . . . . ?
C5 N1 C1 C2 -48.7(2) . . . . ?
Mg1 N1 C1 C2 123.15(14) . . . . ?
C5 N1 C1 C7 75.9(2) . . . . ?
Mg1 N1 C1 C7 -112.30(16) . . . . ?
N1 C1 C2 C3 51.8(2) . . . . ?
C6 C1 C2 C3 169.88(17) . . . . ?
C7 C1 C2 C3 -75.9(2) . . . . ?
C1 C2 C3 C4 -54.8(2) . . . . ?
C2 C3 C4 C5 54.5(2) . . . . ?
C1 N1 C5 C8 165.67(16) . . . . ?
Mg1 N1 C5 C8 -6.4(2) . . . . ?
C1 N1 C5 C4 48.3(2) . . . . ?
Mg1 N1 C5 C4 -123.79(15) . . . . ?
C1 N1 C5 C9 -77.5(2) . . . . ?
Mg1 N1 C5 C9 110.43(16) . . . . ?
C3 C4 C5 N1 -51.1(2) . . . . ?
C3 C4 C5 C8 -168.33(18) . . . . ?
C3 C4 C5 C9 77.3(2) . . . . ?
C14 N2 C10 C15 -167.78(15) . . . . ?
Mg1 N2 C10 C15 -23.79(18) . . . . ?
Na1 N2 C10 C15 72.35(16) . . . . ?
C14 N2 C10 C11 -50.2(2) . . . . ?
Mg1 N2 C10 C11 93.82(16) . . . . ?
Na1 N2 C10 C11 -170.04(12) . . . . ?
C14 N2 C10 C16 74.66(19) . . . . ?
Mg1 N2 C10 C16 -141.35(14) . . . . ?
Na1 N2 C10 C16 -45.21(18) . . . . ?
N2 C10 C11 C12 52.5(2) . . . . ?
C15 C10 C11 C12 170.07(17) . . . . ?
C16 C10 C11 C12 -75.4(2) . . . . ?
C10 C11 C12 C13 -54.1(2) . . . . ?
C11 C12 C13 C14 53.6(2) . . . . ?
C10 N2 C14 C17 169.59(15) . . . . ?
Mg1 N2 C14 C17 26.49(18) . . . . ?
Na1 N2 C14 C17 -63.51(14) . . . . ?
C10 N2 C14 C13 50.5(2) . . . . ?
Mg1 N2 C14 C13 -92.60(16) . . . . ?
Na1 N2 C14 C13 177.40(13) . . . . ?
C10 N2 C14 C18 -72.50(19) . . . . ?
Mg1 N2 C14 C18 144.40(13) . . . . ?
Na1 N2 C14 C18 54.40(16) . . . . ?
C12 C13 C14 N2 -52.3(2) . . . . ?
C12 C13 C14 C17 -171.78(16) . . . . ?
C12 C13 C14 C18 74.6(2) . . . . ?
N1 Mg1 C19 C20 32.6(2) . . . . ?
N2 Mg1 C19 C20 -149.47(16) . . . . ?
Na1 Mg1 C19 C20 -125.79(18) . . . . ?
N1 Mg1 C19 Na1 158.44(6) . . . . ?
N2 Mg1 C19 Na1 -23.68(7) . . . . ?
N3 Na1 C19 C20 2.00(19) . . . . ?
N2 Na1 C19 C20 138.48(17) . . . . ?
N4 Na1 C19 C20 -81.32(18) . . . . ?
Mg1 Na1 C19 C20 120.06(19) . . . . ?
N3 Na1 C19 Mg1 -118.06(6) . . . . ?
N2 Na1 C19 Mg1 18.42(6) . . . . ?
N4 Na1 C19 Mg1 158.62(5) . . . . ?
Mg1 C19 C20 C21 -160.37(17) . . . . ?
Na1 C19 C20 C21 102.4(2) . . . . ?
C19 C20 C21 C22 -169.8(2) . . . . ?
C31 N3 C23 C24 -176.87(15) . . . . ?
C27 N3 C23 C24 61.47(19) . . . . ?
Na1 N3 C23 C24 -65.36(16) . . . . ?
N3 C23 C24 C25 -56.2(2) . . . . ?
C23 C24 C25 C26 51.6(2) . . . . ?
C24 C25 C26 C27 -53.9(2) . . . . ?
C23 N3 C27 C26 -62.55(18) . . . . ?
C31 N3 C27 C26 177.35(14) . . . . ?
Na1 N3 C27 C26 55.31(17) . . . . ?
C23 N3 C27 C28 170.00(15) . . . . ?
C31 N3 C27 C28 49.90(19) . . . . ?
Na1 N3 C27 C28 -72.14(17) . . . . ?
C25 C26 C27 N3 59.8(2) . . . . ?
C25 C26 C27 C28 -173.31(16) . . . . ?
N3 C27 C28 C29 -58.21(19) . . . . ?
C26 C27 C28 C29 176.57(15) . . . . ?
N3 C27 C28 C32 64.8(2) . . . . ?
C26 C27 C28 C32 -60.4(2) . . . . ?
C27 C28 C29 C30 63.90(19) . . . . ?
C32 C28 C29 C30 -63.60(18) . . . . ?
C28 C29 C30 C31 -62.96(18) . . . . ?
C28 C29 C30 C33 64.02(19) . . . . ?
C23 N3 C31 C30 -171.00(15) . . . . ?
C27 N3 C31 C30 -50.9(2) . . . . ?
Na1 N3 C31 C30 78.54(15) . . . . ?
C29 C30 C31 N3 58.66(19) . . . . ?
C33 C30 C31 N3 -65.6(2) . . . . ?
C37 N4 C32 C28 -176.92(15) . . . . ?
C33 N4 C32 C28 -50.8(2) . . . . ?
Na1 N4 C32 C28 70.58(17) . . . . ?
C27 C28 C32 N4 -65.3(2) . . . . ?
C29 C28 C32 N4 58.55(19) . . . . ?
C32 N4 C33 C34 -78.31(19) . . . . ?
C37 N4 C33 C34 47.13(19) . . . . ?
Na1 N4 C33 C34 153.43(12) . . . . ?
C32 N4 C33 C30 48.7(2) . . . . ?
C37 N4 C33 C30 174.15(14) . . . . ?
Na1 N4 C33 C30 -79.54(14) . . . . ?
C29 C30 C33 N4 -56.6(2) . . . . ?
C31 C30 C33 N4 66.3(2) . . . . ?
C29 C30 C33 C34 72.00(19) . . . . ?
C31 C30 C33 C34 -165.14(16) . . . . ?
N4 C33 C34 C35 -51.3(2) . . . . ?
C30 C33 C34 C35 -178.14(16) . . . . ?
C33 C34 C35 C36 55.7(2) . . . . ?
C34 C35 C36 C37 -56.9(2) . . . . ?
C32 N4 C37 C36 76.68(19) . . . . ?
C33 N4 C37 C36 -50.6(2) . . . . ?
Na1 N4 C37 C36 -159.95(14) . . . . ?
C35 C36 C37 N4 56.1(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.285
_refine_diff_density_rms         0.040

#===END