#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:27:37 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178900 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/29/4112947.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_4112947
loop_
_publ_author_name
'Prokopis C. Andrikopoulos'
'David R. Armstrong'
'William Clegg'
'Carly J. Gilfillan'
'Eva Hevia'
'Alan R. Kennedy'
'Robert E. Mulvey'
'Charles T. O'Hara'
'John A. Parkinson'
'Duncan M. Tooke'
_publ_section_title
;
 A Homologous Series of Regioselectively Tetradeprotonated Group 8
 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed
 Sodium-Magnesium Tris(diisopropylamide) Synergic Base
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11612
_journal_page_last               11620
_journal_paper_doi               10.1021/ja0472230
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C58 H118 Mg4 N8 Na4 Ru'
_chemical_formula_sum            'C58 H118 Mg4 N8 Na4 Ru'
_chemical_formula_weight         1217.87
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.288(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.1677(5)
_cell_length_b                   15.1615(6)
_cell_length_c                   16.1872(6)
_cell_measurement_reflns_used    8004
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      2.91
_cell_volume                     3526.3(2)
_computing_cell_refinement       'HKL DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'HKL DENZO and SCALEPACK'
_computing_publication_material  'SHELXL97 and WinGX'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0783
_diffrn_reflns_av_sigmaI/netI    0.1062
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15032
_diffrn_reflns_theta_full        27.19
_diffrn_reflns_theta_max         27.19
_diffrn_reflns_theta_min         2.95
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.321
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_description       'irregular fragment'
_exptl_crystal_F_000             1316
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.632
_refine_diff_density_min         -0.865
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         7790
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.1136
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0400P)²+1.3074P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.1103
_reflns_number_gt                4791
_reflns_number_total             7790
_reflns_threshold_expression     II>2σ(I)
_cod_data_source_file            ja0472230si20040712_113051_2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4112947
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.0000 0.5000 0.0000 0.01833(10) Uani 1 2 d S
Na1 Na 0.06526(8) 0.49432(8) -0.16096(8) 0.0270(3) Uani 1 1 d .
Na2 Na 0.29767(8) 0.45988(8) 0.21570(8) 0.0304(3) Uani 1 1 d .
Mg1 Mg 0.25199(7) 0.42612(7) -0.00552(7) 0.0236(3) Uani 1 1 d .
Mg2 Mg -0.13572(7) 0.56549(7) -0.28327(7) 0.0237(3) Uani 1 1 d .
N1 N 0.27752(17) 0.43905(16) 0.35930(16) 0.0231(6) Uani 1 1 d .
N2 N 0.37335(17) 0.43114(16) 0.11563(17) 0.0232(6) Uani 1 1 d .
N3 N -0.02065(17) 0.60305(17) -0.29235(17) 0.0261(6) Uani 1 1 d .
N4 N 0.20865(17) 0.38351(17) -0.13558(17) 0.0263(6) Uani 1 1 d .
C1 C 0.2877(2) 0.6005(2) 0.3608(2) 0.0412(10) Uani 1 1 d .
H1A H 0.2861 0.5995 0.2996 0.062 Uiso 1 1 calc R
H1B H 0.3245 0.6510 0.3964 0.062 Uiso 1 1 calc R
H1C H 0.2241 0.6055 0.3531 0.062 Uiso 1 1 calc R
C2 C 0.3315(2) 0.5157(2) 0.4124(2) 0.0294(8) Uani 1 1 d .
H2 H 0.3952 0.5112 0.4170 0.035 Uiso 1 1 calc R
C3 C 0.3427(3) 0.5217(2) 0.5113(2) 0.0454(10) Uani 1 1 d .
H3A H 0.2811 0.5252 0.5090 0.068 Uiso 1 1 calc R
H3B H 0.3787 0.5745 0.5418 0.068 Uiso 1 1 calc R
H3C H 0.3753 0.4692 0.5464 0.068 Uiso 1 1 calc R
C4 C 0.4168(2) 0.3389(2) 0.4160(2) 0.0396(9) Uani 1 1 d .
H4A H 0.4157 0.3383 0.3550 0.059 Uiso 1 1 calc R
H4B H 0.4398 0.2821 0.4469 0.059 Uiso 1 1 calc R
H4C H 0.4579 0.3862 0.4540 0.059 Uiso 1 1 calc R
C5 C 0.3178(2) 0.3547(2) 0.4035(2) 0.0279(8) Uani 1 1 d .
H5 H 0.3200 0.3535 0.4663 0.034 Uiso 1 1 calc R
C6 C 0.2542(2) 0.2810(2) 0.3456(2) 0.0347(9) Uani 1 1 d .
H6A H 0.1943 0.2854 0.3468 0.052 Uiso 1 1 calc R
H6B H 0.2830 0.2239 0.3712 0.052 Uiso 1 1 calc R
H6C H 0.2443 0.2860 0.2813 0.052 Uiso 1 1 calc R
C7 C 0.3701(2) 0.5921(2) 0.0953(2) 0.0368(9) Uani 1 1 d .
H7A H 0.3294 0.5845 0.0286 0.055 Uiso 1 1 calc R
H7B H 0.4092 0.6444 0.1053 0.055 Uiso 1 1 calc R
H7C H 0.3320 0.5996 0.1275 0.055 Uiso 1 1 calc R
C8 C 0.4316(2) 0.5111(2) 0.1331(2) 0.0253(7) Uani 1 1 d .
H8 H 0.4691 0.5045 0.0987 0.030 Uiso 1 1 calc R
C9 C 0.4993(2) 0.5263(2) 0.2360(2) 0.0406(10) Uani 1 1 d .
H9A H 0.4640 0.5351 0.2710 0.061 Uiso 1 1 calc R
H9B H 0.5372 0.5786 0.2421 0.061 Uiso 1 1 calc R
H9C H 0.5399 0.4747 0.2606 0.061 Uiso 1 1 calc R
C10 C 0.3686(2) 0.2725(2) 0.1381(2) 0.0375(9) Uani 1 1 d .
H10A H 0.3423 0.2841 0.1808 0.056 Uiso 1 1 calc R
H10B H 0.4063 0.2186 0.1574 0.056 Uiso 1 1 calc R
H10C H 0.3181 0.2648 0.0749 0.056 Uiso 1 1 calc R
C11 C 0.4294(2) 0.3497(2) 0.1398(2) 0.0285(8) Uani 1 1 d .
H11 H 0.4807 0.3561 0.2047 0.034 Uiso 1 1 calc R
C12 C 0.4732(2) 0.3286(2) 0.0759(3) 0.0433(10) Uani 1 1 d .
H12A H 0.4240 0.3195 0.0124 0.065 Uiso 1 1 calc R
H12B H 0.5110 0.2750 0.0978 0.065 Uiso 1 1 calc R
H12C H 0.5128 0.3779 0.0767 0.065 Uiso 1 1 calc R
C13 C -0.0804(3) 0.6405(3) -0.4612(2) 0.0546(12) Uani 1 1 d .
H13A H -0.1454 0.6345 -0.4736 0.082 Uiso 1 1 calc R
H13B H -0.0745 0.6233 -0.5166 0.082 Uiso 1 1 calc R
H13C H -0.0606 0.7020 -0.4455 0.082 Uiso 1 1 calc R
C14 C -0.0188(2) 0.5807(2) -0.3797(2) 0.0333(8) Uani 1 1 d .
H14 H 0.0468 0.5857 -0.3698 0.040 Uiso 1 1 calc R
C15 C -0.0500(2) 0.4853(2) -0.4037(2) 0.0434(10) Uani 1 1 d .
H15A H -0.0081 0.4466 -0.3534 0.065 Uiso 1 1 calc R
H15B H -0.0485 0.4689 -0.4616 0.065 Uiso 1 1 calc R
H15C H -0.1136 0.4788 -0.4117 0.065 Uiso 1 1 calc R
C16 C 0.1355(2) 0.6765(3) -0.2050(3) 0.0496(11) Uani 1 1 d .
H16A H 0.1556 0.6403 -0.1490 0.074 Uiso 1 1 calc R
H16B H 0.1644 0.7349 -0.1880 0.074 Uiso 1 1 calc R
H16C H 0.1542 0.6482 -0.2482 0.074 Uiso 1 1 calc R
C17 C 0.0286(2) 0.6864(2) -0.2521(2) 0.0332(9) Uani 1 1 d .
H17 H 0.0102 0.7309 -0.3031 0.040 Uiso 1 1 calc R
C18 C 0.0009(2) 0.7214(2) -0.1801(2) 0.0354(9) Uani 1 1 d .
H18A H -0.0646 0.7394 -0.2111 0.053 Uiso 1 1 calc R
H18B H 0.0399 0.7723 -0.1483 0.053 Uiso 1 1 calc R
H18C H 0.0096 0.6750 -0.1347 0.053 Uiso 1 1 calc R
C19 C 0.2101(3) 0.4172(3) -0.2867(2) 0.0477(10) Uani 1 1 d .
H19A H 0.1763 0.3628 -0.3152 0.072 Uiso 1 1 calc R
H19B H 0.2527 0.4314 -0.3125 0.072 Uiso 1 1 calc R
H19C H 0.1656 0.4657 -0.2997 0.072 Uiso 1 1 calc R
C20 C 0.2658(2) 0.4045(2) -0.1813(2) 0.0316(8) Uani 1 1 d .
H20 H 0.3105 0.3548 -0.1696 0.038 Uiso 1 1 calc R
C21 C 0.3219(2) 0.4878(2) -0.1377(2) 0.0388(9) Uani 1 1 d .
H21A H 0.2794 0.5363 -0.1441 0.058 Uiso 1 1 calc R
H21B H 0.3590 0.5033 -0.1695 0.058 Uiso 1 1 calc R
H21C H 0.3634 0.4772 -0.0717 0.058 Uiso 1 1 calc R
C22 C 0.1046(2) 0.2805(2) -0.1115(2) 0.0373(9) Uani 1 1 d .
H22A H 0.1507 0.2651 -0.0481 0.056 Uiso 1 1 calc R
H22B H 0.0621 0.2307 -0.1392 0.056 Uiso 1 1 calc R
H22C H 0.0692 0.3323 -0.1097 0.056 Uiso 1 1 calc R
C23 C 0.1540(2) 0.3010(2) -0.1694(2) 0.0325(8) Uani 1 1 d .
H23 H 0.1054 0.3111 -0.2349 0.039 Uiso 1 1 calc R
C24 C 0.2113(3) 0.2208(2) -0.1689(3) 0.0527(11) Uani 1 1 d .
H24A H 0.2348 0.2295 -0.2144 0.079 Uiso 1 1 calc R
H24B H 0.1721 0.1680 -0.1852 0.079 Uiso 1 1 calc R
H24C H 0.2638 0.2136 -0.1068 0.079 Uiso 1 1 calc R
C25 C 0.1292(2) 0.5723(2) 0.0424(2) 0.0221(7) Uani 1 1 d .
C26 C 0.1046(2) 0.5754(2) 0.1160(2) 0.0214(7) Uani 1 1 d .
C27 C 0.1028(2) 0.4882(2) 0.1498(2) 0.0237(7) Uani 1 1 d .
C28 C 0.1275(2) 0.4342(2) 0.0898(2) 0.0236(7) Uani 1 1 d .
C29 C 0.14665(19) 0.48373(19) 0.0237(2) 0.0207(7) Uani 1 1 d .
H25 H 0.1342(19) 0.6194(19) 0.0113(19) 0.023(9) Uiso 1 1 d .
H26 H 0.0900(17) 0.6275(17) 0.1407(17) 0.010(7) Uiso 1 1 d .
H28 H 0.1323(17) 0.3708(18) 0.0926(17) 0.010(7) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru Ru -1.2594 0.8363 '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'
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'
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'
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
Na1 Ru1 Na1 180.0 . 3_565
Na1 Ru1 C25 69.26(9) . .
Na1 Ru1 C25 69.26(9) 3_565 3_565
Na1 Ru1 C25 110.74(9) 3_565 .
Na1 Ru1 C25 110.74(9) . 3_565
Na1 Ru1 C26 107.26(9) . .
Na1 Ru1 C26 107.26(9) 3_565 3_565
Na1 Ru1 C26 72.74(9) 3_565 .
Na1 Ru1 C26 72.74(9) . 3_565
Na1 Ru1 C27 121.21(8) . .
Na1 Ru1 C27 121.21(8) 3_565 3_565
Na1 Ru1 C27 58.79(8) 3_565 .
Na1 Ru1 C27 58.79(8) . 3_565
Na1 Ru1 C28 88.10(9) . .
Na1 Ru1 C28 88.10(9) 3_565 3_565
Na1 Ru1 C28 91.90(9) 3_565 .
Na1 Ru1 C28 91.90(9) . 3_565
Na1 Ru1 C29 54.69(8) . .
Na1 Ru1 C29 54.69(8) 3_565 3_565
Na1 Ru1 C29 125.31(8) 3_565 .
Na1 Ru1 C29 125.31(8) . 3_565
C25 Ru1 C25 180.0 . 3_565
C25 Ru1 C26 38.01(11) . .
C25 Ru1 C26 38.01(11) 3_565 3_565
C25 Ru1 C26 141.99(11) . 3_565
C25 Ru1 C26 141.99(11) 3_565 .
C25 Ru1 C27 64.40(12) . .
C25 Ru1 C27 64.40(12) 3_565 3_565
C25 Ru1 C27 115.60(12) . 3_565
C25 Ru1 C27 115.60(12) 3_565 .
C25 Ru1 C28 62.32(12) . .
C25 Ru1 C28 62.32(12) 3_565 3_565
C25 Ru1 C28 117.68(12) 3_565 .
C25 Ru1 C28 117.68(12) . 3_565
C25 Ru1 C29 37.92(11) . .
C25 Ru1 C29 37.92(11) 3_565 3_565
C25 Ru1 C29 142.08(11) . 3_565
C25 Ru1 C29 142.08(11) 3_565 .
C26 Ru1 C26 180.0(2) . 3_565
C26 Ru1 C27 37.90(10) . .
C26 Ru1 C27 37.90(10) 3_565 3_565
C26 Ru1 C27 142.10(10) . 3_565
C26 Ru1 C27 142.10(10) 3_565 .
C26 Ru1 C28 62.41(12) . .
C26 Ru1 C28 62.41(12) 3_565 3_565
C26 Ru1 C28 117.59(12) 3_565 .
C26 Ru1 C28 117.59(12) . 3_565
C26 Ru1 C29 64.44(11) . .
C26 Ru1 C29 64.44(11) 3_565 3_565
C26 Ru1 C29 115.56(11) . 3_565
C26 Ru1 C29 115.56(11) 3_565 .
C27 Ru1 C27 180.00(16) . 3_565
C27 Ru1 C28 38.84(11) . .
C27 Ru1 C28 38.84(11) 3_565 3_565
C27 Ru1 C28 141.16(11) 3_565 .
C27 Ru1 C28 141.16(11) . 3_565
C27 Ru1 C29 66.52(11) . .
C27 Ru1 C29 66.52(11) 3_565 3_565
C27 Ru1 C29 113.48(11) . 3_565
C27 Ru1 C29 113.48(11) 3_565 .
C28 Ru1 C28 180.00(16) . 3_565
C28 Ru1 C29 38.67(11) . .
C28 Ru1 C29 38.67(11) 3_565 3_565
C28 Ru1 C29 141.33(11) . 3_565
C28 Ru1 C29 141.33(11) 3_565 .
C29 Ru1 C29 180.0(2) . 3_565
Ru1 Na1 Mg1 84.87(3) . .
Ru1 Na1 Mg2 82.67(3) . .
Ru1 Na1 N3 113.73(7) . .
Ru1 Na1 N4 117.56(7) . .
Ru1 Na1 C27 42.62(6) . 3_565
Ru1 Na1 C29 43.27(6) . .
Mg1 Na1 Mg2 167.53(5) . .
Mg1 Na1 N3 148.58(8) . .
Mg1 Na1 N4 39.50(6) . .
Mg1 Na1 C27 126.16(7) . 3_565
Mg1 Na1 C29 43.11(7) . .
Mg2 Na1 N3 40.05(6) . .
Mg2 Na1 N4 150.59(7) . .
Mg2 Na1 C27 41.76(6) . 3_565
Mg2 Na1 C29 124.62(8) . .
N3 Na1 N4 128.61(9) . .
N3 Na1 C27 79.62(9) . 3_565
N3 Na1 C29 141.07(10) . .
N4 Na1 C27 145.43(9) . 3_565
N4 Na1 C29 81.12(9) . .
C27 Na1 C29 85.89(9) 3_565 .
Mg1 Na2 Mg2 121.25(4) . 3_565
Mg1 Na2 N1 155.86(8) . .
Mg1 Na2 N2 37.43(6) . .
Mg1 Na2 C2 172.63(7) . .
Mg1 Na2 C8 55.65(6) . .
Mg1 Na2 C27 87.63(7) . .
Mg1 Na2 C28 60.18(8) . .
Mg1 Na2 C29 39.24(6) . .
Mg2 Na2 N1 38.44(6) 3_565 .
Mg2 Na2 N2 154.73(8) 3_565 .
Mg2 Na2 C2 58.77(7) 3_565 .
Mg2 Na2 C8 170.40(7) 3_565 .
Mg2 Na2 C27 39.88(6) 3_565 .
Mg2 Na2 C28 61.60(8) 3_565 .
Mg2 Na2 C29 87.96(7) 3_565 .
N1 Na2 N2 153.71(9) . .
N1 Na2 C2 28.07(8) . .
N1 Na2 C8 146.95(9) . .
N1 Na2 C27 77.05(9) . .
N1 Na2 C28 99.61(10) . .
N1 Na2 C29 126.28(9) . .
N2 Na2 C2 144.59(10) . .
N2 Na2 C8 27.75(8) . .
N2 Na2 C27 124.96(9) . .
N2 Na2 C28 97.13(10) . .
N2 Na2 C29 75.64(9) . .
C2 Na2 C8 122.92(9) . .
C2 Na2 C27 89.29(9) . .
C2 Na2 C28 118.22(10) . .
C2 Na2 C29 135.89(9) . .
C8 Na2 C27 131.72(9) . .
C8 Na2 C28 113.29(10) . .
C8 Na2 C29 85.42(8) . .
C27 Na2 C28 30.53(9) . .
C27 Na2 C29 49.71(9) . .
C28 Na2 C29 29.34(9) . .
Na1 Mg1 Na2 118.29(4) . .
Na1 Mg1 N2 156.78(9) . .
Na1 Mg1 N4 60.67(8) . .
Na1 Mg1 C29 57.75(8) . .
Na2 Mg1 N2 47.44(8) . .
Na2 Mg1 N4 167.40(9) . .
Na2 Mg1 C29 60.76(8) . .
N2 Mg1 N4 137.94(11) . .
N2 Mg1 C29 106.44(11) . .
N4 Mg1 C29 115.62(11) . .
Na1 Mg2 Na2 120.29(4) . 3_565
Na1 Mg2 N1 157.40(9) . 3_565
Na1 Mg2 N3 54.29(8) . .
Na1 Mg2 C27 61.49(9) . 3_565
Na2 Mg2 N1 49.70(7) 3_565 3_565
Na2 Mg2 N3 163.66(9) 3_565 .
Na2 Mg2 C27 59.07(9) 3_565 3_565
N1 Mg2 N3 141.54(11) 3_565 .
N1 Mg2 C27 106.63(11) 3_565 3_565
N3 Mg2 C27 111.83(11) . 3_565
Na2 N1 Mg2 91.87(9) . 3_565
Na2 N1 C2 98.51(18) . .
Na2 N1 C5 110.20(19) . .
Mg2 N1 C2 125.37(19) 3_565 .
Mg2 N1 C5 112.89(19) 3_565 .
C2 N1 C5 113.1(2) . .
Na2 N2 Mg1 95.13(10) . .
Na2 N2 C8 101.09(17) . .
Na2 N2 C11 113.68(19) . .
Mg1 N2 C8 117.45(18) . .
Mg1 N2 C11 115.27(19) . .
C8 N2 C11 112.0(2) . .
Na1 N3 Mg2 85.65(9) . .
Na1 N3 C14 114.30(19) . .
Na1 N3 C17 102.04(18) . .
Mg2 N3 C14 115.6(2) . .
Mg2 N3 C17 122.6(2) . .
C14 N3 C17 112.2(3) . .
Na1 N4 Mg1 79.83(9) . .
Na1 N4 C20 118.7(2) . .
Na1 N4 C23 98.15(18) . .
Mg1 N4 C20 117.82(19) . .
Mg1 N4 C23 121.6(2) . .
C20 N4 C23 113.9(2) . .
H1A C1 H1B 109.5 . .
H1A C1 H1C 109.5 . .
H1A C1 C2 109.5 . .
H1B C1 H1C 109.5 . .
H1B C1 C2 109.5 . .
H1C C1 C2 109.5 . .
Na2 C2 N1 53.42(14) . .
Na2 C2 C1 81.22(19) . .
Na2 C2 H2 75.3 . .
Na2 C2 C3 167.1(2) . .
N1 C2 C1 110.2(3) . .
N1 C2 H2 107.7 . .
N1 C2 C3 114.4(3) . .
C1 C2 H2 107.7 . .
C1 C2 C3 109.1(3) . .
H2 C2 C3 107.7 . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4A C4 C5 109.5 . .
H4B C4 H4C 109.5 . .
H4B C4 C5 109.5 . .
H4C C4 C5 109.5 . .
N1 C5 C4 113.8(3) . .
N1 C5 H5 108.3 . .
N1 C5 C6 108.5(2) . .
C4 C5 H5 108.3 . .
C4 C5 C6 109.6(3) . .
H5 C5 C6 108.3 . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6B 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7A C7 C8 109.5 . .
H7B C7 H7C 109.5 . .
H7B C7 C8 109.5 . .
H7C C7 C8 109.5 . .
Na2 C8 N2 51.16(14) . .
Na2 C8 C7 85.41(19) . .
Na2 C8 H8 158.8 . .
Na2 C8 C9 82.08(19) . .
N2 C8 C7 110.1(2) . .
N2 C8 H8 107.9 . .
N2 C8 C9 113.9(3) . .
C7 C8 H8 107.9 . .
C7 C8 C9 109.0(3) . .
H8 C8 C9 107.9 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10A C10 C11 109.5 . .
H10B C10 H10C 109.5 . .
H10B C10 C11 109.5 . .
H10C C10 C11 109.5 . .
N2 C11 C10 109.1(3) . .
N2 C11 H11 108.1 . .
N2 C11 C12 114.4(3) . .
C10 C11 H11 108.1 . .
C10 C11 C12 108.8(3) . .
H11 C11 C12 108.1 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13A C13 C14 109.5 . .
H13B C13 H13C 109.5 . .
H13B C13 C14 109.5 . .
H13C C13 C14 109.5 . .
N3 C14 C13 113.6(3) . .
N3 C14 H14 108.4 . .
N3 C14 C15 108.4(3) . .
C13 C14 H14 108.4 . .
C13 C14 C15 109.5(3) . .
H14 C14 C15 108.4 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16A C16 C17 109.5 . .
H16B C16 H16C 109.5 . .
H16B C16 C17 109.5 . .
H16C C16 C17 109.5 . .
N3 C17 C16 112.9(3) . .
N3 C17 H17 108.4 . .
N3 C17 C18 110.3(3) . .
C16 C17 H17 108.4 . .
C16 C17 C18 108.2(3) . .
H17 C17 C18 108.4 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19A C19 C20 109.5 . .
H19B C19 H19C 109.5 . .
H19B C19 C20 109.5 . .
H19C C19 C20 109.5 . .
N4 C20 C19 114.0(3) . .
N4 C20 H20 108.1 . .
N4 C20 C21 109.0(3) . .
C19 C20 H20 108.1 . .
C19 C20 C21 109.3(3) . .
H20 C20 C21 108.1 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22A C22 C23 109.5 . .
H22B C22 H22C 109.5 . .
H22B C22 C23 109.5 . .
H22C C22 C23 109.5 . .
N4 C23 C22 109.8(3) . .
N4 C23 H23 107.9 . .
N4 C23 C24 114.3(3) . .
C22 C23 H23 107.9 . .
C22 C23 C24 108.9(3) . .
H23 C23 C24 107.9 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Ru1 C25 C26 71.51(18) . .
Ru1 C25 C29 73.39(17) . .
Ru1 C25 H25 123.0(18) . .
C26 C25 C29 111.5(3) . .
C26 C25 H25 125.2(19) . .
C29 C25 H25 123.3(19) . .
Ru1 C26 C25 70.48(17) . .
Ru1 C26 C27 72.72(16) . .
Ru1 C26 H26 123.1(15) . .
C25 C26 C27 110.6(3) . .
C25 C26 H26 126.3(15) . .
C27 C26 H26 123.1(15) . .
Ru1 C27 Na1 78.59(9) . 3_565
Ru1 C27 Na2 124.24(13) . .
Ru1 C27 Mg2 147.74(15) . 3_565
Ru1 C27 C26 69.38(16) . .
Ru1 C27 C28 67.46(16) . .
Na1 C27 Na2 157.03(12) 3_565 .
Na1 C27 Mg2 76.75(10) 3_565 3_565
Na1 C27 C26 97.25(19) 3_565 .
Na1 C27 C28 131.4(2) 3_565 .
Na2 C27 Mg2 81.05(10) . 3_565
Na2 C27 C26 93.99(18) . .
Na2 C27 C28 64.74(16) . .
Mg2 C27 C26 134.2(2) 3_565 .
Mg2 C27 C28 116.2(2) 3_565 .
C26 C27 C28 101.8(3) . .
Ru1 C28 Na2 143.63(16) . .
Ru1 C28 C27 73.70(17) . .
Ru1 C28 C29 73.95(17) . .
Ru1 C28 H28 121.8(15) . .
Na2 C28 C27 84.73(17) . .
Na2 C28 C29 89.63(18) . .
Na2 C28 H28 94.5(15) . .
C27 C28 C29 114.6(3) . .
C27 C28 H28 124.7(16) . .
C29 C28 H28 120.7(16) . .
Ru1 C29 Na1 82.04(9) . .
Ru1 C29 Na2 119.46(12) . .
Ru1 C29 Mg1 153.12(14) . .
Ru1 C29 C25 68.69(17) . .
Ru1 C29 C28 67.38(16) . .
Na1 C29 Na2 158.43(12) . .
Na1 C29 Mg1 79.14(10) . .
Na1 C29 C25 97.86(18) . .
Na1 C29 C28 134.1(2) . .
Na2 C29 Mg1 80.00(9) . .
Na2 C29 C25 92.29(17) . .
Na2 C29 C28 61.03(15) . .
Mg1 C29 C25 132.8(2) . .
Mg1 C29 C28 114.2(2) . .
C25 C29 C28 101.5(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Na1 3.2296(12) .
Ru1 Na1 3.2296(12) 3_565
Ru1 C25 2.173(3) .
Ru1 C25 2.173(3) 3_565
Ru1 C26 2.187(3) .
Ru1 C26 2.187(3) 3_565
Ru1 C27 2.231(3) .
Ru1 C27 2.231(3) 3_565
Ru1 C28 2.147(3) .
Ru1 C28 2.147(3) 3_565
Ru1 C29 2.235(3) .
Ru1 C29 2.235(3) 3_565
Na1 Mg1 3.0902(15) .
Na1 Mg2 3.1214(15) .
Na1 N3 2.542(3) .
Na1 N4 2.737(3) .
Na1 C27 2.818(3) 3_565
Na1 C29 2.661(3) .
Na2 Mg1 3.3474(16) .
Na2 Mg2 3.2904(17) 3_565
Na2 N1 2.511(3) .
Na2 N2 2.475(3) .
Na2 C2 3.092(3) .
Na2 C8 3.119(3) .
Na2 C27 2.857(3) .
Na2 C28 2.595(3) .
Na2 C29 2.966(3) .
Mg1 N2 2.043(3) .
Mg1 N4 1.997(3) .
Mg1 C29 2.150(3) .
Mg2 Na2 3.2904(17) 3_565
Mg2 N1 2.047(3) 3_565
Mg2 N3 2.014(3) .
Mg2 C27 2.136(3) 3_565
N1 Mg2 2.047(3) 3_565
N1 C2 1.471(4) .
N1 C5 1.464(4) .
N2 C8 1.480(4) .
N2 C11 1.474(4) .
N3 C14 1.468(4) .
N3 C17 1.477(4) .
N4 C20 1.459(4) .
N4 C23 1.484(4) .
C1 H1A 0.980 .
C1 H1B 0.980 .
C1 H1C 0.980 .
C1 C2 1.519(4) .
C2 H2 1.000 .
C2 C3 1.528(5) .
C3 H3A 0.980 .
C3 H3B 0.980 .
C3 H3C 0.980 .
C4 H4A 0.980 .
C4 H4B 0.980 .
C4 H4C 0.980 .
C4 C5 1.537(4) .
C5 H5 1.000 .
C5 C6 1.517(4) .
C6 H6A 0.980 .
C6 H6B 0.980 .
C6 H6C 0.980 .
C7 H7A 0.980 .
C7 H7B 0.980 .
C7 H7C 0.980 .
C7 C8 1.521(4) .
C8 H8 1.000 .
C8 C9 1.534(4) .
C9 H9A 0.980 .
C9 H9B 0.980 .
C9 H9C 0.980 .
C10 H10A 0.980 .
C10 H10B 0.980 .
C10 H10C 0.980 .
C10 C11 1.521(4) .
C11 H11 1.000 .
C11 C12 1.533(4) .
C12 H12A 0.980 .
C12 H12B 0.980 .
C12 H12C 0.980 .
C13 H13A 0.980 .
C13 H13B 0.980 .
C13 H13C 0.980 .
C13 C14 1.533(5) .
C14 H14 1.000 .
C14 C15 1.523(5) .
C15 H15A 0.980 .
C15 H15B 0.980 .
C15 H15C 0.980 .
C16 H16A 0.980 .
C16 H16B 0.980 .
C16 H16C 0.980 .
C16 C17 1.543(4) .
C17 H17 1.000 .
C17 C18 1.522(4) .
C18 H18A 0.980 .
C18 H18B 0.980 .
C18 H18C 0.980 .
C19 H19A 0.980 .
C19 H19B 0.980 .
C19 H19C 0.980 .
C19 C20 1.533(4) .
C20 H20 1.000 .
C20 C21 1.527(4) .
C21 H21A 0.980 .
C21 H21B 0.980 .
C21 H21C 0.980 .
C22 H22A 0.980 .
C22 H22B 0.980 .
C22 H22C 0.980 .
C22 C23 1.516(5) .
C23 H23 1.000 .
C23 C24 1.526(4) .
C24 H24A 0.980 .
C24 H24B 0.980 .
C24 H24C 0.980 .
C25 C26 1.420(4) .
C25 C29 1.434(4) .
C25 H25 0.90(3) .
C26 C27 1.435(4) .
C26 H26 0.96(3) .
C27 Na1 2.818(3) 3_565
C27 Mg2 2.136(3) 3_565
C27 C28 1.458(4) .
C28 C29 1.453(4) .
C28 H28 0.96(3) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N2 Na2 N1 Mg2 -137.20(19) . 3_565
N2 Na2 N1 C2 96.6(3) . .
N2 Na2 N1 C5 -22.0(3) . .
C2 Na2 N1 Mg2 126.2(2) . 3_565
C2 Na2 N1 C5 -118.6(3) . .
C8 Na2 N1 Mg2 166.34(14) . 3_565
C8 Na2 N1 C2 40.1(3) . .
C8 Na2 N1 C5 -78.4(2) . .
C27 Na2 N1 Mg2 12.35(9) . 3_565
C27 Na2 N1 C2 -113.84(18) . .
C27 Na2 N1 C5 127.60(19) . .
C28 Na2 N1 Mg2 -8.37(12) . 3_565
C28 Na2 N1 C2 -134.55(18) . .
C28 Na2 N1 C5 106.89(19) . .
C29 Na2 N1 Mg2 5.10(14) . 3_565
C29 Na2 N1 C2 -121.08(18) . .
C29 Na2 N1 C5 120.36(19) . .
N4 Mg1 N2 Na2 -163.76(14) . .
N4 Mg1 N2 C8 90.9(2) . .
N4 Mg1 N2 C11 -44.5(3) . .
C29 Mg1 N2 Na2 15.78(13) . .
C29 Mg1 N2 C8 -89.5(2) . .
C29 Mg1 N2 C11 135.0(2) . .
N1 Na2 N2 Mg1 138.17(19) . .
N1 Na2 N2 C8 -102.5(2) . .
N1 Na2 N2 C11 17.7(3) . .
C2 Na2 N2 Mg1 -168.05(13) . .
C2 Na2 N2 C8 -48.8(2) . .
C2 Na2 N2 C11 71.5(3) . .
C8 Na2 N2 Mg1 -119.29(19) . .
C8 Na2 N2 C11 120.2(3) . .
C27 Na2 N2 Mg1 -4.78(15) . .
C27 Na2 N2 C8 114.51(18) . .
C27 Na2 N2 C11 -125.26(19) . .
C28 Na2 N2 Mg1 8.88(12) . .
C28 Na2 N2 C8 128.17(17) . .
C28 Na2 N2 C11 -111.6(2) . .
C29 Na2 N2 Mg1 -11.25(9) . .
C29 Na2 N2 C8 108.03(17) . .
C29 Na2 N2 C11 -131.7(2) . .
N1 Mg2 N3 Na1 -157.38(15) 3_565 .
N1 Mg2 N3 C14 -42.5(3) 3_565 .
N1 Mg2 N3 C17 101.1(3) 3_565 .
C27 Mg2 N3 Na1 22.91(13) 3_565 .
C27 Mg2 N3 C14 137.8(2) 3_565 .
C27 Mg2 N3 C17 -78.6(2) 3_565 .
N4 Na1 N3 Mg2 141.49(10) . .
N4 Na1 N3 C14 25.3(3) . .
N4 Na1 N3 C17 -96.1(2) . .
C27 Na1 N3 Mg2 -16.17(9) 3_565 .
C27 Na1 N3 C14 -132.3(2) 3_565 .
C27 Na1 N3 C17 106.28(19) 3_565 .
C29 Na1 N3 Mg2 -86.13(16) . .
C29 Na1 N3 C14 157.7(2) . .
C29 Na1 N3 C17 36.3(3) . .
N2 Mg1 N4 Na1 -161.97(14) . .
N2 Mg1 N4 C20 -44.8(3) . .
N2 Mg1 N4 C23 104.7(3) . .
C29 Mg1 N4 Na1 18.52(12) . .
C29 Mg1 N4 C20 135.7(2) . .
C29 Mg1 N4 C23 -74.9(3) . .
N3 Na1 N4 Mg1 138.43(11) . .
N3 Na1 N4 C20 22.2(2) . .
N3 Na1 N4 C23 -100.8(2) . .
C27 Na1 N4 Mg1 -82.79(17) 3_565 .
C27 Na1 N4 C20 161.0(2) 3_565 .
C27 Na1 N4 C23 38.0(3) 3_565 .
C29 Na1 N4 Mg1 -13.55(9) . .
C29 Na1 N4 C20 -129.8(2) . .
C29 Na1 N4 C23 107.22(19) . .
Na2 N1 C2 C1 61.7(3) . .
Na2 N1 C2 C3 -175.1(2) . .
Mg2 N1 C2 Na2 -98.4(2) 3_565 .
Mg2 N1 C2 C1 -36.8(4) 3_565 .
Mg2 N1 C2 C3 86.5(3) 3_565 .
C5 N1 C2 Na2 116.3(3) . .
C5 N1 C2 C1 178.0(3) . .
C5 N1 C2 C3 -58.7(4) . .
N1 Na2 C2 C1 -123.3(3) . .
N1 Na2 C2 C3 20.5(10) . .
N2 Na2 C2 N1 -130.6(2) . .
N2 Na2 C2 C1 106.1(2) . .
N2 Na2 C2 C3 -110.0(10) . .
C8 Na2 C2 N1 -155.24(16) . .
C8 Na2 C2 C1 81.5(2) . .
C8 Na2 C2 C3 -134.7(10) . .
C27 Na2 C2 N1 63.06(17) . .
C27 Na2 C2 C1 -60.2(2) . .
C27 Na2 C2 C3 83.6(11) . .
C28 Na2 C2 N1 52.9(2) . .
C28 Na2 C2 C1 -70.4(2) . .
C28 Na2 C2 C3 73.4(11) . .
C29 Na2 C2 N1 82.7(2) . .
C29 Na2 C2 C1 -40.6(2) . .
C29 Na2 C2 C3 103.2(10) . .
Na2 N1 C5 C4 48.7(3) . .
Na2 N1 C5 C6 -73.6(3) . .
Mg2 N1 C5 C4 149.8(2) 3_565 .
Mg2 N1 C5 C6 27.5(3) 3_565 .
C2 N1 C5 C4 -60.5(4) . .
C2 N1 C5 C6 177.2(3) . .
Na2 N2 C8 C7 -66.2(3) . .
Na2 N2 C8 C9 56.6(3) . .
Mg1 N2 C8 Na2 101.79(18) . .
Mg1 N2 C8 C7 35.6(3) . .
Mg1 N2 C8 C9 158.4(2) . .
C11 N2 C8 Na2 -121.4(2) . .
C11 N2 C8 C7 172.4(3) . .
C11 N2 C8 C9 -64.8(3) . .
N1 Na2 C8 N2 127.5(2) . .
N1 Na2 C8 C7 -112.0(2) . .
N1 Na2 C8 C9 -2.1(3) . .
N2 Na2 C8 C7 120.5(3) . .
N2 Na2 C8 C9 -129.6(3) . .
C2 Na2 C8 N2 148.74(17) . .
C2 Na2 C8 C7 -90.81(19) . .
C2 Na2 C8 C9 19.1(2) . .
C27 Na2 C8 N2 -87.39(19) . .
C27 Na2 C8 C7 33.1(2) . .
C27 Na2 C8 C9 143.01(18) . .
C28 Na2 C8 N2 -58.14(19) . .
C28 Na2 C8 C7 62.3(2) . .
C28 Na2 C8 C9 172.25(18) . .
C29 Na2 C8 N2 -67.54(17) . .
C29 Na2 C8 C7 52.92(18) . .
C29 Na2 C8 C9 162.86(19) . .
Na2 N2 C11 C10 55.3(3) . .
Na2 N2 C11 C12 177.4(2) . .
Mg1 N2 C11 C10 -53.0(3) . .
Mg1 N2 C11 C12 69.0(3) . .
C8 N2 C11 C10 169.2(3) . .
C8 N2 C11 C12 -68.8(3) . .
Na1 N3 C14 C13 173.2(2) . .
Na1 N3 C14 C15 51.2(3) . .
Mg2 N3 C14 C13 76.0(3) . .
Mg2 N3 C14 C15 -45.9(3) . .
C17 N3 C14 C13 -71.3(4) . .
C17 N3 C14 C15 166.8(3) . .
Na1 N3 C17 C16 46.8(3) . .
Na1 N3 C17 C18 -74.4(3) . .
Mg2 N3 C17 C16 139.4(2) . .
Mg2 N3 C17 C18 18.2(3) . .
C14 N3 C17 C16 -76.0(3) . .
C14 N3 C17 C18 162.8(3) . .
Na1 N4 C20 C19 -54.6(3) . .
Na1 N4 C20 C21 67.9(3) . .
Mg1 N4 C20 C19 -148.0(2) . .
Mg1 N4 C20 C21 -25.6(3) . .
C23 N4 C20 C19 60.2(4) . .
C23 N4 C20 C21 -177.3(3) . .
Na1 N4 C23 C22 -59.1(3) . .
Na1 N4 C23 C24 178.2(3) . .
Mg1 N4 C23 C22 24.0(4) . .
Mg1 N4 C23 C24 -98.7(3) . .
C20 N4 C23 C22 174.5(3) . .
C20 N4 C23 C24 51.9(4) . .
C26 Ru1 C25 C26 180.0 3_565 .
C26 Ru1 C25 C29 120.2(3) . .
C26 Ru1 C25 C29 -59.8(3) 3_565 .
C27 Ru1 C25 C26 -36.12(18) . .
C27 Ru1 C25 C26 143.88(18) 3_565 .
C27 Ru1 C25 C29 84.04(19) . .
C27 Ru1 C25 C29 -95.96(19) 3_565 .
C28 Ru1 C25 C26 -79.7(2) . .
C28 Ru1 C25 C26 100.3(2) 3_565 .
C28 Ru1 C25 C29 40.42(17) . .
C28 Ru1 C25 C29 -139.58(17) 3_565 .
C29 Ru1 C25 C26 -120.2(3) . .
C29 Ru1 C25 C26 59.8(3) 3_565 .
C29 Ru1 C25 C29 180.0 3_565 .
Ru1 C25 C26 C27 62.0(2) . .
C29 C25 C26 Ru1 -62.9(2) . .
C29 C25 C26 C27 -0.9(3) . .
C25 Ru1 C26 C25 180.0 3_565 .
C25 Ru1 C26 C27 -120.1(3) . .
C25 Ru1 C26 C27 59.9(3) 3_565 .
C26 Ru1 C26 C25 -80(100) 3_565 .
C26 Ru1 C26 C27 160(100) 3_565 .
C27 Ru1 C26 C25 120.1(3) . .
C27 Ru1 C26 C25 -59.9(3) 3_565 .
C27 Ru1 C26 C27 180.0 3_565 .
C28 Ru1 C26 C25 79.5(2) . .
C28 Ru1 C26 C25 -100.5(2) 3_565 .
C28 Ru1 C26 C27 -40.59(18) . .
C28 Ru1 C26 C27 139.41(18) 3_565 .
C29 Ru1 C26 C25 36.09(18) . .
C29 Ru1 C26 C25 -143.91(18) 3_565 .
C29 Ru1 C26 C27 -83.98(19) . .
C29 Ru1 C26 C27 96.02(19) 3_565 .
Ru1 C26 C27 Na1 -74.87(9) . 3_565
Ru1 C26 C27 Na2 125.20(11) . .
Ru1 C26 C27 Mg2 -153.4(3) . 3_565
Ru1 C26 C27 C28 60.19(18) . .
C25 C26 C27 Ru1 -60.6(2) . .
C25 C26 C27 Na1 -135.5(2) . 3_565
C25 C26 C27 Na2 64.6(2) . .
C25 C26 C27 Mg2 146.0(3) . 3_565
C25 C26 C27 C28 -0.4(3) . .
C25 Ru1 C27 Na1 -41.45(13) 3_565 3_565
C25 Ru1 C27 Na1 138.55(13) . 3_565
C25 Ru1 C27 Na2 -44.21(14) . .
C25 Ru1 C27 Na2 135.79(14) 3_565 .
C25 Ru1 C27 Mg2 -0.8(3) 3_565 3_565
C25 Ru1 C27 Mg2 179.2(3) . 3_565
C25 Ru1 C27 C26 36.22(18) . .
C25 Ru1 C27 C26 -143.78(18) 3_565 .
C25 Ru1 C27 C28 -76.93(19) . .
C25 Ru1 C27 C28 103.07(19) 3_565 .
C26 Ru1 C27 Na1 -77.68(19) 3_565 3_565
C26 Ru1 C27 Na1 102.32(19) . 3_565
C26 Ru1 C27 Na2 -80.4(2) . .
C26 Ru1 C27 Na2 99.6(2) 3_565 .
C26 Ru1 C27 Mg2 -37.0(4) 3_565 3_565
C26 Ru1 C27 Mg2 143.0(4) . 3_565
C26 Ru1 C27 C26 180.0 3_565 .
C26 Ru1 C27 C28 -113.1(3) . .
C26 Ru1 C27 C28 66.9(3) 3_565 .
C27 Ru1 C27 Na1 0(100) 3_565 3_565
C27 Ru1 C27 Na2 0(100) 3_565 .
C27 Ru1 C27 Mg2 0(100) 3_565 3_565
C27 Ru1 C27 C26 0(100) 3_565 .
C27 Ru1 C27 C28 0(100) 3_565 .
C28 Ru1 C27 Na1 35.47(19) 3_565 3_565
C28 Ru1 C27 Na1 -144.53(19) . 3_565
C28 Ru1 C27 Na2 32.71(16) . .
C28 Ru1 C27 Na2 -147.29(16) 3_565 .
C28 Ru1 C27 Mg2 76.2(3) 3_565 3_565
C28 Ru1 C27 Mg2 -103.8(3) . 3_565
C28 Ru1 C27 C26 113.1(3) . .
C28 Ru1 C27 C26 -66.9(3) 3_565 .
C28 Ru1 C27 C28 180.0 3_565 .
C29 Ru1 C27 Na1 0.34(11) 3_565 3_565
C29 Ru1 C27 Na1 -179.66(11) . 3_565
C29 Ru1 C27 Na2 -2.42(13) . .
C29 Ru1 C27 Na2 177.58(13) 3_565 .
C29 Ru1 C27 Mg2 41.0(3) 3_565 3_565
C29 Ru1 C27 Mg2 -139.0(3) . 3_565
C29 Ru1 C27 C26 78.02(19) . .
C29 Ru1 C27 C26 -101.98(19) 3_565 .
C29 Ru1 C27 C28 -35.13(17) . .
C29 Ru1 C27 C28 144.87(17) 3_565 .
N1 Na2 C27 Ru1 -170.15(16) . .
N1 Na2 C27 Na1 2.9(3) . 3_565
N1 Na2 C27 Mg2 -11.96(9) . 3_565
N1 Na2 C27 C26 122.16(19) . .
N1 Na2 C27 C28 -136.65(19) . .
N2 Na2 C27 Ru1 -6.0(2) . .
N2 Na2 C27 Na1 167.0(3) . 3_565
N2 Na2 C27 Mg2 152.14(10) . 3_565
N2 Na2 C27 C26 -73.7(2) . .
N2 Na2 C27 C28 27.5(2) . .
C2 Na2 C27 Ru1 164.35(15) . .
C2 Na2 C27 Na1 -22.6(3) . 3_565
C2 Na2 C27 Mg2 -37.46(10) . 3_565
C2 Na2 C27 C26 96.66(18) . .
C2 Na2 C27 C28 -162.15(19) . .
C8 Na2 C27 Ru1 28.5(2) . .
C8 Na2 C27 Na1 -158.4(3) . 3_565
C8 Na2 C27 Mg2 -173.28(10) . 3_565
C8 Na2 C27 C26 -39.2(2) . .
C8 Na2 C27 C28 62.0(2) . .
C28 Na2 C27 Ru1 -33.50(17) . .
C28 Na2 C27 Na1 139.5(4) . 3_565
C28 Na2 C27 Mg2 124.7(2) . 3_565
C28 Na2 C27 C26 -101.2(3) . .
C29 Na2 C27 Ru1 2.19(11) . .
C29 Na2 C27 Na1 175.2(4) . 3_565
C29 Na2 C27 Mg2 160.38(14) . 3_565
C29 Na2 C27 C26 -65.50(18) . .
C29 Na2 C27 C28 35.69(17) . .
Ru1 C27 C28 Na2 150.40(12) . .
Ru1 C27 C28 C29 63.2(2) . .
Na1 C27 C28 Ru1 49.3(2) 3_565 .
Na1 C27 C28 Na2 -160.3(2) 3_565 .
Na1 C27 C28 C29 112.6(3) 3_565 .
Na2 C27 C28 Ru1 -150.40(12) . .
Na2 C27 C28 C29 -87.2(2) . .
Mg2 C27 C28 Ru1 144.71(18) 3_565 .
Mg2 C27 C28 Na2 -64.89(18) 3_565 .
Mg2 C27 C28 C29 -152.1(2) 3_565 .
C26 C27 C28 Ru1 -61.55(19) . .
C26 C27 C28 Na2 88.8(2) . .
C26 C27 C28 C29 1.7(3) . .
C25 Ru1 C28 Na2 26.7(2) . .
C25 Ru1 C28 Na2 -153.3(2) 3_565 .
C25 Ru1 C28 C27 82.73(19) . .
C25 Ru1 C28 C27 -97.27(19) 3_565 .
C25 Ru1 C28 C29 -39.63(17) . .
C25 Ru1 C28 C29 140.37(17) 3_565 .
C26 Ru1 C28 Na2 -16.5(2) . .
C26 Ru1 C28 Na2 163.5(2) 3_565 .
C26 Ru1 C28 C27 39.59(17) . .
C26 Ru1 C28 C27 -140.41(17) 3_565 .
C26 Ru1 C28 C29 -82.76(18) . .
C26 Ru1 C28 C29 97.24(18) 3_565 .
C27 Ru1 C28 Na2 -56.1(2) . .
C27 Ru1 C28 Na2 123.9(2) 3_565 .
C27 Ru1 C28 C27 180.0 3_565 .
C27 Ru1 C28 C29 -122.4(3) . .
C27 Ru1 C28 C29 57.6(3) 3_565 .
C28 Ru1 C28 Na2 -177(100) 3_565 .
C28 Ru1 C28 C27 -121(100) 3_565 .
C28 Ru1 C28 C29 117(100) 3_565 .
C29 Ru1 C28 Na2 66.3(3) . .
C29 Ru1 C28 Na2 -113.7(3) 3_565 .
C29 Ru1 C28 C27 122.4(3) . .
C29 Ru1 C28 C27 -57.6(3) 3_565 .
C29 Ru1 C28 C29 180.0 3_565 .
N1 Na2 C28 Ru1 95.8(3) . .
N1 Na2 C28 C27 42.73(19) . .
N1 Na2 C28 C29 157.46(18) . .
N2 Na2 C28 Ru1 -104.5(3) . .
N2 Na2 C28 C27 -157.62(18) . .
N2 Na2 C28 C29 -42.88(19) . .
C2 Na2 C28 Ru1 73.4(3) . .
C2 Na2 C28 C27 20.4(2) . .
C2 Na2 C28 C29 135.09(17) . .
C8 Na2 C28 Ru1 -81.0(3) . .
C8 Na2 C28 C27 -134.13(17) . .
C8 Na2 C28 C29 -19.4(2) . .
C27 Na2 C28 Ru1 53.1(2) . .
C27 Na2 C28 C29 114.7(3) . .
C29 Na2 C28 Ru1 -61.6(2) . .
C29 Na2 C28 C27 -114.7(3) . .
Ru1 C25 C29 Na1 78.23(10) . .
Ru1 C25 C29 Na2 -120.85(10) . .
Ru1 C25 C29 Mg1 160.7(2) . .
Ru1 C25 C29 C28 -59.96(18) . .
C26 C25 C29 Ru1 61.8(2) . .
C26 C25 C29 Na1 140.0(2) . .
C26 C25 C29 Na2 -59.1(2) . .
C26 C25 C29 Mg1 -137.5(3) . .
C26 C25 C29 C28 1.8(3) . .
Ru1 C28 C29 Na1 -52.2(2) . .
Ru1 C28 C29 Na2 147.11(13) . .
Ru1 C28 C29 Mg1 -150.70(16) . .
Ru1 C28 C29 C25 60.89(18) . .
Na2 C28 C29 Ru1 -147.11(13) . .
Na2 C28 C29 Na1 160.7(2) . .
Na2 C28 C29 Mg1 62.19(18) . .
Na2 C28 C29 C25 -86.2(2) . .
C27 C28 C29 Ru1 -63.1(2) . .
C27 C28 C29 Na1 -115.3(3) . .
C27 C28 C29 Na2 84.0(2) . .
C27 C28 C29 Mg1 146.2(2) . .
C27 C28 C29 C25 -2.2(3) . .
N2 Mg1 C29 Ru1 -152.4(3) . .
N2 Mg1 C29 Na1 161.23(9) . .
N2 Mg1 C29 Na2 -13.27(11) . .
N2 Mg1 C29 C25 70.5(3) . .
N2 Mg1 C29 C28 -65.1(2) . .
N4 Mg1 C29 Ru1 27.2(4) . .
N4 Mg1 C29 Na1 -19.12(13) . .
N4 Mg1 C29 Na2 166.39(10) . .
N4 Mg1 C29 C25 -109.8(3) . .
N4 Mg1 C29 C28 114.6(2) . .
C25 Ru1 C29 Na1 -101.70(18) . .
C25 Ru1 C29 Na1 78.30(18) 3_565 .
C25 Ru1 C29 Na2 80.15(19) . .
C25 Ru1 C29 Na2 -99.85(19) 3_565 .
C25 Ru1 C29 Mg1 -147.5(4) . .
C25 Ru1 C29 Mg1 32.5(4) 3_565 .
C25 Ru1 C29 C25 180.0 3_565 .
C25 Ru1 C29 C28 113.2(3) . .
C25 Ru1 C29 C28 -66.8(3) 3_565 .
C26 Ru1 C29 Na1 -137.88(13) . .
C26 Ru1 C29 Na1 42.12(13) 3_565 .
C26 Ru1 C29 Na2 43.98(13) . .
C26 Ru1 C29 Na2 -136.02(13) 3_565 .
C26 Ru1 C29 Mg1 176.3(4) . .
C26 Ru1 C29 Mg1 -3.7(4) 3_565 .
C26 Ru1 C29 C25 -36.17(17) . .
C26 Ru1 C29 C25 143.83(17) 3_565 .
C26 Ru1 C29 C28 77.05(19) . .
C26 Ru1 C29 C28 -102.95(19) 3_565 .
C27 Ru1 C29 Na1 -179.64(12) . .
C27 Ru1 C29 Na1 0.36(12) 3_565 .
C27 Ru1 C29 Na2 2.21(12) . .
C27 Ru1 C29 Na2 -177.79(12) 3_565 .
C27 Ru1 C29 Mg1 134.5(4) . .
C27 Ru1 C29 Mg1 -45.5(4) 3_565 .
C27 Ru1 C29 C25 -77.94(19) . .
C27 Ru1 C29 C25 102.06(19) 3_565 .
C27 Ru1 C29 C28 35.28(17) . .
C27 Ru1 C29 C28 -144.72(17) 3_565 .
C28 Ru1 C29 Na1 145.1(2) . .
C28 Ru1 C29 Na1 -34.9(2) 3_565 .
C28 Ru1 C29 Na2 -33.07(15) . .
C28 Ru1 C29 Na2 146.93(15) 3_565 .
C28 Ru1 C29 Mg1 99.2(4) . .
C28 Ru1 C29 Mg1 -80.8(4) 3_565 .
C28 Ru1 C29 C25 -113.2(3) . .
C28 Ru1 C29 C25 66.8(3) 3_565 .
C28 Ru1 C29 C28 180.0 3_565 .
C29 Ru1 C29 Na1 0.00(5) 3_565 .
C29 Ru1 C29 Na2 0.00(11) 3_565 .
C29 Ru1 C29 Mg1 0.0(3) 3_565 .
C29 Ru1 C29 C25 0.00(9) 3_565 .
C29 Ru1 C29 C28 0.00(10) 3_565 .
N3 Na1 C29 Ru1 67.63(16) . .
N3 Na1 C29 Na2 -116.8(3) . .
N3 Na1 C29 Mg1 -131.66(14) . .
N3 Na1 C29 C25 0.6(3) . .
N3 Na1 C29 C28 115.0(3) . .
N4 Na1 C29 Ru1 -148.12(9) . .
N4 Na1 C29 Na2 27.5(3) . .
N4 Na1 C29 Mg1 12.59(8) . .
N4 Na1 C29 C25 144.82(19) . .
N4 Na1 C29 C28 -100.7(3) . .
C27 Na1 C29 Ru1 -0.26(9) 3_565 .
C27 Na1 C29 Na2 175.3(3) 3_565 .
C27 Na1 C29 Mg1 160.46(10) 3_565 .
C27 Na1 C29 C25 -67.32(19) 3_565 .
C27 Na1 C29 C28 47.1(3) 3_565 .
N1 Na2 C29 Ru1 7.19(18) . .
N1 Na2 C29 Na1 -167.8(3) . .
N1 Na2 C29 Mg1 -152.96(10) . .
N1 Na2 C29 C25 73.9(2) . .
N1 Na2 C29 C28 -28.0(2) . .
N2 Na2 C29 Ru1 170.96(14) . .
N2 Na2 C29 Na1 -4.0(3) . .
N2 Na2 C29 Mg1 10.81(9) . .
N2 Na2 C29 C25 -122.31(19) . .
N2 Na2 C29 C28 135.8(2) . .
C2 Na2 C29 Ru1 -28.2(2) . .
C2 Na2 C29 Na1 156.8(3) . .
C2 Na2 C29 Mg1 171.66(11) . .
C2 Na2 C29 C25 38.5(2) . .
C2 Na2 C29 C28 -63.3(2) . .
C8 Na2 C29 Ru1 -162.67(13) . .
C8 Na2 C29 Na1 22.3(3) . .
C8 Na2 C29 Mg1 37.18(9) . .
C8 Na2 C29 C25 -95.94(19) . .
C8 Na2 C29 C28 162.18(19) . .
C27 Na2 C29 Ru1 -2.08(11) . .
C27 Na2 C29 Na1 -177.1(4) . .
C27 Na2 C29 Mg1 -162.23(14) . .
C27 Na2 C29 C25 64.65(19) . .
C27 Na2 C29 C28 -37.23(18) . .
C28 Na2 C29 Ru1 35.15(17) . .
C28 Na2 C29 Na1 -139.8(4) . .
C28 Na2 C29 Mg1 -125.0(2) . .
C28 Na2 C29 C25 101.9(3) . .
C29 C25 C28 Mg1 20.4(2) . .
