# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2003

data_global
_publ_contact_author_email       ICDD@MAHENDRA.IACS.RES.IN
_publ_contact_author_name        'Dr Dipankar Datta'
_journal_name_full               'New J.Chem.(Nouv.J.Chim.)'
_journal_coden_Cambridge         0440
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
loop_
_publ_author_name
D.Datta
M.Drew
P.K.Pal
D.Tocher
M.Truter

data_2
_database_code_CSD               205548

_audit_creation_method           SHELXL
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            Na(Ru(L')(N)(H2O)).1.4H2O
_chemical_formula_moiety         
;
[ Na[Ru(L')(N)(H2O)].1.4H2O ]
;
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_sum            'C10 H20.80 N3 Na O6.40 Ru'
_chemical_formula_weight         409.56
_chemical_melting_point          ?
_chemical_compound_source        ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)

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

_cell_length_a                   12.078(2)
_cell_length_b                   19.010(4)
_cell_length_c                   18.010(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.77(3)
_cell_angle_gamma                90.00
_cell_volume                     4097.2(14)
_cell_formula_units_Z            10
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    25
_cell_measurement_theta_min      8
_cell_measurement_theta_max      11

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.34
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             2080
_exptl_absorpt_coefficient_mu    1.013
_exptl_absorpt_correction_type   DIFABS
_exptl_absorpt_correction_T_min  1.00
_exptl_absorpt_correction_T_max  0.62

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'Nicolet P3'
_diffrn_measurement_method       ?
_diffrn_standards_number         3
_diffrn_standards_interval_count 97
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        <3%
_diffrn_reflns_number            7496
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0277
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.52
_diffrn_reflns_theta_max         25.07
_reflns_number_total             7496
_reflns_number_observed          7053
_reflns_observed_criterion       >2sigma(I)

_computing_data_collection       P3
_computing_cell_refinement       P3
_computing_data_reduction        XDISK
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics    XP
_computing_publication_material  CIFTAB

_refine_special_details          
; 
Refinement on F^2^ for ALL reflections except for 8 with very negative F^2^ 
or flagged by the user for potential systematic errors.  Weighted R-factors 
wR and all goodnesses 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 observed criterion 
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0921P)^2^+24.6324P] 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    'fixed contribution'
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(5)
_refine_ls_number_reflns         7488
_refine_ls_number_parameters     841
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_obs          0.0609
_refine_ls_wR_factor_all         0.1697
_refine_ls_wR_factor_obs         0.1597
_refine_ls_goodness_of_fit_all   1.055
_refine_ls_goodness_of_fit_obs   1.061
_refine_ls_restrained_S_all      1.091
_refine_ls_restrained_S_obs      1.061
_refine_ls_shift/esd_max         0.014
_refine_ls_shift/esd_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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ru1 Ru 0.39768(8) 0.15614(5) 0.38433(6) 0.0352(2) Uani 1 d . .
O11 O 0.5013(9) 0.1270(6) 0.3146(6) 0.052(3) Uani 1 d . .
O12 O 0.4828(9) 0.2424(5) 0.4118(6) 0.051(3) Uani 1 d . .
O13 O 0.3745(9) -0.0264(4) 0.4957(5) 0.043(2) Uani 1 d . .
O14 O 0.3536(7) 0.0854(5) 0.5912(4) 0.032(2) Uani 1 d . .
N11 N 0.2783(11) 0.1743(8) 0.3358(8) 0.057(3) Uani 1 d . .
N12 N 0.4015(9) 0.0550(7) 0.4039(6) 0.040(3) Uani 1 d . .
N13 N 0.3802(8) 0.1591(5) 0.4930(6) 0.032(2) Uani 1 d . .
C11 C 0.4655(14) 0.0578(9) 0.2858(8) 0.051(4) Uani 1 d . .
H11A H 0.5229(14) 0.0387(9) 0.2597(8) 0.080 Uiso 1 d R .
H11B H 0.3980(14) 0.0613(9) 0.2511(8) 0.080 Uiso 1 d R .
C12 C 0.4476(11) 0.0072(8) 0.3507(7) 0.040(3) Uani 1 d . .
C13 C 0.3688(15) -0.0487(10) 0.3222(10) 0.061(4) Uani 1 d . .
H13A H 0.3573(15) -0.0790(10) 0.3632(10) 0.080 Uiso 1 d R .
H13B H 0.2988(15) -0.0285(10) 0.3011(10) 0.080 Uiso 1 d R .
H13C H 0.3992(15) -0.0756(10) 0.2846(10) 0.080 Uiso 1 d R .
C14 C 0.5595(16) -0.0238(12) 0.3875(11) 0.073(5) Uani 1 d . .
H14A H 0.5476(16) -0.0542(12) 0.4282(11) 0.080 Uiso 1 d R .
H14B H 0.5904(16) -0.0506(12) 0.3500(11) 0.080 Uiso 1 d R .
H14C H 0.6105(16) 0.0130(12) 0.4057(11) 0.080 Uiso 1 d R .
C15 C 0.3801(10) 0.0341(7) 0.4728(7) 0.033(3) Uani 1 d . .
C16 C 0.3665(9) 0.0975(7) 0.5254(7) 0.031(3) Uani 1 d . .
C17 C 0.4080(14) 0.2284(7) 0.5319(9) 0.049(4) Uani 1 d . .
C18 C 0.5053(13) 0.2224(10) 0.5854(9) 0.060(5) Uani 1 d . .
H18A H 0.4915(13) 0.1902(10) 0.6242(9) 0.080 Uiso 1 d R .
H18B H 0.5665(13) 0.2055(10) 0.5614(9) 0.080 Uiso 1 d R .
H18C H 0.5235(13) 0.2678(10) 0.6068(9) 0.080 Uiso 1 d R .
C19 C 0.3059(15) 0.2553(10) 0.5651(11) 0.065(5) Uani 1 d . .
H19A H 0.2926(15) 0.2253(10) 0.6059(11) 0.080 Uiso 1 d R .
H19B H 0.3235(15) 0.3019(10) 0.5838(11) 0.080 Uiso 1 d R .
H19C H 0.2401(15) 0.2569(10) 0.5287(11) 0.080 Uiso 1 d R .
C20 C 0.4262(16) 0.2783(8) 0.4675(10) 0.059(4) Uani 1 d . .
H20A H 0.3548(16) 0.2932(8) 0.4425(10) 0.080 Uiso 1 d R .
H20B H 0.4670(16) 0.3192(8) 0.4869(10) 0.080 Uiso 1 d R .
Ru2 Ru -1.14807(8) 0.20457(5) -0.53271(6) 0.0344(2) Uani 1 d . .
O21 O -1.1230(7) 0.2035(5) -0.6380(5) 0.036(2) Uani 1 d . .
O22 O -1.1686(9) 0.3086(5) -0.5376(5) 0.045(2) Uani 1 d . .
O23 O -0.9043(7) 0.0760(4) -0.4363(5) 0.033(2) Uani 1 d . .
O24 O -0.9238(8) 0.1912(6) -0.3460(5) 0.045(2) Uani 1 d . .
O25 O -1.0174(6) 0.2478(4) -0.5543(4) 0.0220(14) Uiso 1 d . .
N21 N -1.2625(10) 0.1694(9) -0.5231(7) 0.057(4) Uani 1 d . .
N22 N -1.0302(9) 0.1307(6) -0.5255(6) 0.040(2) Uani 1 d . .
N23 N -1.0676(10) 0.2297(6) -0.4328(6) 0.042(3) Uani 1 d . .
C21 C -1.0408(11) 0.1539(7) -0.6555(7) 0.039(3) Uani 1 d . .
H21A H -0.9714(11) 0.1777(7) -0.6583(7) 0.080 Uiso 1 d R .
H21B H -1.0653(11) 0.1334(7) -0.7036(7) 0.080 Uiso 1 d R .
C22 C -1.0208(10) 0.0938(6) -0.5963(6) 0.029(2) Uani 1 d . .
C23 C -1.1188(14) 0.0405(8) -0.6099(10) 0.054(4) Uani 1 d . .
H23A H -1.1060(14) 0.0042(8) -0.5727(10) 0.080 Uiso 1 d R .
H23B H -1.1889(14) 0.0631(8) -0.6062(10) 0.080 Uiso 1 d R .
H23C H -1.1207(14) 0.0201(8) -0.6588(10) 0.080 Uiso 1 d R .
C24 C -0.9108(11) 0.0583(9) -0.5998(9) 0.048(3) Uani 1 d . .
H24A H -0.8996(11) 0.0217(9) -0.5628(9) 0.080 Uiso 1 d R .
H24B H -0.9102(11) 0.0383(9) -0.6487(9) 0.080 Uiso 1 d R .
H24C H -0.8520(11) 0.0924(9) -0.5903(9) 0.080 Uiso 1 d R .
C25 C -0.9707(10) 0.1240(6) -0.4582(7) 0.033(3) Uani 1 d . .
C26 C -0.9862(11) 0.1860(6) -0.4037(6) 0.034(3) Uani 1 d . .
C27 C -1.0811(13) 0.3024(7) -0.4075(7) 0.043(3) Uani 1 d . .
C28 C -0.9781(16) 0.3452(9) -0.4160(13) 0.074(5) Uani 1 d . .
H28A H -0.9612(16) 0.3444(9) -0.4666(13) 0.080 Uiso 1 d R .
H28B H -0.9893(16) 0.3929(9) -0.4013(13) 0.080 Uiso 1 d R .
H28C H -0.9172(16) 0.3250(9) -0.3832(13) 0.080 Uiso 1 d R .
C29 C -1.1089(19) 0.3032(11) -0.3261(9) 0.074(6) Uani 1 d . .
H29A H -1.0469(19) 0.2873(11) -0.2911(9) 0.080 Uiso 1 d R .
H29B H -1.1303(19) 0.3495(11) -0.3124(9) 0.080 Uiso 1 d R .
H29C H -1.1707(19) 0.2716(11) -0.3254(9) 0.080 Uiso 1 d R .
C30 C -1.1798(13) 0.3305(8) -0.4632(8) 0.049(3) Uani 1 d . .
H30A H -1.2473(13) 0.3105(8) -0.4498(8) 0.080 Uiso 1 d R .
H30B H -1.1855(13) 0.3808(8) -0.4604(8) 0.080 Uiso 1 d R .
Ru3 Ru 0.14639(8) 0.35473(6) 0.28624(6) 0.0399(3) Uani 1 d . .
O31 O 0.0520(7) 0.3190(5) 0.1949(5) 0.043(2) Uani 1 d . .
O32 O 0.0467(7) 0.4363(5) 0.2881(6) 0.046(2) Uani 1 d . .
O33 O 0.4506(7) 0.3481(7) 0.2173(6) 0.055(3) Uani 1 d . .
O34 O 0.4445(7) 0.4519(6) 0.3236(6) 0.048(2) Uani 1 d . .
O35 O 0.1442(5) 0.4168(3) 0.2056(3) 0.0136(12) Uiso 1 d . .
N31 N 0.1356(12) 0.3024(9) 0.3546(8) 0.065(4) Uani 1 d . .
N32 N 0.2644(9) 0.3242(7) 0.2276(7) 0.046(3) Uani 1 d . .
N33 N 0.2562(9) 0.4290(7) 0.3179(8) 0.050(3) Uani 1 d . .
C31 C 0.1128(11) 0.2620(8) 0.1660(9) 0.046(3) Uani 1 d . .
H31A H 0.0746(11) 0.2483(8) 0.1180(9) 0.080 Uiso 1 d R .
H31B H 0.1151(11) 0.2220(8) 0.1987(9) 0.080 Uiso 1 d R .
C32 C 0.2311(11) 0.2839(8) 0.1571(8) 0.040(3) Uani 1 d . .
C33 C 0.2310(19) 0.3319(12) 0.0898(10) 0.078(6) Uani 1 d . .
H33A H 0.1830(19) 0.3710(12) 0.0960(10) 0.080 Uiso 1 d R .
H33B H 0.3050(19) 0.3486(12) 0.0860(10) 0.080 Uiso 1 d R .
H33C H 0.2028(19) 0.3067(12) 0.0450(10) 0.080 Uiso 1 d R .
C34 C 0.3065(14) 0.2208(9) 0.1520(9) 0.056(4) Uani 1 d . .
H34A H 0.3049(14) 0.1924(9) 0.1960(9) 0.080 Uiso 1 d R .
H34B H 0.2796(14) 0.1937(9) 0.1083(9) 0.080 Uiso 1 d R .
H34C H 0.3818(14) 0.2357(9) 0.1493(9) 0.080 Uiso 1 d R .
C35 C 0.3649(9) 0.3589(9) 0.2438(8) 0.044(3) Uani 1 d . .
C36 C 0.3620(9) 0.4188(7) 0.3016(8) 0.037(3) Uani 1 d . .
C37 C 0.2161(11) 0.4936(8) 0.3512(9) 0.045(3) Uani 1 d . .
C38 C 0.2785(36) 0.5651(25) 0.3394(26) 0.197(20) Uiso 1 d . .
H38A H 0.2654(36) 0.5738(25) 0.2864(26) 0.080 Uiso 1 d R .
H38B H 0.2482(36) 0.6031(25) 0.3655(26) 0.080 Uiso 1 d R .
H38C H 0.3574(36) 0.5617(25) 0.3554(26) 0.080 Uiso 1 d R .
C39 C 0.2476(35) 0.4858(26) 0.4384(21) 0.174(16) Uiso 1 d . .
H39A H 0.2178(35) 0.4445(26) 0.4592(21) 0.080 Uiso 1 d R .
H39B H 0.3276(35) 0.4855(26) 0.4497(21) 0.080 Uiso 1 d R .
H39C H 0.2184(35) 0.5269(26) 0.4598(21) 0.080 Uiso 1 d R .
C40 C 0.0961(25) 0.4855(17) 0.3488(17) 0.111(9) Uiso 1 d . .
H40A H 0.0803(25) 0.4681(17) 0.3963(17) 0.080 Uiso 1 d R .
H40B H 0.0612(25) 0.5308(17) 0.3408(17) 0.080 Uiso 1 d R .
Ru4 Ru -0.55127(10) 0.13453(6) -0.14682(6) 0.0449(3) Uani 1 d . .
O41 O -0.6787(9) 0.1738(5) -0.2176(5) 0.047(2) Uani 1 d . .
O42 O -0.6364(9) 0.0459(5) -0.1348(5) 0.044(2) Uani 1 d . .
O43 O -0.4777(11) 0.3006(6) -0.0113(6) 0.061(3) Uani 1 d . .
O44 O -0.4206(10) 0.1754(6) 0.0669(5) 0.057(3) Uani 1 d . .
O45 O -0.6689(10) 0.1501(7) -0.1014(6) 0.062(3) Uiso 1 d . .
N41 N -0.4492(14) 0.1187(12) -0.1911(10) 0.085(5) Uani 1 d . .
N42 N -0.5481(12) 0.2320(7) -0.1119(6) 0.052(3) Uani 1 d . .
N43 N -0.5082(11) 0.1178(7) -0.0386(7) 0.051(3) Uani 1 d . .
C41 C -0.6530(19) 0.2444(13) -0.2284(13) 0.081(6) Uiso 1 d . .
H41A H -0.7188(19) 0.2671(13) -0.2531(13) 0.080 Uiso 1 d R .
H41B H -0.5974(19) 0.2464(13) -0.2618(13) 0.080 Uiso 1 d R .
C42 C -0.6116(14) 0.2856(8) -0.1604(8) 0.050(4) Uani 1 d . .
C43 C -0.7045(25) 0.3131(18) -0.1192(17) 0.115(9) Uiso 1 d . .
H43A H -0.7481(25) 0.2737(18) -0.1065(17) 0.080 Uiso 1 d R .
H43B H -0.6717(25) 0.3362(18) -0.0742(17) 0.080 Uiso 1 d R .
H43C H -0.7518(25) 0.3455(18) -0.1496(17) 0.080 Uiso 1 d R .
C44 C -0.5367(25) 0.3450(15) -0.1776(15) 0.120(11) Uani 1 d . .
H44A H -0.5835(25) 0.3769(15) -0.2090(15) 0.080 Uiso 1 d R .
H44B H -0.5051(25) 0.3688(15) -0.1327(15) 0.080 Uiso 1 d R .
H44C H -0.4777(25) 0.3284(15) -0.2039(15) 0.080 Uiso 1 d R .
C45 C -0.4963(12) 0.2443(9) -0.0415(8) 0.046(3) Uani 1 d . .
C46 C -0.4695(11) 0.1720(8) 0.0033(8) 0.047(3) Uani 1 d . .
C47 C -0.5131(14) 0.0449(8) -0.0141(9) 0.051(4) Uani 1 d . .
C48 C -0.5389(23) 0.0372(11) 0.0712(12) 0.088(7) Uani 1 d . .
H48A H -0.4762(23) 0.0532(11) 0.1055(12) 0.080 Uiso 1 d R .
H48B H -0.6034(23) 0.0650(11) 0.0773(12) 0.080 Uiso 1 d R .
H48C H -0.5537(23) -0.0113(11) 0.0814(12) 0.080 Uiso 1 d R .
C49 C -0.4142(24) 0.0069(16) -0.0322(15) 0.110(9) Uani 1 d . .
H49A H -0.4025(24) 0.0137(16) -0.0834(15) 0.080 Uiso 1 d R .
H49B H -0.3494(24) 0.0224(16) 0.0005(15) 0.080 Uiso 1 d R .
H49C H -0.4267(24) -0.0422(16) -0.0236(15) 0.080 Uiso 1 d R .
C50 C -0.6194(18) 0.0175(11) -0.0636(11) 0.073(5) Uani 1 d . .
H50A H -0.6155(18) -0.0327(11) -0.0673(11) 0.080 Uiso 1 d R .
H50B H -0.6828(18) 0.0291(11) -0.0390(11) 0.080 Uiso 1 d R .
Ru5A Ru 0.06302(12) 0.10531(8) -0.03260(8) 0.0396(3) Uiso 0.75 d P .
O55B O 0.06302(12) 0.10531(8) -0.03260(8) 0.0396(3) Uiso 0.25 d P .
O51 O 0.0832(9) 0.0027(6) -0.0303(6) 0.055(3) Uiso 1 d . .
O52 O 0.0095(7) 0.1061(5) -0.1410(5) 0.042(2) Uiso 1 d . .
O53 O -0.1152(8) 0.1249(5) 0.1417(5) 0.044(2) Uiso 1 d . .
O54 O -0.1711(9) 0.2309(6) 0.0384(6) 0.049(2) Uiso 1 d . .
O55A O -0.0645(3) 0.0623(2) -0.0642(2) 0.0445(8) Uiso 0.75 d P .
Ru5B Ru -0.0645(3) 0.0623(2) -0.0642(2) 0.0445(8) Uiso 0.25 d P .
N51A N 0.1813(16) 0.1422(11) -0.0203(11) 0.063(5) Uiso 0.75 d P .
N51B N -0.1597(38) 0.0113(25) -0.1074(25) 0.041(10) Uiso 0.25 d P .
N52A N 0.0081(13) 0.0839(8) 0.0631(9) 0.041(3) Uiso 0.75 d P .
N52B N -0.0631(29) 0.0620(20) 0.0468(20) 0.024(7) Uiso 0.25 d P .
N53A N -0.0522(12) 0.1767(8) -0.0348(8) 0.035(3) Uiso 0.75 d P .
N53B N -0.1188(27) 0.1600(19) -0.0518(17) 0.019(6) Uiso 0.25 d P .
C51 C 0.1098(21) -0.0208(14) 0.0438(14) 0.089(6) Uiso 1 d . .
C52 C 0.0273(14) 0.0099(10) 0.0944(9) 0.056(4) Uiso 1 d . .
C53 C 0.0776(23) 0.0108(16) 0.1722(16) 0.101(8) Uiso 1 d . .
C54 C -0.0776(27) -0.0324(19) 0.0932(18) 0.121(10) Uiso 1 d . .
C55 C -0.0710(13) 0.1279(9) 0.0849(9) 0.052(4) Uiso 1 d . .
C56 C -0.1089(12) 0.1856(8) 0.0256(8) 0.044(3) Uiso 1 d . .
C57 C -0.0988(11) 0.2077(8) -0.1099(7) 0.038(3) Uiso 1 d . .
C58 C -0.0888(25) 0.2887(17) -0.1123(16) 0.109(8) Uiso 1 d . .
C59 C -0.2182(23) 0.1894(16) -0.1357(16) 0.102(8) Uiso 1 d . .
C60 C -0.0312(15) 0.1727(10) -0.1645(10) 0.061(4) Uiso 1 d . .
Na1 Na -0.7757(4) 0.1096(3) -0.3188(3) 0.0349(10) Uani 1 d . .
Na2 Na 0.6286(4) 0.4557(2) 0.3789(3) 0.0288(9) Uani 1 d . .
Na3 Na -0.2619(4) 0.2081(3) 0.1433(2) 0.0363(10) Uani 1 d . .
Na4 Na 0.6352(4) 0.3188(3) 0.2389(3) 0.0329(10) Uani 1 d . .
Na5 Na -0.1457(4) 0.4302(2) 0.2547(3) 0.0313(10) Uani 1 d . .
O1S O -0.1505(7) 0.3011(5) 0.2505(5) 0.038(2) Uani 1 d . .
O2S O -0.6391(7) -0.0473(5) -0.2465(5) 0.034(2) Uani 1 d . .
O3S O 0.6363(7) 0.3299(4) 0.3687(5) 0.032(2) Uani 1 d . .
O4S O -0.3321(7) 0.3249(5) 0.1178(4) 0.035(2) Uani 1 d . .
O5S O 0.1571(7) 0.0484(4) -0.2224(5) 0.032(2) Uani 1 d . .
O6S O 0.6691(8) 0.1936(5) 0.2594(5) 0.040(2) Uani 1 d . .
O7S O 0.8310(6) 0.4418(4) 0.3871(5) 0.033(2) Uani 1 d . .
O8S O -0.1316(8) 0.4019(5) 0.1246(5) 0.041(2) Uani 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
Ru1 0.0385(5) 0.0328(5) 0.0363(5) 0.0095(4) 0.0127(4) -0.0048(4)
O11 0.073(7) 0.044(5) 0.047(5) 0.003(5) 0.036(5) -0.016(5)
O12 0.065(7) 0.036(5) 0.062(6) 0.002(5) 0.044(5) -0.014(5)
O13 0.073(7) 0.018(4) 0.040(5) 0.008(4) 0.009(4) -0.002(4)
O14 0.037(4) 0.036(5) 0.027(4) 0.004(3) 0.014(3) -0.006(4)
N11 0.051(7) 0.065(9) 0.057(8) 0.022(7) 0.015(6) 0.006(6)
N12 0.043(6) 0.053(7) 0.024(5) -0.001(5) 0.010(4) -0.013(5)
N13 0.037(5) 0.022(5) 0.039(5) 0.000(4) 0.011(4) -0.001(4)
C11 0.063(9) 0.053(9) 0.040(7) -0.006(7) 0.015(7) -0.006(8)
C12 0.047(7) 0.041(7) 0.034(7) -0.001(6) 0.013(6) -0.006(6)
C13 0.068(10) 0.058(10) 0.061(10) -0.025(8) 0.026(8) -0.021(8)
C14 0.072(12) 0.077(13) 0.068(11) 0.011(10) 0.002(9) 0.035(10)
C15 0.034(6) 0.042(7) 0.023(5) 0.004(5) 0.003(5) -0.011(5)
C16 0.025(5) 0.035(7) 0.035(6) -0.001(5) 0.014(5) -0.012(5)
C17 0.059(9) 0.027(7) 0.066(10) -0.014(6) 0.030(8) -0.009(6)
C18 0.053(9) 0.072(12) 0.059(9) -0.028(8) 0.017(7) -0.018(8)
C19 0.061(10) 0.062(11) 0.080(12) -0.019(9) 0.044(9) -0.004(8)
C20 0.085(12) 0.032(7) 0.066(10) -0.004(7) 0.034(9) -0.022(8)
Ru2 0.0336(5) 0.0330(5) 0.0358(5) 0.0064(4) 0.0019(4) 0.0079(4)
O21 0.039(4) 0.036(5) 0.031(4) 0.009(4) 0.000(3) 0.008(4)
O22 0.068(6) 0.026(5) 0.036(5) 0.005(4) -0.007(4) 0.012(4)
O23 0.038(4) 0.024(4) 0.036(4) 0.008(3) 0.000(4) 0.010(4)
O24 0.045(5) 0.058(6) 0.028(4) -0.003(4) -0.014(4) 0.017(5)
N21 0.033(6) 0.087(11) 0.048(7) 0.000(7) -0.001(5) 0.005(6)
N22 0.043(6) 0.037(6) 0.036(6) 0.000(5) -0.009(4) 0.011(5)
N23 0.057(7) 0.035(6) 0.031(5) 0.006(5) -0.004(5) 0.022(5)
C21 0.040(6) 0.038(7) 0.042(7) 0.011(6) 0.017(5) 0.010(6)
C22 0.032(6) 0.026(6) 0.028(6) -0.001(5) 0.002(4) -0.005(5)
C23 0.065(10) 0.035(8) 0.063(10) 0.006(7) 0.011(8) 0.008(7)
C24 0.039(7) 0.050(8) 0.056(8) 0.006(7) 0.009(6) 0.012(6)
C25 0.037(6) 0.025(6) 0.034(6) 0.005(5) -0.002(5) 0.005(5)
C26 0.050(7) 0.028(6) 0.025(6) 0.010(5) 0.006(5) 0.014(5)
C27 0.067(9) 0.030(7) 0.030(6) 0.001(5) -0.002(6) 0.011(6)
C28 0.078(12) 0.032(8) 0.110(16) 0.003(9) 0.008(11) 0.013(8)
C29 0.110(15) 0.079(13) 0.039(8) 0.008(8) 0.025(9) 0.042(12)
C30 0.061(9) 0.042(8) 0.042(8) 0.005(6) 0.002(6) 0.013(7)
Ru3 0.0276(5) 0.0447(6) 0.0476(6) -0.0068(5) 0.0053(4) -0.0012(4)
O31 0.022(4) 0.048(5) 0.056(6) -0.018(5) 0.000(4) -0.004(4)
O32 0.027(4) 0.034(5) 0.079(7) -0.025(5) 0.010(4) 0.000(4)
O33 0.023(4) 0.080(8) 0.063(6) -0.017(6) 0.012(4) 0.001(5)
O34 0.023(4) 0.061(6) 0.060(6) -0.009(5) -0.003(4) -0.003(4)
N31 0.056(8) 0.076(11) 0.064(9) 0.005(8) 0.012(7) -0.016(7)
N32 0.024(5) 0.061(8) 0.053(7) -0.015(6) 0.003(5) 0.010(5)
N33 0.033(6) 0.042(7) 0.079(9) -0.031(6) 0.016(6) 0.000(5)
C31 0.041(7) 0.038(7) 0.057(9) -0.017(7) -0.005(6) 0.002(6)
C32 0.032(6) 0.045(7) 0.044(7) -0.015(6) 0.006(5) -0.004(6)
C33 0.102(15) 0.074(13) 0.057(11) 0.010(10) 0.011(10) -0.016(12)
C34 0.065(10) 0.060(10) 0.046(8) -0.015(7) 0.014(7) 0.026(8)
C35 0.011(5) 0.061(9) 0.060(8) -0.026(7) 0.002(5) -0.003(5)
C36 0.014(5) 0.044(7) 0.053(8) -0.009(6) 0.002(5) 0.000(5)
C37 0.033(7) 0.038(7) 0.066(9) -0.028(7) 0.010(6) -0.005(6)
Ru4 0.0483(6) 0.0485(7) 0.0364(6) -0.0136(5) -0.0001(5) -0.0086(5)
O41 0.064(6) 0.039(5) 0.031(4) -0.007(4) -0.022(4) -0.007(4)
O42 0.060(6) 0.028(5) 0.041(5) -0.008(4) -0.006(4) -0.003(4)
O43 0.087(9) 0.038(6) 0.050(6) -0.008(5) -0.023(6) -0.017(6)
O44 0.069(7) 0.057(7) 0.036(5) 0.004(5) -0.020(5) -0.017(5)
N41 0.077(10) 0.110(15) 0.071(10) -0.031(10) 0.021(8) 0.006(10)
N42 0.080(9) 0.051(7) 0.021(5) -0.006(5) -0.011(5) -0.024(7)
N43 0.066(8) 0.040(7) 0.044(7) -0.009(5) -0.008(6) -0.002(6)
C42 0.071(10) 0.041(8) 0.034(7) -0.001(6) -0.014(7) -0.003(7)
C44 0.154(25) 0.112(22) 0.089(17) 0.056(16) -0.007(16) -0.055(20)
C45 0.046(8) 0.059(9) 0.032(7) -0.002(7) -0.003(6) -0.006(7)
C46 0.034(7) 0.051(9) 0.052(8) -0.006(7) -0.009(6) -0.016(6)
C47 0.060(9) 0.040(8) 0.047(8) 0.003(6) -0.012(7) -0.004(7)
C48 0.144(21) 0.044(10) 0.073(13) -0.001(9) 0.001(13) -0.025(12)
C49 0.127(22) 0.104(20) 0.096(18) 0.017(16) 0.009(16) 0.036(18)
C50 0.082(13) 0.060(11) 0.067(11) -0.011(9) -0.026(10) -0.016(10)
Na1 0.032(2) 0.041(3) 0.031(2) -0.006(2) 0.001(2) -0.005(2)
Na2 0.025(2) 0.030(2) 0.032(2) -0.008(2) 0.008(2) -0.002(2)
Na3 0.036(2) 0.045(3) 0.028(2) -0.001(2) 0.006(2) 0.012(2)
Na4 0.033(2) 0.037(3) 0.030(2) -0.003(2) 0.008(2) 0.003(2)
Na5 0.031(2) 0.027(2) 0.037(2) 0.006(2) 0.006(2) 0.005(2)
O1S 0.024(4) 0.039(5) 0.047(5) 0.024(4) -0.005(4) 0.000(4)
O2S 0.028(4) 0.043(5) 0.029(4) -0.005(4) -0.002(3) 0.006(4)
O3S 0.030(4) 0.029(4) 0.036(4) 0.003(3) 0.005(3) -0.008(3)
O4S 0.035(4) 0.040(5) 0.026(4) -0.002(4) -0.006(3) 0.005(4)
O5S 0.033(4) 0.024(4) 0.037(4) -0.005(3) 0.003(3) -0.004(3)
O6S 0.043(5) 0.043(5) 0.037(5) 0.008(4) 0.012(4) -0.010(4)
O7S 0.025(4) 0.030(4) 0.041(5) 0.008(4) 0.002(3) -0.002(3)
O8S 0.052(5) 0.033(5) 0.040(5) 0.009(4) 0.011(4) -0.007(4)

_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
Ru1 N11 1.618(14) . ?
Ru1 N12 1.954(13) . ?
Ru1 O12 1.963(10) . ?
Ru1 O11 1.969(9) . ?
Ru1 N13 1.998(10) . ?
O11 C11 1.46(2) . ?
O12 C20 1.46(2) . ?
O13 C15 1.23(2) . ?
O13 Na2 2.289(10) 2_646 ?
O14 C16 1.239(14) . ?
O14 Na1 2.441(9) 1_656 ?
O14 Na2 2.525(10) 2_646 ?
N12 C15 1.36(2) . ?
N12 C12 1.48(2) . ?
N13 C16 1.33(2) . ?
N13 C17 1.51(2) . ?
C11 C12 1.55(2) . ?
C12 C13 1.47(2) . ?
C12 C14 1.54(2) . ?
C15 C16 1.55(2) . ?
C15 Na2 3.072(13) 2_646 ?
C17 C18 1.42(2) . ?
C17 C19 1.53(2) . ?
C17 C20 1.54(2) . ?
Ru2 N21 1.567(13) . ?
Ru2 O25 1.866(7) . ?
Ru2 O21 1.960(8) . ?
Ru2 N23 1.984(11) . ?
Ru2 N22 1.992(11) . ?
Ru2 O22 1.993(9) . ?
O21 C21 1.434(15) . ?
O22 C30 1.43(2) . ?
O23 C25 1.244(14) . ?
O23 Na1 2.531(9) . ?
O24 C26 1.20(2) . ?
O24 Na1 2.368(10) . ?
N22 C25 1.33(2) . ?
N22 C22 1.47(2) . ?
N23 C26 1.34(2) . ?
N23 C27 1.47(2) . ?
C21 C22 1.56(2) . ?
C22 C24 1.50(2) . ?
C22 C23 1.55(2) . ?
C25 C26 1.56(2) . ?
C27 C28 1.51(2) . ?
C27 C29 1.55(2) . ?
C27 C30 1.55(2) . ?
Ru3 N31 1.602(15) . ?
Ru3 O35 1.868(6) . ?
Ru3 O32 1.966(9) . ?
Ru3 N33 1.969(12) . ?
Ru3 N32 1.974(11) . ?
Ru3 O31 1.991(9) . ?
O31 C31 1.44(2) . ?
O32 C40 1.50(3) . ?
O32 Na5 2.324(10) . ?
O33 C35 1.214(15) . ?
O33 Na4 2.280(10) . ?
O34 C36 1.20(2) . ?
O34 Na2 2.312(10) . ?
N32 C35 1.38(2) . ?
N32 C32 1.49(2) . ?
N33 C36 1.36(2) . ?
N33 C37 1.48(2) . ?
C31 C32 1.52(2) . ?
C32 C33 1.52(2) . ?
C32 C34 1.52(2) . ?
C35 C36 1.55(2) . ?
C37 C40 1.45(3) . ?
C37 C38 1.58(5) . ?
C37 C39 1.57(4) . ?
Ru4 N41 1.59(2) . ?
Ru4 O45 1.758(11) . ?
Ru4 N42 1.956(13) . ?
Ru4 N43 1.974(12) . ?
Ru4 O42 2.001(10) . ?
Ru4 O41 2.005(9) . ?
O41 C41 1.40(3) . ?
O41 Na1 2.369(9) . ?
O42 C50 1.38(2) . ?
O43 C45 1.21(2) . ?
O44 C46 1.22(2) . ?
O44 Na3 2.290(11) . ?
N42 C45 1.36(2) . ?
N42 C42 1.49(2) . ?
N43 C46 1.32(2) . ?
N43 C47 1.46(2) . ?
C41 C42 1.48(3) . ?
C42 C44 1.51(3) . ?
C42 C43 1.52(3) . ?
C45 C46 1.60(2) . ?
C47 C49 1.47(3) . ?
C47 C50 1.55(2) . ?
C47 C48 1.62(3) . ?
Ru5A N51A 1.58(2) . ?
Ru5A Ru5B 1.769(4) . ?
Ru5A O55A 1.769(4) . ?
Ru5A N53A 1.940(14) . ?
Ru5A O51 1.966(12) . ?
Ru5A N52A 1.97(2) . ?
Ru5A O52 1.972(9) . ?
Ru5A N52B 2.37(4) . ?
Ru5A N53B 2.41(3) . ?
O55B N51A 1.58(2) . ?
O55B O55A 1.769(4) . ?
O55B Ru5B 1.769(4) . ?
O51 C51 1.40(3) . ?
O51 Ru5B 2.133(12) . ?
O52 C60 1.40(2) . ?
O52 Ru5B 1.933(10) . ?
O53 C55 1.22(2) . ?
O53 Na3 2.378(11) . ?
O54 C56 1.19(2) . ?
O54 Na3 2.350(11) . ?
O55A N51B 1.62(5) . ?
Ru5B N51B 1.62(5) . ?
Ru5B N53B 1.99(3) . ?
Ru5B N52B 2.00(4) . ?
Ru5B N53A 2.238(15) . ?
Ru5B N52A 2.38(2) . ?
N52A N52B 0.97(4) . ?
N52A C55 1.37(2) . ?
N52A C52 1.52(2) . ?
N52B C55 1.44(4) . ?
N52B C52 1.63(4) . ?
N53A N53B 0.88(3) . ?
N53A C56 1.37(2) . ?
N53A C57 1.51(2) . ?
N53B C57 1.43(4) . ?
N53B C56 1.47(3) . ?
N53B C59 1.88(4) . ?
C51 C52 1.55(3) . ?
C52 C53 1.45(3) . ?
C52 C54 1.50(4) . ?
C55 C56 1.55(2) . ?
C55 Na3 3.07(2) . ?
C56 Na3 3.025(15) . ?
C57 C59 1.50(3) . ?
C57 C60 1.51(2) . ?
C57 C58 1.55(3) . ?
Na1 O5S 2.327(10) 1_455 ?
Na1 O14 2.441(9) 1_454 ?
Na1 Na2 3.660(7) 2_545 ?
Na1 Na5 3.763(7) 2_445 ?
Na2 O13 2.289(10) 2_656 ?
Na2 O3S 2.402(9) . ?
Na2 O2S 2.406(9) 2 ?
Na2 O7S 2.443(9) . ?
Na2 O14 2.525(10) 2_656 ?
Na2 C15 3.072(13) 2_656 ?
Na2 Na4 3.633(6) . ?
Na2 Na1 3.660(7) 2 ?
Na2 Na5 3.783(6) 1_655 ?
Na3 O6S 2.369(9) 1_455 ?
Na3 O4S 2.399(10) . ?
Na3 O1S 2.822(11) . ?
Na3 Na4 3.085(7) 1_455 ?
Na4 O4S 2.272(9) 1_655 ?
Na4 O3S 2.345(9) . ?
Na4 O6S 2.434(11) . ?
Na4 O2S 2.550(11) 2 ?
Na4 O1S 2.591(9) 1_655 ?
Na4 Na3 3.085(7) 1_655 ?
Na4 Na5 3.371(7) 1_655 ?
Na5 O5S 2.321(9) 2 ?
Na5 O8S 2.433(10) . ?
Na5 O7S 2.449(10) 1_455 ?
Na5 O1S 2.454(10) . ?
Na5 O2S 2.618(9) 2_455 ?
Na5 Na4 3.371(7) 1_455 ?
Na5 Na1 3.763(7) 2_455 ?
Na5 Na2 3.783(6) 1_455 ?
O1S Na4 2.591(9) 1_455 ?
O2S Na2 2.406(9) 2_545 ?
O2S Na4 2.550(11) 2_545 ?
O2S Na5 2.618(9) 2_445 ?
O4S Na4 2.272(9) 1_455 ?
O5S Na5 2.321(9) 2_545 ?
O5S Na1 2.327(10) 1_655 ?
O6S Na3 2.369(9) 1_655 ?
O7S Na5 2.449(10) 1_655 ?

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
N11 Ru1 N12 107.8(6) . . ?
N11 Ru1 O12 110.8(6) . . ?
N12 Ru1 O12 141.0(5) . . ?
N11 Ru1 O11 108.2(6) . . ?
N12 Ru1 O11 80.6(4) . . ?
O12 Ru1 O11 92.3(4) . . ?
N11 Ru1 N13 108.6(6) . . ?
N12 Ru1 N13 81.7(4) . . ?
O12 Ru1 N13 81.4(4) . . ?
O11 Ru1 N13 142.5(5) . . ?
C11 O11 Ru1 107.3(8) . . ?
C20 O12 Ru1 106.6(8) . . ?
C15 O13 Na2 118.6(8) . 2_646 ?
C16 O14 Na1 140.8(8) . 1_656 ?
C16 O14 Na2 111.6(8) . 2_646 ?
Na1 O14 Na2 94.9(3) 1_656 2_646 ?
C15 N12 C12 123.1(12) . . ?
C15 N12 Ru1 116.6(9) . . ?
C12 N12 Ru1 119.3(8) . . ?
C16 N13 C17 126.8(10) . . ?
C16 N13 Ru1 116.1(8) . . ?
C17 N13 Ru1 115.7(8) . . ?
O11 C11 C12 110.9(11) . . ?
C13 C12 N12 112.7(11) . . ?
C13 C12 C14 111.2(15) . . ?
N12 C12 C14 109.9(12) . . ?
C13 C12 C11 109.6(13) . . ?
N12 C12 C11 102.1(11) . . ?
C14 C12 C11 111.0(13) . . ?
O13 C15 N12 127.3(13) . . ?
O13 C15 C16 120.5(10) . . ?
N12 C15 C16 112.2(11) . . ?
O13 C15 Na2 40.8(6) . 2_646 ?
N12 C15 Na2 165.3(10) . 2_646 ?
C16 C15 Na2 80.1(6) . 2_646 ?
O14 C16 N13 128.6(11) . . ?
O14 C16 C15 118.4(11) . . ?
N13 C16 C15 112.8(10) . . ?
C18 C17 N13 110.9(13) . . ?
C18 C17 C19 113.5(14) . . ?
N13 C17 C19 109.5(12) . . ?
C18 C17 C20 111.8(14) . . ?
N13 C17 C20 103.6(12) . . ?
C19 C17 C20 107.1(14) . . ?
O12 C20 C17 111.0(13) . . ?
N21 Ru2 O25 174.3(5) . . ?
N21 Ru2 O21 110.9(5) . . ?
O25 Ru2 O21 63.8(3) . . ?
N21 Ru2 N23 109.5(6) . . ?
O25 Ru2 N23 76.0(4) . . ?
O21 Ru2 N23 139.4(5) . . ?
N21 Ru2 N22 109.0(7) . . ?
O25 Ru2 N22 73.0(4) . . ?
O21 Ru2 N22 81.5(4) . . ?
N23 Ru2 N22 81.5(4) . . ?
N21 Ru2 O22 108.8(7) . . ?
O25 Ru2 O22 70.0(4) . . ?
O21 Ru2 O22 90.1(4) . . ?
N23 Ru2 O22 81.0(4) . . ?
N22 Ru2 O22 141.8(5) . . ?
C21 O21 Ru2 114.9(7) . . ?
C30 O22 Ru2 106.0(8) . . ?
C25 O23 Na1 112.1(8) . . ?
C26 O24 Na1 119.5(8) . . ?
C25 N22 C22 130.5(10) . . ?
C25 N22 Ru2 114.8(9) . . ?
C22 N22 Ru2 114.7(7) . . ?
C26 N23 C27 124.6(12) . . ?
C26 N23 Ru2 116.7(9) . . ?
C27 N23 Ru2 116.5(8) . . ?
O21 C21 C22 112.3(9) . . ?
N22 C22 C24 115.1(10) . . ?
N22 C22 C23 107.5(11) . . ?
C24 C22 C23 111.0(11) . . ?
N22 C22 C21 102.8(10) . . ?
C24 C22 C21 110.9(10) . . ?
C23 C22 C21 109.0(10) . . ?
O23 C25 N22 127.2(12) . . ?
O23 C25 C26 118.8(10) . . ?
N22 C25 C26 114.0(10) . . ?
O24 C26 N23 129.0(12) . . ?
O24 C26 C25 119.4(11) . . ?
N23 C26 C25 111.5(10) . . ?
N23 C27 C28 110.3(13) . . ?
N23 C27 C29 110.5(12) . . ?
C28 C27 C29 112.2(15) . . ?
N23 C27 C30 103.4(11) . . ?
C28 C27 C30 108.7(13) . . ?
C29 C27 C30 111.4(13) . . ?
O22 C30 C27 110.2(11) . . ?
N31 Ru3 O35 174.5(6) . . ?
N31 Ru3 O32 111.3(7) . . ?
O35 Ru3 O32 64.6(4) . . ?
N31 Ru3 N33 110.1(7) . . ?
O35 Ru3 N33 73.2(5) . . ?
O32 Ru3 N33 79.6(4) . . ?
N31 Ru3 N32 111.6(7) . . ?
O35 Ru3 N32 72.8(4) . . ?
O32 Ru3 N32 136.9(5) . . ?
N33 Ru3 N32 81.9(5) . . ?
N31 Ru3 O31 109.1(6) . . ?
O35 Ru3 O31 68.1(4) . . ?
O32 Ru3 O31 90.0(4) . . ?
N33 Ru3 O31 140.6(5) . . ?
N32 Ru3 O31 80.3(4) . . ?
C31 O31 Ru3 106.9(7) . . ?
C40 O32 Ru3 108.7(13) . . ?
C40 O32 Na5 120.3(13) . . ?
Ru3 O32 Na5 123.3(4) . . ?
C35 O33 Na4 147.2(10) . . ?
C36 O34 Na2 150.0(10) . . ?
C35 N32 C32 123.7(11) . . ?
C35 N32 Ru3 115.1(9) . . ?
C32 N32 Ru3 118.4(8) . . ?
C36 N33 C37 125.1(11) . . ?
C36 N33 Ru3 116.7(9) . . ?
C37 N33 Ru3 118.0(8) . . ?
O31 C31 C32 111.4(11) . . ?
N32 C32 C33 110.1(14) . . ?
N32 C32 C31 101.5(10) . . ?
C33 C32 C31 110.5(14) . . ?
N32 C32 C34 111.2(12) . . ?
C33 C32 C34 111.3(14) . . ?
C31 C32 C34 111.8(13) . . ?
O33 C35 N32 127.5(13) . . ?
O33 C35 C36 119.2(11) . . ?
N32 C35 C36 113.4(10) . . ?
O34 C36 N33 127.9(13) . . ?
O34 C36 C35 121.0(11) . . ?
N33 C36 C35 111.0(10) . . ?
C40 C37 N33 106.3(16) . . ?
C40 C37 C38 125.3(24) . . ?
N33 C37 C38 118.1(20) . . ?
C40 C37 C39 97.2(21) . . ?
N33 C37 C39 106.2(21) . . ?
C38 C37 C39 99.2(25) . . ?
C37 C40 O32 112.6(22) . . ?
N41 Ru4 O45 177.1(7) . . ?
N41 Ru4 N42 111.1(9) . . ?
O45 Ru4 N42 70.9(6) . . ?
N41 Ru4 N43 110.3(8) . . ?
O45 Ru4 N43 71.9(6) . . ?
N42 Ru4 N43 81.0(5) . . ?
N41 Ru4 O42 109.9(8) . . ?
O45 Ru4 O42 68.4(5) . . ?
N42 Ru4 O42 138.7(5) . . ?
N43 Ru4 O42 80.1(5) . . ?
N41 Ru4 O41 109.4(8) . . ?
O45 Ru4 O41 68.5(5) . . ?
N42 Ru4 O41 80.3(4) . . ?
N43 Ru4 O41 139.9(5) . . ?
O42 Ru4 O41 91.2(4) . . ?
C41 O41 Ru4 106.3(11) . . ?
C41 O41 Na1 119.0(11) . . ?
Ru4 O41 Na1 123.7(5) . . ?
C50 O42 Ru4 114.5(9) . . ?
C46 O44 Na3 147.2(11) . . ?
C45 N42 C42 124.6(13) . . ?
C45 N42 Ru4 116.8(11) . . ?
C42 N42 Ru4 118.3(8) . . ?
C46 N43 C47 126.4(13) . . ?
C46 N43 Ru4 117.6(11) . . ?
C47 N43 Ru4 115.8(9) . . ?
O41 C41 C42 116.7(18) . . ?
N42 C42 C41 102.4(14) . . ?
N42 C42 C44 111.0(16) . . ?
C41 C42 C44 111.8(18) . . ?
N42 C42 C43 107.7(16) . . ?
C41 C42 C43 113.4(18) . . ?
C44 C42 C43 110.3(21) . . ?
O43 C45 N42 127.4(15) . . ?
O43 C45 C46 121.4(12) . . ?
N42 C45 C46 111.0(13) . . ?
O44 C46 N43 131.8(15) . . ?
O44 C46 C45 117.8(13) . . ?
N43 C46 C45 110.4(12) . . ?
N43 C47 C49 109.5(17) . . ?
N43 C47 C50 102.1(13) . . ?
C49 C47 C50 110.1(18) . . ?
N43 C47 C48 113.2(14) . . ?
C49 C47 C48 115.7(17) . . ?
C50 C47 C48 105.3(16) . . ?
O42 C50 C47 114.3(16) . . ?
N51A Ru5A Ru5B 169.1(7) . . ?
N51A Ru5A O55A 169.1(7) . . ?
Ru5B Ru5A O55A 0.0(3) . . ?
N51A Ru5A N53A 108.9(9) . . ?
Ru5B Ru5A N53A 74.1(4) . . ?
O55A Ru5A N53A 74.1(4) . . ?
N51A Ru5A O51 109.3(8) . . ?
Ru5B Ru5A O51 69.4(3) . . ?
O55A Ru5A O51 69.4(3) . . ?
N53A Ru5A O51 141.4(5) . . ?
N51A Ru5A N52A 111.9(8) . . ?
Ru5B Ru5A N52A 78.8(5) . . ?
O55A Ru5A N52A 78.8(5) . . ?
N53A Ru5A N52A 80.6(6) . . ?
O51 Ru5A N52A 80.4(6) . . ?
N51A Ru5A O52 107.7(8) . . ?
Ru5B Ru5A O52 61.9(3) . . ?
O55A Ru5A O52 61.9(3) . . ?
N53A Ru5A O52 80.6(5) . . ?
O51 Ru5A O52 92.9(4) . . ?
N52A Ru5A O52 139.8(5) . . ?
N51A Ru5A N52B 135.4(11) . . ?
Ru5B Ru5A N52B 55.4(9) . . ?
O55A Ru5A N52B 55.4(9) . . ?
N53A Ru5A N52B 74.8(10) . . ?
O51 Ru5A N52B 74.4(10) . . ?
N52A Ru5A N52B 23.4(9) . . ?
O52 Ru5A N52B 116.6(9) . . ?
N51A Ru5A N53B 128.1(11) . . ?
Ru5B Ru5A N53B 54.3(8) . . ?
O55A Ru5A N53B 54.3(8) . . ?
N53A Ru5A N53B 19.8(9) . . ?
O51 Ru5A N53B 122.6(9) . . ?
N52A Ru5A N53B 78.9(9) . . ?
O52 Ru5A N53B 71.6(8) . . ?
N52B Ru5A N53B 65.8(12) . . ?
N51A O55B O55A 169.1(7) . . ?
N51A O55B Ru5B 169.1(7) . . ?
O55A O55B Ru5B 0.0(3) . . ?
C51 O51 Ru5A 110.3(13) . . ?
C51 O51 Ru5B 121.1(12) . . ?
Ru5A O51 Ru5B 50.9(3) . . ?
C60 O52 Ru5B 115.3(9) . . ?
C60 O52 Ru5A 111.1(9) . . ?
Ru5B O52 Ru5A 53.9(3) . . ?
C55 O53 Na3 113.0(10) . . ?
C56 O54 Na3 113.5(10) . . ?
N51B O55A Ru5A 164.1(16) . . ?
N51B O55A O55B 164.1(16) . . ?
Ru5A O55A O55B 0.00(14) . . ?
N51B Ru5B Ru5A 164.1(16) . . ?
N51B Ru5B O55B 164.1(16) . . ?
Ru5A Ru5B O55B 0.00(14) . . ?
N51B Ru5B O52 106.4(16) . . ?
Ru5A Ru5B O52 64.2(3) . . ?
O55B Ru5B O52 64.2(3) . . ?
N51B Ru5B N53B 112.9(19) . . ?
Ru5A Ru5B N53B 79.5(10) . . ?
O55B Ru5B N53B 79.5(10) . . ?
O52 Ru5B N53B 82.5(10) . . ?
N51B Ru5B N52B 112.8(19) . . ?
Ru5A Ru5B N52B 77.8(10) . . ?
O55B Ru5B N52B 77.8(10) . . ?
O52 Ru5B N52B 140.8(11) . . ?
N53B Ru5B N52B 81.3(14) . . ?
N51B Ru5B O51 109.4(17) . . ?
Ru5A Ru5B O51 59.7(3) . . ?
O55B Ru5B O51 59.7(3) . . ?
O52 Ru5B O51 89.1(4) . . ?
N53B Ru5B O51 137.6(10) . . ?
N52B Ru5B O51 79.5(11) . . ?
N51B Ru5B N53A 135.7(17) . . ?
Ru5A Ru5B N53A 56.5(4) . . ?
O55B Ru5B N53A 56.5(4) . . ?
O52 Ru5B N53A 74.3(5) . . ?
N53B Ru5B N53A 23.1(9) . . ?
N52B Ru5B N53A 76.9(11) . . ?
O51 Ru5B N53A 115.0(5) . . ?
N51B Ru5B N52A 135.3(17) . . ?
Ru5A Ru5B N52A 54.4(4) . . ?
O55B Ru5B N52A 54.4(4) . . ?
O52 Ru5B N52A 118.0(5) . . ?
N53B Ru5B N52A 79.3(10) . . ?
N52B Ru5B N52A 23.5(10) . . ?
O51 Ru5B N52A 68.3(5) . . ?
N53A Ru5B N52A 66.4(5) . . ?
O55B N51A Ru5A 0.0(2) . . ?
Ru5B N51B O55A 0.0(4) . . ?
N52B N52A C55 73.9(25) . . ?
N52B N52A C52 78.4(25) . . ?
C55 N52A C52 122.5(14) . . ?
N52B N52A Ru5A 102.3(24) . . ?
C55 N52A Ru5A 117.1(12) . . ?
C52 N52A Ru5A 117.5(11) . . ?
N52B N52A Ru5B 55.5(22) . . ?
C55 N52A Ru5B 101.6(10) . . ?
C52 N52A Ru5B 102.5(10) . . ?
Ru5A N52A Ru5B 46.8(3) . . ?
N52A N52B C55 66.0(24) . . ?
N52A N52B C52 66.1(23) . . ?
C55 N52B C52 111.2(24) . . ?
N52A N52B Ru5B 101.0(27) . . ?
C55 N52B Ru5B 118.9(23) . . ?
C52 N52B Ru5B 116.3(20) . . ?
N52A N52B Ru5A 54.3(20) . . ?
C55 N52B Ru5A 94.3(19) . . ?
C52 N52B Ru5A 95.1(17) . . ?
Ru5B N52B Ru5A 46.8(8) . . ?
N53B N53A C56 77.9(24) . . ?
N53B N53A C57 67.5(24) . . ?
C56 N53A C57 119.7(13) . . ?
N53B N53A Ru5A 112.0(26) . . ?
C56 N53A Ru5A 120.2(11) . . ?
C57 N53A Ru5A 118.1(9) . . ?
N53B N53A Ru5B 62.5(24) . . ?
C56 N53A Ru5B 106.5(10) . . ?
C57 N53A Ru5B 99.3(9) . . ?
Ru5A N53A Ru5B 49.5(4) . . ?
N53A N53B C57 77.9(26) . . ?
N53A N53B C56 66.1(23) . . ?
C57 N53B C56 119.0(26) . . ?
N53A N53B C59 128.8(32) . . ?
C57 N53B C59 51.5(14) . . ?
C56 N53B C59 128.7(23) . . ?
N53A N53B Ru5B 94.4(26) . . ?
C57 N53B Ru5B 114.8(19) . . ?
C56 N53B Ru5B 115.5(20) . . ?
C59 N53B Ru5B 111.8(19) . . ?
N53A N53B Ru5A 48.2(20) . . ?
C57 N53B Ru5A 97.9(17) . . ?
C56 N53B Ru5A 92.9(16) . . ?
C59 N53B Ru5A 135.5(17) . . ?
Ru5B N53B Ru5A 46.2(7) . . ?
O51 C51 C52 110.9(18) . . ?
C53 C52 C54 105.3(20) . . ?
C53 C52 N52A 111.7(17) . . ?
C54 C52 N52A 113.9(18) . . ?
C53 C52 C51 110.7(18) . . ?
C54 C52 C51 113.5(20) . . ?
N52A C52 C51 102.0(15) . . ?
C53 C52 N52B 131.7(21) . . ?
C54 C52 N52B 79.3(20) . . ?
N52A C52 N52B 35.4(14) . . ?
C51 C52 N52B 110.9(19) . . ?
O53 C55 N52A 127.9(16) . . ?
O53 C55 N52B 115.1(19) . . ?
N52A C55 N52B 40.2(15) . . ?
O53 C55 C56 119.2(14) . . ?
N52A C55 C56 112.8(13) . . ?
N52B C55 C56 108.6(18) . . ?
O53 C55 Na3 45.6(8) . . ?
N52A C55 Na3 171.9(12) . . ?
N52B C55 Na3 134.3(17) . . ?
C56 C55 Na3 73.7(8) . . ?
O54 C56 N53A 129.8(14) . . ?
O54 C56 N53B 116.9(18) . . ?
N53A C56 N53B 35.9(13) . . ?
O54 C56 C55 121.0(13) . . ?
N53A C56 C55 109.0(13) . . ?
N53B C56 C55 113.4(18) . . ?
O54 C56 Na3 45.4(7) . . ?
N53A C56 Na3 172.2(11) . . ?
N53B C56 Na3 137.2(15) . . ?
C55 C56 Na3 76.7(8) . . ?
N53B C57 C59 80.2(18) . . ?
N53B C57 N53A 34.7(13) . . ?
C59 C57 N53A 114.5(15) . . ?
N53B C57 C60 110.8(18) . . ?
C59 C57 C60 106.1(15) . . ?
N53A C57 C60 103.9(12) . . ?
N53B C57 C58 132.4(20) . . ?
C59 C57 C58 107.4(18) . . ?
N53A C57 C58 113.1(15) . . ?
C60 C57 C58 111.7(16) . . ?
C57 C59 N53B 48.4(14) . . ?
O52 C60 C57 113.5(14) . . ?
O5S Na1 O24 98.7(4) 1_455 . ?
O5S Na1 O41 82.5(4) 1_455 . ?
O24 Na1 O41 95.9(4) . . ?
O5S Na1 O14 136.1(4) 1_455 1_454 ?
O24 Na1 O14 121.3(4) . 1_454 ?
O41 Na1 O14 108.2(4) . 1_454 ?
O5S Na1 O23 105.1(3) 1_455 . ?
O24 Na1 O23 68.4(3) . . ?
O41 Na1 O23 163.2(4) . . ?
O14 Na1 O23 76.9(3) 1_454 . ?
O5S Na1 Na2 93.1(3) 1_455 2_545 ?
O24 Na1 Na2 147.7(3) . 2_545 ?
O41 Na1 Na2 115.5(3) . 2_545 ?
O14 Na1 Na2 43.4(2) 1_454 2_545 ?
O23 Na1 Na2 79.6(2) . 2_545 ?
O5S Na1 Na5 35.9(2) 1_455 2_445 ?
O24 Na1 Na5 116.3(3) . 2_445 ?
O41 Na1 Na5 110.5(3) . 2_445 ?
O14 Na1 Na5 104.1(3) 1_454 2_445 ?
O23 Na1 Na5 82.9(2) . 2_445 ?
Na2 Na1 Na5 61.26(13) 2_545 2_445 ?
O13 Na2 O34 106.7(4) 2_656 . ?
O13 Na2 O3S 103.2(4) 2_656 . ?
O34 Na2 O3S 88.9(4) . . ?
O13 Na2 O2S 172.6(4) 2_656 2 ?
O34 Na2 O2S 75.4(4) . 2 ?
O3S Na2 O2S 83.8(3) . 2 ?
O13 Na2 O7S 96.1(4) 2_656 . ?
O34 Na2 O7S 156.8(4) . . ?
O3S Na2 O7S 81.2(3) . . ?
O2S Na2 O7S 82.6(3) 2 . ?
O13 Na2 O14 70.0(3) 2_656 2_656 ?
O34 Na2 O14 99.9(4) . 2_656 ?
O3S Na2 O14 170.1(4) . 2_656 ?
O2S Na2 O14 102.7(3) 2 2_656 ?
O7S Na2 O14 92.2(3) . 2_656 ?
O13 Na2 C15 20.5(3) 2_656 2_656 ?
O34 Na2 C15 104.3(4) . 2_656 ?
O3S Na2 C15 123.8(4) . 2_656 ?
O2S Na2 C15 152.4(4) 2 2_656 ?
O7S Na2 C15 98.7(3) . 2_656 ?
O14 Na2 C15 49.7(3) 2_656 2_656 ?
O13 Na2 Na4 142.7(3) 2_656 . ?
O34 Na2 Na4 77.8(3) . . ?
O3S Na2 Na4 39.5(2) . . ?
O2S Na2 Na4 44.4(2) 2 . ?
O7S Na2 Na4 81.3(2) . . ?
O14 Na2 Na4 146.9(3) 2_656 . ?
C15 Na2 Na4 163.2(3) 2_656 . ?
O13 Na2 Na1 104.3(3) 2_656 2 ?
O34 Na2 Na1 112.0(3) . 2 ?
O3S Na2 Na1 138.4(3) . 2 ?
O2S Na2 Na1 68.5(2) 2 2 ?
O7S Na2 Na1 65.4(2) . 2 ?
O14 Na2 Na1 41.6(2) 2_656 2 ?
C15 Na2 Na1 86.8(3) 2_656 2 ?
Na4 Na2 Na1 108.1(2) . 2 ?
O13 Na2 Na5 135.3(3) 2_656 1_655 ?
O34 Na2 Na5 118.0(3) . 1_655 ?
O3S Na2 Na5 77.8(2) . 1_655 ?
O2S Na2 Na5 43.3(2) 2 1_655 ?
O7S Na2 Na5 39.4(2) . 1_655 ?
O14 Na2 Na5 101.8(2) 2_656 1_655 ?
C15 Na2 Na5 133.5(3) 2_656 1_655 ?
Na4 Na2 Na5 54.02(12) . 1_655 ?
Na1 Na2 Na5 60.71(12) 2 1_655 ?
O44 Na3 O54 90.6(4) . . ?
O44 Na3 O6S 97.7(4) . 1_455 ?
O54 Na3 O6S 171.6(4) . 1_455 ?
O44 Na3 O53 112.1(4) . . ?
O54 Na3 O53 71.5(4) . . ?
O6S Na3 O53 106.5(4) 1_455 . ?
O44 Na3 O4S 83.7(4) . . ?
O54 Na3 O4S 82.4(4) . . ?
O6S Na3 O4S 96.9(4) 1_455 . ?
O53 Na3 O4S 149.1(4) . . ?
O44 Na3 O1S 149.9(4) . . ?
O54 Na3 O1S 101.8(4) . . ?
O6S Na3 O1S 70.2(3) 1_455 . ?
O53 Na3 O1S 97.9(3) . . ?
O4S Na3 O1S 71.0(3) . . ?
O44 Na3 C56 94.7(4) . . ?
O54 Na3 C56 21.1(4) . . ?
O6S Na3 C56 157.4(4) 1_455 . ?
O53 Na3 C56 51.0(4) . . ?
O4S Na3 C56 103.3(4) . . ?
O1S Na3 C56 106.7(4) . . ?
O44 Na3 C55 105.4(5) . . ?
O54 Na3 C55 50.3(4) . . ?
O6S Na3 C55 128.0(4) 1_455 . ?
O53 Na3 C55 21.5(4) . . ?
O4S Na3 C55 131.1(4) . . ?
O1S Na3 C55 103.6(4) . . ?
C56 Na3 C55 29.6(4) . . ?
O44 Na3 Na4 98.8(4) . 1_455 ?
O54 Na3 Na4 126.2(4) . 1_455 ?
O6S Na3 Na4 51.0(3) 1_455 1_455 ?
O53 Na3 Na4 144.8(3) . 1_455 ?
O4S Na3 Na4 46.9(2) . 1_455 ?
O1S Na3 Na4 51.8(2) . 1_455 ?
C56 Na3 Na4 144.9(4) . 1_455 ?
C55 Na3 Na4 155.4(4) . 1_455 ?
O4S Na4 O33 96.7(4) 1_655 . ?
O4S Na4 O3S 166.9(4) 1_655 . ?
O33 Na4 O3S 91.3(4) . . ?
O4S Na4 O6S 98.5(4) 1_655 . ?
O33 Na4 O6S 113.9(4) . . ?
O3S Na4 O6S 87.7(3) . . ?
O4S Na4 O2S 89.7(3) 1_655 2 ?
O33 Na4 O2S 77.0(4) . 2 ?
O3S Na4 O2S 81.9(3) . 2 ?
O6S Na4 O2S 165.1(4) . 2 ?
O4S Na4 O1S 77.4(3) 1_655 1_655 ?
O33 Na4 O1S 171.4(4) . 1_655 ?
O3S Na4 O1S 93.5(3) . 1_655 ?
O6S Na4 O1S 73.5(3) . 1_655 ?
O2S Na4 O1S 96.5(3) 2 1_655 ?
O4S Na4 Na3 50.5(3) 1_655 1_655 ?
O33 Na4 Na3 122.0(3) . 1_655 ?
O3S Na4 Na3 132.0(3) . 1_655 ?
O6S Na4 Na3 49.1(2) . 1_655 ?
O2S Na4 Na3 134.8(3) 2 1_655 ?
O1S Na4 Na3 58.9(3) 1_655 1_655 ?
O4S Na4 Na5 79.2(3) 1_655 1_655 ?
O33 Na4 Na5 126.8(4) . 1_655 ?
O3S Na4 Na5 87.7(2) . 1_655 ?
O6S Na4 Na5 119.2(3) . 1_655 ?
O2S Na4 Na5 50.2(2) 2 1_655 ?
O1S Na4 Na5 46.4(2) 1_655 1_655 ?
Na3 Na4 Na5 96.0(2) 1_655 1_655 ?
O4S Na4 Na2 130.7(3) 1_655 . ?
O33 Na4 Na2 80.3(3) . . ?
O3S Na4 Na2 40.6(2) . . ?
O6S Na4 Na2 127.9(3) . . ?
O2S Na4 Na2 41.3(2) 2 . ?
O1S Na4 Na2 98.7(3) 1_655 . ?
Na3 Na4 Na2 157.6(2) 1_655 . ?
Na5 Na4 Na2 65.27(14) 1_655 . ?
O32 Na5 O5S 92.3(4) . 2 ?
O32 Na5 O8S 93.6(4) . . ?
O5S Na5 O8S 88.9(3) 2 . ?
O32 Na5 O7S 89.2(4) . 1_455 ?
O5S Na5 O7S 98.4(3) 2 1_455 ?
O8S Na5 O7S 172.0(4) . 1_455 ?
O32 Na5 O1S 94.4(3) . . ?
O5S Na5 O1S 163.7(4) 2 . ?
O8S Na5 O1S 75.8(3) . . ?
O7S Na5 O1S 96.6(3) 1_455 . ?
O32 Na5 O2S 163.1(4) . 2_455 ?
O5S Na5 O2S 78.6(3) 2 2_455 ?
O8S Na5 O2S 100.4(3) . 2_455 ?
O7S Na5 O2S 78.3(3) 1_455 2_455 ?
O1S Na5 O2S 98.2(3) . 2_455 ?
O32 Na5 Na4 143.1(3) . 1_455 ?
O5S Na5 Na4 124.6(3) 2 1_455 ?
O8S Na5 Na4 86.4(3) . 1_455 ?
O7S Na5 Na4 86.9(2) 1_455 1_455 ?
O1S Na5 Na4 49.8(2) . 1_455 ?
O2S Na5 Na4 48.4(2) 2_455 1_455 ?
O32 Na5 Na1 99.2(3) . 2_455 ?
O5S Na5 Na1 36.0(2) 2 2_455 ?
O8S Na5 Na1 123.3(3) . 2_455 ?
O7S Na5 Na1 63.4(2) 1_455 2_455 ?
O1S Na5 Na1 155.4(3) . 2_455 ?
O2S Na5 Na1 65.1(2) 2_455 2_455 ?
Na4 Na5 Na1 111.6(2) 1_455 2_455 ?
O32 Na5 Na2 128.0(3) . 1_455 ?
O5S Na5 Na2 90.1(3) 2 1_455 ?
O8S Na5 Na2 138.4(3) . 1_455 ?
O7S Na5 Na2 39.3(2) 1_455 1_455 ?
O1S Na5 Na2 97.5(3) . 1_455 ?
O2S Na5 Na2 39.1(2) 2_455 1_455 ?
Na4 Na5 Na2 60.71(12) 1_455 1_455 ?
Na1 Na5 Na2 58.02(12) 2_455 1_455 ?
Na5 O1S Na4 83.8(3) . 1_455 ?
Na5 O1S Na3 130.8(4) . . ?
Na4 O1S Na3 69.3(2) 1_455 . ?
Na2 O2S Na4 94.2(3) 2_545 2_545 ?
Na2 O2S Na5 97.6(3) 2_545 2_445 ?
Na4 O2S Na5 81.4(3) 2_545 2_445 ?
Na4 O3S Na2 99.9(3) . . ?
Na4 O4S Na3 82.6(3) 1_455 . ?
Na5 O5S Na1 108.1(4) 2_545 1_655 ?
Na3 O6S Na4 79.9(3) 1_655 . ?
Na2 O7S Na5 101.3(3) . 1_655 ?

_refine_diff_density_max         1.346
_refine_diff_density_min         -1.720
_refine_diff_density_rms         0.144