# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_4237
_database_code_depnum_ccdc_archive 'CCDC 1529097'
_audit_update_record             
;
2017-01-23 deposited with the CCDC.
2017-03-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H42 Cl N2 P Ru'
_chemical_formula_weight         562.12

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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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           ?
_symmetry_space_group_name_H-M   ?

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

_cell_length_a                   12.74606(16)
_cell_length_b                   10.64439(15)
_cell_length_c                   19.7255(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.7804(13)
_cell_angle_gamma                90.00
_cell_volume                     2644.88(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1176
_exptl_absorpt_coefficient_mu    0.772
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8304
_exptl_absorpt_correction_T_max  0.9338
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11464
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.10
_diffrn_reflns_theta_max         26.00
_reflns_number_total             5191
_reflns_number_gt                4576
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0202P)²+1.6657P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5191
_refine_ls_number_parameters     300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0626
_refine_ls_wR_factor_gt          0.0598
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.000
_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
Ru1 Ru 0.812840(14) 0.797776(17) 0.067016(9) 0.00970(6) Uani 1 1 d . . .
Cl1 Cl 0.99362(4) 0.81018(5) 0.03765(3) 0.01437(12) Uani 1 1 d . . .
P1 P 0.76827(4) 0.61988(6) 0.00271(3) 0.01121(13) Uani 1 1 d . . .
N2 N 0.66957(14) 0.86672(18) -0.06474(9) 0.0122(4) Uani 1 1 d . . .
C1 C 0.76215(17) 0.8870(2) -0.02017(11) 0.0107(5) Uani 1 1 d . . .
N1 N 0.80732(14) 0.98842(17) -0.04661(9) 0.0117(4) Uani 1 1 d . . .
H1 H 0.8662 1.0220 -0.0282 0.014 Uiso 1 1 calc R . .
C10 C 0.59282(17) 0.7710(2) -0.05248(12) 0.0137(5) Uani 1 1 d . . .
H10A H 0.5312 0.7771 -0.0878 0.016 Uiso 1 1 calc R . .
H10B H 0.5697 0.7875 -0.0087 0.016 Uiso 1 1 calc R . .
C7 C 0.76004(18) 1.1297(2) -0.15077(11) 0.0135(5) Uani 1 1 d . . .
H7 H 0.8179 1.1836 -0.1416 0.016 Uiso 1 1 calc R . .
C11 C 0.63669(18) 0.6378(2) -0.05194(12) 0.0156(5) Uani 1 1 d . . .
H11A H 0.6430 0.6136 -0.0986 0.019 Uiso 1 1 calc R . .
H11B H 0.5866 0.5809 -0.0356 0.019 Uiso 1 1 calc R . .
C2 C 0.74677(17) 1.0311(2) -0.10688(11) 0.0122(5) Uani 1 1 d . . .
C5 C 0.59624(18) 1.0640(2) -0.22217(12) 0.0144(5) Uani 1 1 d . . .
C6 C 0.68405(18) 1.1457(2) -0.20911(12) 0.0145(5) Uani 1 1 d . . .
C4 C 0.58320(18) 0.9671(2) -0.17691(12) 0.0152(5) Uani 1 1 d . . .
H4 H 0.5250 0.9136 -0.1853 0.018 Uiso 1 1 calc R . .
C3 C 0.65898(18) 0.9520(2) -0.11890(11) 0.0124(5) Uani 1 1 d . . .
C19 C 0.70011(19) 0.7972(2) 0.14049(12) 0.0146(5) Uani 1 1 d . . .
C13 C 0.8592(2) 0.6826(2) -0.11375(12) 0.0194(5) Uani 1 1 d . . .
H13A H 0.7899 0.6950 -0.1398 0.029 Uiso 1 1 calc R . .
H13B H 0.9083 0.6604 -0.1441 0.029 Uiso 1 1 calc R . .
H13C H 0.8822 0.7587 -0.0899 0.029 Uiso 1 1 calc R . .
C12 C 0.85445(18) 0.5767(2) -0.06172(12) 0.0151(5) Uani 1 1 d . . .
H12 H 0.9265 0.5677 -0.0365 0.018 Uiso 1 1 calc R . .
C22 C 0.87638(19) 0.8397(2) 0.17761(12) 0.0163(5) Uani 1 1 d . . .
C15 C 0.75238(18) 0.4749(2) 0.05289(12) 0.0149(5) Uani 1 1 d . . .
H15 H 0.7174 0.5027 0.0912 0.018 Uiso 1 1 calc R . .
C20 C 0.72037(18) 0.9244(2) 0.12150(12) 0.0143(5) Uani 1 1 d . . .
C9 C 0.6982(2) 1.2509(2) -0.25804(12) 0.0203(6) Uani 1 1 d . . .
H9A H 0.7635 1.2941 -0.2424 0.030 Uiso 1 1 calc R . .
H9B H 0.6399 1.3086 -0.2599 0.030 Uiso 1 1 calc R . .
H9C H 0.7001 1.2170 -0.3029 0.030 Uiso 1 1 calc R . .
C25 C 0.64040(19) 1.0174(2) 0.08770(13) 0.0201(6) Uani 1 1 d . . .
H25A H 0.6696 1.0617 0.0525 0.030 Uiso 1 1 calc R . .
H25B H 0.6232 1.0761 0.1213 0.030 Uiso 1 1 calc R . .
H25C H 0.5773 0.9738 0.0677 0.030 Uiso 1 1 calc R . .
C8 C 0.5151(2) 1.0809(2) -0.28598(12) 0.0214(6) Uani 1 1 d . . .
H8A H 0.4824 1.1621 -0.2850 0.032 Uiso 1 1 calc R . .
H8B H 0.4618 1.0168 -0.2876 0.032 Uiso 1 1 calc R . .
H8C H 0.5495 1.0747 -0.3259 0.032 Uiso 1 1 calc R . .
C21 C 0.83071(19) 0.9507(2) 0.14322(11) 0.0151(5) Uani 1 1 d . . .
C18 C 0.79790(19) 0.7468(2) 0.17761(11) 0.0152(5) Uani 1 1 d . . .
C16 C 0.86251(19) 0.4286(2) 0.08625(13) 0.0186(5) Uani 1 1 d . . .
H16A H 0.8956 0.3839 0.0529 0.028 Uiso 1 1 calc R . .
H16B H 0.8550 0.3737 0.1238 0.028 Uiso 1 1 calc R . .
H16C H 0.9057 0.4992 0.1029 0.028 Uiso 1 1 calc R . .
C26 C 0.8873(2) 1.0727(2) 0.13568(13) 0.0218(6) Uani 1 1 d . . .
H26A H 0.9552 1.0560 0.1222 0.033 Uiso 1 1 calc R . .
H26B H 0.8972 1.1166 0.1787 0.033 Uiso 1 1 calc R . .
H26C H 0.8457 1.1234 0.1014 0.033 Uiso 1 1 calc R . .
C17 C 0.6846(2) 0.3648(2) 0.02038(14) 0.0242(6) Uani 1 1 d . . .
H17A H 0.6175 0.3960 -0.0021 0.036 Uiso 1 1 calc R . .
H17B H 0.6731 0.3062 0.0555 0.036 Uiso 1 1 calc R . .
H17C H 0.7209 0.3236 -0.0126 0.036 Uiso 1 1 calc R . .
C24 C 0.59235(19) 0.7369(2) 0.13773(13) 0.0205(6) Uani 1 1 d . . .
H24A H 0.5403 0.7858 0.1088 0.031 Uiso 1 1 calc R . .
H24B H 0.5741 0.7331 0.1831 0.031 Uiso 1 1 calc R . .
H24C H 0.5942 0.6534 0.1195 0.031 Uiso 1 1 calc R . .
C23 C 0.8090(2) 0.6268(2) 0.21796(12) 0.0221(6) Uani 1 1 d . . .
H23A H 0.7589 0.5662 0.1963 0.033 Uiso 1 1 calc R . .
H23B H 0.7954 0.6426 0.2637 0.033 Uiso 1 1 calc R . .
H23C H 0.8797 0.5947 0.2196 0.033 Uiso 1 1 calc R . .
C14 C 0.8281(2) 0.4525(2) -0.09985(13) 0.0226(6) Uani 1 1 d . . .
H14A H 0.8433 0.3837 -0.0684 0.034 Uiso 1 1 calc R . .
H14B H 0.8702 0.4447 -0.1360 0.034 Uiso 1 1 calc R . .
H14C H 0.7542 0.4513 -0.1190 0.034 Uiso 1 1 calc R . .
C27 C 0.99009(19) 0.8285(3) 0.21130(12) 0.0231(6) Uani 1 1 d . . .
H27A H 1.0147 0.7444 0.2057 0.035 Uiso 1 1 calc R . .
H27B H 0.9951 0.8472 0.2593 0.035 Uiso 1 1 calc R . .
H27C H 1.0330 0.8866 0.1904 0.035 Uiso 1 1 calc R . .


_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 C1 1.984(2) . ?
Ru1 C20 2.179(2) . ?
Ru1 C19 2.191(2) . ?
Ru1 C21 2.204(2) . ?
Ru1 C22 2.253(2) . ?
Ru1 C18 2.284(2) . ?
Ru1 P1 2.3016(6) . ?
Ru1 Cl1 2.4637(6) . ?
P1 C11 1.860(2) . ?
P1 C12 1.860(2) . ?
P1 C15 1.861(2) . ?
N2 C1 1.377(3) . ?
N2 C3 1.393(3) . ?
N2 C10 1.458(3) . ?
C1 N1 1.364(3) . ?
N1 C2 1.391(3) . ?
N1 H1 0.8600 . ?
C10 C11 1.523(3) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C7 C2 1.387(3) . ?
C7 C6 1.397(3) . ?
C7 H7 0.9300 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C2 C3 1.392(3) . ?
C5 C4 1.391(3) . ?
C5 C6 1.410(3) . ?
C5 C8 1.513(3) . ?
C6 C9 1.507(3) . ?
C4 C3 1.389(3) . ?
C4 H4 0.9300 . ?
C19 C20 1.439(3) . ?
C19 C18 1.449(3) . ?
C19 C24 1.509(3) . ?
C13 C12 1.532(3) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C12 C14 1.533(3) . ?
C12 H12 0.9800 . ?
C22 C18 1.406(3) . ?
C22 C21 1.441(3) . ?
C22 C27 1.504(3) . ?
C15 C17 1.536(3) . ?
C15 C16 1.538(3) . ?
C15 H15 0.9800 . ?
C20 C21 1.434(3) . ?
C20 C25 1.502(3) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C21 C26 1.504(3) . ?
C18 C23 1.500(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?

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
C1 Ru1 C20 90.14(9) . . ?
C1 Ru1 C19 114.52(9) . . ?
C20 Ru1 C19 38.45(8) . . ?
C1 Ru1 C21 102.94(9) . . ?
C20 Ru1 C21 38.19(8) . . ?
C19 Ru1 C21 63.95(9) . . ?
C1 Ru1 C22 140.00(9) . . ?
C20 Ru1 C22 62.71(9) . . ?
C19 Ru1 C22 62.30(9) . . ?
C21 Ru1 C22 37.70(9) . . ?
C1 Ru1 C18 151.39(9) . . ?
C20 Ru1 C18 62.97(8) . . ?
C19 Ru1 C18 37.70(8) . . ?
C21 Ru1 C18 62.54(9) . . ?
C22 Ru1 C18 36.11(8) . . ?
C1 Ru1 P1 84.01(6) . . ?
C20 Ru1 P1 132.39(6) . . ?
C19 Ru1 P1 103.33(6) . . ?
C21 Ru1 P1 167.09(6) . . ?
C22 Ru1 P1 135.94(7) . . ?
C18 Ru1 P1 106.35(6) . . ?
C1 Ru1 Cl1 87.88(6) . . ?
C20 Ru1 Cl1 132.73(6) . . ?
C19 Ru1 Cl1 152.49(6) . . ?
C21 Ru1 Cl1 96.77(6) . . ?
C22 Ru1 Cl1 90.35(6) . . ?
C18 Ru1 Cl1 117.04(6) . . ?
P1 Ru1 Cl1 94.33(2) . . ?
C11 P1 C12 101.75(11) . . ?
C11 P1 C15 103.38(10) . . ?
C12 P1 C15 106.39(11) . . ?
C11 P1 Ru1 111.11(8) . . ?
C12 P1 Ru1 117.26(8) . . ?
C15 P1 Ru1 115.26(8) . . ?
C1 N2 C3 111.16(19) . . ?
C1 N2 C10 122.33(18) . . ?
C3 N2 C10 126.44(18) . . ?
N1 C1 N2 104.50(18) . . ?
N1 C1 Ru1 127.55(16) . . ?
N2 C1 Ru1 127.77(17) . . ?
C1 N1 C2 111.96(18) . . ?
C1 N1 H1 124.0 . . ?
C2 N1 H1 124.0 . . ?
N2 C10 C11 113.39(19) . . ?
N2 C10 H10A 108.9 . . ?
C11 C10 H10A 108.9 . . ?
N2 C10 H10B 108.9 . . ?
C11 C10 H10B 108.9 . . ?
H10A C10 H10B 107.7 . . ?
C2 C7 C6 118.1(2) . . ?
C2 C7 H7 120.9 . . ?
C6 C7 H7 120.9 . . ?
C10 C11 P1 113.38(16) . . ?
C10 C11 H11A 108.9 . . ?
P1 C11 H11A 108.9 . . ?
C10 C11 H11B 108.9 . . ?
P1 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C7 C2 N1 132.5(2) . . ?
C7 C2 C3 121.5(2) . . ?
N1 C2 C3 105.93(19) . . ?
C4 C5 C6 120.6(2) . . ?
C4 C5 C8 119.3(2) . . ?
C6 C5 C8 120.1(2) . . ?
C7 C6 C5 120.5(2) . . ?
C7 C6 C9 118.9(2) . . ?
C5 C6 C9 120.7(2) . . ?
C3 C4 C5 118.6(2) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
C4 C3 C2 120.7(2) . . ?
C4 C3 N2 132.9(2) . . ?
C2 C3 N2 106.41(19) . . ?
C20 C19 C18 107.8(2) . . ?
C20 C19 C24 126.1(2) . . ?
C18 C19 C24 124.7(2) . . ?
C20 C19 Ru1 70.32(13) . . ?
C18 C19 Ru1 74.63(13) . . ?
C24 C19 Ru1 131.49(17) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C13 C12 C14 109.53(19) . . ?
C13 C12 P1 111.32(16) . . ?
C14 C12 P1 116.11(17) . . ?
C13 C12 H12 106.4 . . ?
C14 C12 H12 106.4 . . ?
P1 C12 H12 106.4 . . ?
C18 C22 C21 109.9(2) . . ?
C18 C22 C27 125.6(2) . . ?
C21 C22 C27 124.5(2) . . ?
C18 C22 Ru1 73.16(13) . . ?
C21 C22 Ru1 69.30(12) . . ?
C27 C22 Ru1 126.30(17) . . ?
C17 C15 C16 110.62(19) . . ?
C17 C15 P1 120.67(17) . . ?
C16 C15 P1 109.10(16) . . ?
C17 C15 H15 105.0 . . ?
C16 C15 H15 105.0 . . ?
P1 C15 H15 105.0 . . ?
C21 C20 C19 108.2(2) . . ?
C21 C20 C25 124.9(2) . . ?
C19 C20 C25 126.8(2) . . ?
C21 C20 Ru1 71.84(13) . . ?
C19 C20 Ru1 71.24(13) . . ?
C25 C20 Ru1 124.77(16) . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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 . . ?
C20 C21 C22 106.7(2) . . ?
C20 C21 C26 127.0(2) . . ?
C22 C21 C26 126.1(2) . . ?
C20 C21 Ru1 69.97(13) . . ?
C22 C21 Ru1 73.00(13) . . ?
C26 C21 Ru1 124.86(16) . . ?
C22 C18 C19 107.3(2) . . ?
C22 C18 C23 126.1(2) . . ?
C19 C18 C23 126.0(2) . . ?
C22 C18 Ru1 70.73(13) . . ?
C19 C18 Ru1 67.67(12) . . ?
C23 C18 Ru1 133.95(17) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?

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
C1 Ru1 P1 C11 -44.72(11) . . . . ?
C20 Ru1 P1 C11 39.98(12) . . . . ?
C19 Ru1 P1 C11 69.11(11) . . . . ?
C21 Ru1 P1 C11 78.6(3) . . . . ?
C22 Ru1 P1 C11 132.87(12) . . . . ?
C18 Ru1 P1 C11 108.04(11) . . . . ?
Cl1 Ru1 P1 C11 -132.13(9) . . . . ?
C1 Ru1 P1 C12 71.66(10) . . . . ?
C20 Ru1 P1 C12 156.36(12) . . . . ?
C19 Ru1 P1 C12 -174.51(10) . . . . ?
C21 Ru1 P1 C12 -165.0(3) . . . . ?
C22 Ru1 P1 C12 -110.75(12) . . . . ?
C18 Ru1 P1 C12 -135.57(10) . . . . ?
Cl1 Ru1 P1 C12 -15.75(9) . . . . ?
C1 Ru1 P1 C15 -161.88(11) . . . . ?
C20 Ru1 P1 C15 -77.18(12) . . . . ?
C19 Ru1 P1 C15 -48.05(11) . . . . ?
C21 Ru1 P1 C15 -38.5(3) . . . . ?
C22 Ru1 P1 C15 15.71(13) . . . . ?
C18 Ru1 P1 C15 -9.11(11) . . . . ?
Cl1 Ru1 P1 C15 110.71(8) . . . . ?
C3 N2 C1 N1 1.6(2) . . . . ?
C10 N2 C1 N1 -175.61(19) . . . . ?
C3 N2 C1 Ru1 177.10(16) . . . . ?
C10 N2 C1 Ru1 -0.1(3) . . . . ?
C20 Ru1 C1 N1 89.2(2) . . . . ?
C19 Ru1 C1 N1 119.93(19) . . . . ?
C21 Ru1 C1 N1 52.9(2) . . . . ?
C22 Ru1 C1 N1 44.5(3) . . . . ?
C18 Ru1 C1 N1 108.4(2) . . . . ?
P1 Ru1 C1 N1 -138.1(2) . . . . ?
Cl1 Ru1 C1 N1 -43.54(19) . . . . ?
C20 Ru1 C1 N2 -85.3(2) . . . . ?
C19 Ru1 C1 N2 -54.6(2) . . . . ?
C21 Ru1 C1 N2 -121.6(2) . . . . ?
C22 Ru1 C1 N2 -130.01(19) . . . . ?
C18 Ru1 C1 N2 -66.1(3) . . . . ?
P1 Ru1 C1 N2 47.38(19) . . . . ?
Cl1 Ru1 C1 N2 142.0(2) . . . . ?
N2 C1 N1 C2 -0.9(2) . . . . ?
Ru1 C1 N1 C2 -176.42(16) . . . . ?
C1 N2 C10 C11 -63.3(3) . . . . ?
C3 N2 C10 C11 120.0(2) . . . . ?
N2 C10 C11 P1 48.5(2) . . . . ?
C12 P1 C11 C10 -116.34(18) . . . . ?
C15 P1 C11 C10 133.43(18) . . . . ?
Ru1 P1 C11 C10 9.2(2) . . . . ?
C6 C7 C2 N1 178.5(2) . . . . ?
C6 C7 C2 C3 -1.9(3) . . . . ?
C1 N1 C2 C7 179.5(2) . . . . ?
C1 N1 C2 C3 -0.1(3) . . . . ?
C2 C7 C6 C5 0.5(3) . . . . ?
C2 C7 C6 C9 -178.9(2) . . . . ?
C4 C5 C6 C7 0.7(4) . . . . ?
C8 C5 C6 C7 -179.2(2) . . . . ?
C4 C5 C6 C9 -179.9(2) . . . . ?
C8 C5 C6 C9 0.2(3) . . . . ?
C6 C5 C4 C3 -0.5(3) . . . . ?
C8 C5 C4 C3 179.4(2) . . . . ?
C5 C4 C3 C2 -0.9(3) . . . . ?
C5 C4 C3 N2 -179.9(2) . . . . ?
C7 C2 C3 C4 2.1(4) . . . . ?
N1 C2 C3 C4 -178.2(2) . . . . ?
C7 C2 C3 N2 -178.6(2) . . . . ?
N1 C2 C3 N2 1.1(2) . . . . ?
C1 N2 C3 C4 177.4(2) . . . . ?
C10 N2 C3 C4 -5.5(4) . . . . ?
C1 N2 C3 C2 -1.7(3) . . . . ?
C10 N2 C3 C2 175.4(2) . . . . ?
C1 Ru1 C19 C20 -55.23(15) . . . . ?
C21 Ru1 C19 C20 37.69(13) . . . . ?
C22 Ru1 C19 C20 80.12(14) . . . . ?
C18 Ru1 C19 C20 115.74(19) . . . . ?
P1 Ru1 C19 C20 -144.67(12) . . . . ?
Cl1 Ru1 C19 C20 86.79(18) . . . . ?
C1 Ru1 C19 C18 -170.98(13) . . . . ?
C20 Ru1 C19 C18 -115.74(19) . . . . ?
C21 Ru1 C19 C18 -78.06(14) . . . . ?
C22 Ru1 C19 C18 -35.62(13) . . . . ?
P1 Ru1 C19 C18 99.58(13) . . . . ?
Cl1 Ru1 C19 C18 -29.0(2) . . . . ?
C1 Ru1 C19 C24 66.0(2) . . . . ?
C20 Ru1 C19 C24 121.3(3) . . . . ?
C21 Ru1 C19 C24 159.0(3) . . . . ?
C22 Ru1 C19 C24 -158.6(3) . . . . ?
C18 Ru1 C19 C24 -123.0(3) . . . . ?
P1 Ru1 C19 C24 -23.4(2) . . . . ?
Cl1 Ru1 C19 C24 -151.95(16) . . . . ?
C11 P1 C12 C13 63.04(18) . . . . ?
C15 P1 C12 C13 170.95(16) . . . . ?
Ru1 P1 C12 C13 -58.36(18) . . . . ?
C11 P1 C12 C14 -63.18(19) . . . . ?
C15 P1 C12 C14 44.7(2) . . . . ?
Ru1 P1 C12 C14 175.43(14) . . . . ?
C1 Ru1 C22 C18 133.14(16) . . . . ?
C20 Ru1 C22 C18 80.76(15) . . . . ?
C19 Ru1 C22 C18 37.19(14) . . . . ?
C21 Ru1 C22 C18 119.6(2) . . . . ?
P1 Ru1 C22 C18 -43.13(17) . . . . ?
Cl1 Ru1 C22 C18 -139.73(14) . . . . ?
C1 Ru1 C22 C21 13.5(2) . . . . ?
C20 Ru1 C22 C21 -38.86(13) . . . . ?
C19 Ru1 C22 C21 -82.44(15) . . . . ?
C18 Ru1 C22 C21 -119.6(2) . . . . ?
P1 Ru1 C22 C21 -162.76(11) . . . . ?
Cl1 Ru1 C22 C21 100.64(13) . . . . ?
C1 Ru1 C22 C27 -104.7(2) . . . . ?
C20 Ru1 C22 C27 -157.1(2) . . . . ?
C19 Ru1 C22 C27 159.3(2) . . . . ?
C21 Ru1 C22 C27 -118.2(3) . . . . ?
C18 Ru1 C22 C27 122.1(3) . . . . ?
P1 Ru1 C22 C27 79.0(2) . . . . ?
Cl1 Ru1 C22 C27 -17.6(2) . . . . ?
C11 P1 C15 C17 35.5(2) . . . . ?
C12 P1 C15 C17 -71.3(2) . . . . ?
Ru1 P1 C15 C17 156.89(17) . . . . ?
C11 P1 C15 C16 165.15(16) . . . . ?
C12 P1 C15 C16 58.40(18) . . . . ?
Ru1 P1 C15 C16 -73.42(17) . . . . ?
C18 C19 C20 C21 3.1(3) . . . . ?
C24 C19 C20 C21 169.7(2) . . . . ?
Ru1 C19 C20 C21 -62.72(16) . . . . ?
C18 C19 C20 C25 -174.3(2) . . . . ?
C24 C19 C20 C25 -7.7(4) . . . . ?
Ru1 C19 C20 C25 119.9(2) . . . . ?
C18 C19 C20 Ru1 65.78(16) . . . . ?
C24 C19 C20 Ru1 -127.6(2) . . . . ?
C1 Ru1 C20 C21 -111.04(14) . . . . ?
C19 Ru1 C20 C21 117.33(19) . . . . ?
C22 Ru1 C20 C21 38.36(13) . . . . ?
C18 Ru1 C20 C21 79.13(14) . . . . ?
P1 Ru1 C20 C21 166.95(10) . . . . ?
Cl1 Ru1 C20 C21 -23.79(17) . . . . ?
C1 Ru1 C20 C19 131.64(14) . . . . ?
C21 Ru1 C20 C19 -117.33(19) . . . . ?
C22 Ru1 C20 C19 -78.97(14) . . . . ?
C18 Ru1 C20 C19 -38.20(13) . . . . ?
P1 Ru1 C20 C19 49.62(16) . . . . ?
Cl1 Ru1 C20 C19 -141.11(11) . . . . ?
C1 Ru1 C20 C25 9.3(2) . . . . ?
C19 Ru1 C20 C25 -122.3(3) . . . . ?
C21 Ru1 C20 C25 120.4(3) . . . . ?
C22 Ru1 C20 C25 158.7(2) . . . . ?
C18 Ru1 C20 C25 -160.5(2) . . . . ?
P1 Ru1 C20 C25 -72.7(2) . . . . ?
Cl1 Ru1 C20 C25 96.6(2) . . . . ?
C19 C20 C21 C22 -1.9(3) . . . . ?
C25 C20 C21 C22 175.6(2) . . . . ?
Ru1 C20 C21 C22 -64.24(16) . . . . ?
C19 C20 C21 C26 -178.5(2) . . . . ?
C25 C20 C21 C26 -1.0(4) . . . . ?
Ru1 C20 C21 C26 119.1(2) . . . . ?
C19 C20 C21 Ru1 62.33(16) . . . . ?
C25 C20 C21 Ru1 -120.2(2) . . . . ?
C18 C22 C21 C20 0.0(3) . . . . ?
C27 C22 C21 C20 -177.2(2) . . . . ?
Ru1 C22 C21 C20 62.23(15) . . . . ?
C18 C22 C21 C26 176.7(2) . . . . ?
C27 C22 C21 C26 -0.6(4) . . . . ?
Ru1 C22 C21 C26 -121.1(2) . . . . ?
C18 C22 C21 Ru1 -62.22(17) . . . . ?
C27 C22 C21 Ru1 120.5(2) . . . . ?
C1 Ru1 C21 C20 73.27(15) . . . . ?
C19 Ru1 C21 C20 -37.94(13) . . . . ?
C22 Ru1 C21 C20 -115.6(2) . . . . ?
C18 Ru1 C21 C20 -80.34(14) . . . . ?
P1 Ru1 C21 C20 -48.3(3) . . . . ?
Cl1 Ru1 C21 C20 162.64(12) . . . . ?
C1 Ru1 C21 C22 -171.14(14) . . . . ?
C20 Ru1 C21 C22 115.6(2) . . . . ?
C19 Ru1 C21 C22 77.66(15) . . . . ?
C18 Ru1 C21 C22 35.26(13) . . . . ?
P1 Ru1 C21 C22 67.3(3) . . . . ?
Cl1 Ru1 C21 C22 -81.76(13) . . . . ?
C1 Ru1 C21 C26 -48.6(2) . . . . ?
C20 Ru1 C21 C26 -121.8(3) . . . . ?
C19 Ru1 C21 C26 -159.8(2) . . . . ?
C22 Ru1 C21 C26 122.6(3) . . . . ?
C18 Ru1 C21 C26 157.8(2) . . . . ?
P1 Ru1 C21 C26 -170.10(19) . . . . ?
Cl1 Ru1 C21 C26 40.8(2) . . . . ?
C21 C22 C18 C19 1.9(3) . . . . ?
C27 C22 C18 C19 179.1(2) . . . . ?
Ru1 C22 C18 C19 -57.97(16) . . . . ?
C21 C22 C18 C23 -169.2(2) . . . . ?
C27 C22 C18 C23 8.0(4) . . . . ?
Ru1 C22 C18 C23 130.9(2) . . . . ?
C21 C22 C18 Ru1 59.85(16) . . . . ?
C27 C22 C18 Ru1 -123.0(2) . . . . ?
C20 C19 C18 C22 -3.0(3) . . . . ?
C24 C19 C18 C22 -169.9(2) . . . . ?
Ru1 C19 C18 C22 59.90(16) . . . . ?
C20 C19 C18 C23 168.1(2) . . . . ?
C24 C19 C18 C23 1.2(4) . . . . ?
Ru1 C19 C18 C23 -129.0(2) . . . . ?
C20 C19 C18 Ru1 -62.94(15) . . . . ?
C24 C19 C18 Ru1 130.2(2) . . . . ?
C1 Ru1 C18 C22 -101.6(2) . . . . ?
C20 Ru1 C18 C22 -79.98(15) . . . . ?
C19 Ru1 C18 C22 -118.9(2) . . . . ?
C21 Ru1 C18 C22 -36.80(14) . . . . ?
P1 Ru1 C18 C22 150.30(13) . . . . ?
Cl1 Ru1 C18 C22 46.52(15) . . . . ?
C1 Ru1 C18 C19 17.3(3) . . . . ?
C20 Ru1 C18 C19 38.96(13) . . . . ?
C21 Ru1 C18 C19 82.14(14) . . . . ?
C22 Ru1 C18 C19 118.9(2) . . . . ?
P1 Ru1 C18 C19 -90.76(13) . . . . ?
Cl1 Ru1 C18 C19 165.46(11) . . . . ?
C1 Ru1 C18 C23 136.4(2) . . . . ?
C20 Ru1 C18 C23 158.0(3) . . . . ?
C19 Ru1 C18 C23 119.1(3) . . . . ?
C21 Ru1 C18 C23 -158.8(3) . . . . ?
C22 Ru1 C18 C23 -122.0(3) . . . . ?
P1 Ru1 C18 C23 28.3(2) . . . . ?
Cl1 Ru1 C18 C23 -75.5(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.488
_refine_diff_density_rms         0.072
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_s002
_database_code_depnum_ccdc_archive 'CCDC 1529098'
_audit_update_record             
;
2017-01-23 deposited with the CCDC.
2017-03-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H48 N2 Na P Ru'
_chemical_formula_weight         627.76

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'
P P 0.1023 0.0942 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.128(3)
_cell_length_b                   12.566(3)
_cell_length_c                   13.275(4)
_cell_angle_alpha                83.199(5)
_cell_angle_beta                 84.143(5)
_cell_angle_gamma                68.651(4)
_cell_volume                     1559.3(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    163(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             660
_exptl_absorpt_coefficient_mu    0.592
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8759
_exptl_absorpt_correction_T_max  0.9217
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      163(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10097
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_sigmaI/netI    0.0930
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         28.31
_reflns_number_total             6979
_reflns_number_gt                5271
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0717P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6979
_refine_ls_number_parameters     347
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0557
_refine_ls_wR_factor_ref         0.1425
_refine_ls_wR_factor_gt          0.1317
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_restrained_S_all      0.982
_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
C1 C 0.9030(4) 0.3188(3) 0.0469(3) 0.0238(9) Uani 1 1 d . . .
C2 C 0.8001(4) 0.3118(3) -0.0949(3) 0.0255(9) Uani 1 1 d . . .
C3 C 0.7284(4) 0.2925(4) -0.1710(3) 0.0270(9) Uani 1 1 d . . .
H3 H 0.6602 0.2565 -0.1541 0.032 Uiso 1 1 calc R . .
C4 C 0.7570(5) 0.3260(4) -0.2710(3) 0.0284(10) Uani 1 1 d . . .
C5 C 0.8561(5) 0.3812(4) -0.2959(3) 0.0286(10) Uani 1 1 d . . .
C6 C 0.9268(5) 0.4005(4) -0.2202(3) 0.0295(10) Uani 1 1 d . . .
H6 H 0.9930 0.4383 -0.2373 0.035 Uiso 1 1 calc R . .
C7 C 0.9016(4) 0.3646(3) -0.1190(3) 0.0241(9) Uani 1 1 d . . .
C8 C 0.8862(6) 0.4196(4) -0.4044(4) 0.0433(12) Uani 1 1 d . . .
H8A H 0.8284 0.3995 -0.4485 0.065 Uiso 1 1 calc R . .
H8B H 0.9871 0.3813 -0.4240 0.065 Uiso 1 1 calc R . .
H8C H 0.8628 0.5028 -0.4115 0.065 Uiso 1 1 calc R . .
C9 C 0.6872(5) 0.2958(4) -0.3531(4) 0.0370(11) Uani 1 1 d . . .
H9A H 0.7175 0.3248 -0.4198 0.055 Uiso 1 1 calc R . .
H9B H 0.5837 0.3306 -0.3423 0.055 Uiso 1 1 calc R . .
H9C H 0.7150 0.2122 -0.3506 0.055 Uiso 1 1 calc R . .
C10 C 0.7095(5) 0.2361(4) 0.0714(3) 0.0301(10) Uani 1 1 d . . .
H10A H 0.7665 0.1629 0.1080 0.036 Uiso 1 1 calc R . .
H10B H 0.6466 0.2198 0.0278 0.036 Uiso 1 1 calc R . .
C11 C 0.6191(5) 0.3195(4) 0.1483(3) 0.0291(10) Uani 1 1 d . . .
H11A H 0.5508 0.2879 0.1871 0.035 Uiso 1 1 calc R . .
H11B H 0.5643 0.3935 0.1118 0.035 Uiso 1 1 calc R . .
C12 C 0.6640(5) 0.2933(4) 0.3615(3) 0.0300(10) Uani 1 1 d . . .
H12 H 0.7263 0.2966 0.4140 0.036 Uiso 1 1 calc R . .
C13 C 0.6803(6) 0.1680(4) 0.3619(4) 0.0447(13) Uani 1 1 d . . .
H13A H 0.7783 0.1232 0.3399 0.067 Uiso 1 1 calc R . .
H13B H 0.6152 0.1614 0.3154 0.067 Uiso 1 1 calc R . .
H13C H 0.6580 0.1389 0.4308 0.067 Uiso 1 1 calc R . .
C14 C 0.5118(5) 0.3639(4) 0.3965(4) 0.0349(11) Uani 1 1 d . . .
H14A H 0.5019 0.4445 0.3958 0.052 Uiso 1 1 calc R . .
H14B H 0.4901 0.3351 0.4657 0.052 Uiso 1 1 calc R . .
H14C H 0.4459 0.3573 0.3506 0.052 Uiso 1 1 calc R . .
C15 C 0.7038(5) 0.5420(4) 0.3282(4) 0.0378(12) Uani 1 1 d . . .
H15A H 0.6865 0.5002 0.3923 0.057 Uiso 1 1 calc R . .
H15B H 0.6523 0.6244 0.3321 0.057 Uiso 1 1 calc R . .
H15C H 0.8058 0.5274 0.3164 0.057 Uiso 1 1 calc R . .
C16 C 0.6519(5) 0.5015(4) 0.2405(4) 0.0312(10) Uani 1 1 d . . .
H16 H 0.5471 0.5211 0.2531 0.037 Uiso 1 1 calc R . .
C17 C 0.6769(5) 0.5668(4) 0.1411(4) 0.0395(12) Uani 1 1 d . . .
H17A H 0.6427 0.5411 0.0854 0.059 Uiso 1 1 calc R . .
H17B H 0.7788 0.5523 0.1283 0.059 Uiso 1 1 calc R . .
H17C H 0.6255 0.6491 0.1454 0.059 Uiso 1 1 calc R . .
C18 C 1.2010(4) 0.1827(3) 0.1655(3) 0.0261(9) Uani 1 1 d . . .
C19 C 1.1346(5) 0.1050(4) 0.1447(4) 0.0300(10) Uani 1 1 d . . .
C20 C 1.0629(4) 0.0769(3) 0.2343(3) 0.0271(9) Uani 1 1 d . . .
C21 C 1.0839(4) 0.1383(3) 0.3131(3) 0.0260(9) Uani 1 1 d . . .
C22 C 1.1685(4) 0.2025(3) 0.2703(3) 0.0265(9) Uani 1 1 d . . .
C23 C 1.2297(6) 0.2674(4) 0.3271(4) 0.0435(12) Uani 1 1 d . . .
H23A H 1.2839 0.3041 0.2793 0.065 Uiso 1 1 calc R . .
H23B H 1.2928 0.2145 0.3769 0.065 Uiso 1 1 calc R . .
H23C H 1.1528 0.3262 0.3623 0.065 Uiso 1 1 calc R . .
C24 C 1.3119(5) 0.2130(4) 0.0960(4) 0.0404(12) Uani 1 1 d . . .
H24A H 1.3117 0.1902 0.0280 0.061 Uiso 1 1 calc R . .
H24B H 1.4056 0.1726 0.1228 0.061 Uiso 1 1 calc R . .
H24C H 1.2903 0.2959 0.0923 0.061 Uiso 1 1 calc R . .
C25 C 1.1517(6) 0.0550(5) 0.0442(4) 0.0462(13) Uani 1 1 d . . .
H25A H 1.2055 0.0901 -0.0055 0.069 Uiso 1 1 calc R . .
H25B H 1.0579 0.0703 0.0198 0.069 Uiso 1 1 calc R . .
H25C H 1.2029 -0.0281 0.0530 0.069 Uiso 1 1 calc R . .
C26 C 1.0049(5) -0.0191(4) 0.2494(4) 0.0411(12) Uani 1 1 d . . .
H26A H 0.9607 -0.0216 0.3184 0.062 Uiso 1 1 calc R . .
H26B H 1.0825 -0.0922 0.2398 0.062 Uiso 1 1 calc R . .
H26C H 0.9338 -0.0059 0.2000 0.062 Uiso 1 1 calc R . .
C27 C 1.0457(6) 0.1208(4) 0.4247(4) 0.0412(12) Uani 1 1 d . . .
H27A H 0.9867 0.0730 0.4349 0.062 Uiso 1 1 calc R . .
H27B H 0.9928 0.1953 0.4511 0.062 Uiso 1 1 calc R . .
H27C H 1.1326 0.0827 0.4609 0.062 Uiso 1 1 calc R . .
C28 C 0.7402(8) 0.8376(5) 0.3337(6) 0.0654(19) Uani 1 1 d . . .
H28 H 0.8312 0.8007 0.3601 0.079 Uiso 1 1 calc R . .
C29 C 0.6215(9) 0.8817(5) 0.3978(5) 0.069(2) Uani 1 1 d . . .
H29 H 0.6309 0.8778 0.4688 0.083 Uiso 1 1 calc R . .
C30 C 0.4912(7) 0.9308(5) 0.3603(5) 0.0561(16) Uani 1 1 d . . .
H30 H 0.4097 0.9596 0.4053 0.067 Uiso 1 1 calc R . .
C31 C 0.4764(6) 0.9391(4) 0.2583(5) 0.0535(15) Uani 1 1 d . . .
H31 H 0.3852 0.9738 0.2319 0.064 Uiso 1 1 calc R . .
C32 C 0.5956(8) 0.8965(5) 0.1945(5) 0.0613(17) Uani 1 1 d . . .
H32 H 0.5870 0.9014 0.1234 0.074 Uiso 1 1 calc R . .
C33 C 0.7254(7) 0.8474(5) 0.2328(6) 0.067(2) Uani 1 1 d . . .
H33 H 0.8072 0.8195 0.1878 0.080 Uiso 1 1 calc R . .
N1 N 0.9618(4) 0.3704(3) -0.0309(3) 0.0246(8) Uani 1 1 d . . .
N2 N 0.8035(4) 0.2842(3) 0.0084(3) 0.0253(8) Uani 1 1 d . . .
P1 P 0.73406(11) 0.34346(9) 0.23760(8) 0.0224(2) Uani 1 1 d . . .
Ru1 Ru 0.96775(3) 0.27106(3) 0.19054(2) 0.02034(11) Uani 1 1 d . . .
Na Na 1.10285(19) 0.42265(15) 0.07095(14) 0.0323(4) Uani 1 1 d . . .
H H 0.956(4) 0.395(3) 0.202(3) 0.024(11) Uiso 1 1 d . . .


_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
C1 N1 1.355(5) . ?
C1 N2 1.394(5) . ?
C1 Ru1 2.031(4) . ?
C1 Na 2.838(4) . ?
C2 N2 1.375(5) . ?
C2 C3 1.394(6) . ?
C2 C7 1.406(6) . ?
C3 C4 1.379(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.409(6) . ?
C4 C9 1.511(6) . ?
C5 C6 1.382(6) . ?
C5 C8 1.501(6) . ?
C6 C7 1.395(6) . ?
C6 Na 3.065(5) 2_765 ?
C6 H6 0.9500 . ?
C7 N1 1.394(5) . ?
C7 Na 2.805(4) 2_765 ?
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 N2 1.451(5) . ?
C10 C11 1.530(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 P1 1.864(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.522(6) . ?
C12 C14 1.528(6) . ?
C12 P1 1.857(4) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.533(6) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.519(6) . ?
C16 P1 1.857(4) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C22 1.427(6) . ?
C18 C19 1.436(6) . ?
C18 C24 1.508(6) . ?
C18 Ru1 2.223(4) . ?
C18 Na 2.971(4) . ?
C19 C20 1.406(6) . ?
C19 C25 1.510(6) . ?
C19 Ru1 2.258(4) . ?
C20 C21 1.446(6) . ?
C20 C26 1.508(6) . ?
C20 Ru1 2.299(4) . ?
C21 C22 1.415(6) . ?
C21 C27 1.504(6) . ?
C21 Ru1 2.266(4) . ?
C22 C23 1.492(6) . ?
C22 Ru1 2.224(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 Na 2.722(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C33 1.350(9) . ?
C28 C29 1.377(10) . ?
C28 H28 0.9500 . ?
C29 C30 1.356(9) . ?
C29 H29 0.9500 . ?
C30 C31 1.365(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.375(8) . ?
C31 H31 0.9500 . ?
C32 C33 1.355(9) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
N1 Na 2.364(4) . ?
N1 Na 2.445(4) 2_765 ?
P1 Ru1 2.2549(12) . ?
Ru1 Na 2.9596(18) . ?
Ru1 H 1.54(4) . ?
Na N1 2.445(4) 2_765 ?
Na C7 2.805(4) 2_765 ?
Na Na 2.941(4) 2_765 ?
Na C6 3.065(5) 2_765 ?
Na H 2.25(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 N2 108.5(4) . . ?
N1 C1 Ru1 127.5(3) . . ?
N2 C1 Ru1 123.2(3) . . ?
N1 C1 Na 56.0(2) . . ?
N2 C1 Na 164.1(3) . . ?
Ru1 C1 Na 72.73(13) . . ?
N2 C2 C3 134.4(4) . . ?
N2 C2 C7 104.7(4) . . ?
C3 C2 C7 120.7(4) . . ?
C4 C3 C2 119.6(4) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.2(4) . . ?
C3 C4 C9 118.8(4) . . ?
C5 C4 C9 120.9(4) . . ?
C6 C5 C4 120.1(4) . . ?
C6 C5 C8 119.4(4) . . ?
C4 C5 C8 120.5(4) . . ?
C5 C6 C7 120.4(4) . . ?
C5 C6 Na 141.2(3) . 2_765 ?
C7 C6 Na 66.1(2) . 2_765 ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
Na C6 H6 68.0 2_765 . ?
N1 C7 C6 131.1(4) . . ?
N1 C7 C2 109.9(4) . . ?
C6 C7 C2 119.0(4) . . ?
N1 C7 Na 60.7(2) . 2_765 ?
C6 C7 Na 86.9(2) . 2_765 ?
C2 C7 Na 129.9(3) . 2_765 ?
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 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C11 110.7(3) . . ?
N2 C10 H10A 109.5 . . ?
C11 C10 H10A 109.5 . . ?
N2 C10 H10B 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C10 C11 P1 110.5(3) . . ?
C10 C11 H11A 109.6 . . ?
P1 C11 H11A 109.6 . . ?
C10 C11 H11B 109.6 . . ?
P1 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
C13 C12 C14 109.9(4) . . ?
C13 C12 P1 110.1(3) . . ?
C14 C12 P1 116.6(3) . . ?
C13 C12 H12 106.6 . . ?
C14 C12 H12 106.6 . . ?
P1 C12 H12 106.6 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C15 109.8(4) . . ?
C17 C16 P1 113.1(3) . . ?
C15 C16 P1 111.1(3) . . ?
C17 C16 H16 107.5 . . ?
C15 C16 H16 107.5 . . ?
P1 C16 H16 107.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C18 C19 107.1(4) . . ?
C22 C18 C24 126.4(4) . . ?
C19 C18 C24 124.9(4) . . ?
C22 C18 Ru1 71.3(2) . . ?
C19 C18 Ru1 72.7(2) . . ?
C24 C18 Ru1 132.3(3) . . ?
C22 C18 Na 100.4(3) . . ?
C19 C18 Na 120.3(3) . . ?
C24 C18 Na 65.6(2) . . ?
Ru1 C18 Na 67.71(11) . . ?
C20 C19 C18 109.2(4) . . ?
C20 C19 C25 126.4(4) . . ?
C18 C19 C25 124.2(4) . . ?
C20 C19 Ru1 73.6(2) . . ?
C18 C19 Ru1 70.0(2) . . ?
C25 C19 Ru1 126.6(3) . . ?
C19 C20 C21 107.2(4) . . ?
C19 C20 C26 125.2(4) . . ?
C21 C20 C26 126.3(4) . . ?
C19 C20 Ru1 70.5(2) . . ?
C21 C20 Ru1 70.3(2) . . ?
C26 C20 Ru1 134.6(3) . . ?
C22 C21 C20 108.2(4) . . ?
C22 C21 C27 125.1(4) . . ?
C20 C21 C27 125.8(4) . . ?
C22 C21 Ru1 70.0(2) . . ?
C20 C21 Ru1 72.8(2) . . ?
C27 C21 Ru1 131.1(3) . . ?
C21 C22 C18 108.3(4) . . ?
C21 C22 C23 126.1(4) . . ?
C18 C22 C23 125.1(4) . . ?
C21 C22 Ru1 73.3(2) . . ?
C18 C22 Ru1 71.2(2) . . ?
C23 C22 Ru1 127.4(3) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C18 C24 Na 84.0(3) . . ?
C18 C24 H24A 109.5 . . ?
Na C24 H24A 96.6 . . ?
C18 C24 H24B 109.5 . . ?
Na C24 H24B 143.5 . . ?
H24A C24 H24B 109.5 . . ?
C18 C24 H24C 109.5 . . ?
Na C24 H24C 35.4 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C19 C25 H25A 109.5 . . ?
C19 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C19 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C20 C26 H26A 109.5 . . ?
C20 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C20 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C21 C27 H27A 109.5 . . ?
C21 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C21 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C33 C28 C29 119.0(6) . . ?
C33 C28 H28 120.5 . . ?
C29 C28 H28 120.5 . . ?
C30 C29 C28 120.4(6) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 120.5(6) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C30 C31 C32 118.9(6) . . ?
C30 C31 H31 120.6 . . ?
C32 C31 H31 120.6 . . ?
C33 C32 C31 120.3(6) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C28 C33 C32 121.0(6) . . ?
C28 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
C1 N1 C7 106.9(3) . . ?
C1 N1 Na 95.7(3) . . ?
C7 N1 Na 157.3(3) . . ?
C1 N1 Na 125.7(3) . 2_765 ?
C7 N1 Na 89.5(2) . 2_765 ?
Na N1 Na 75.39(12) . 2_765 ?
C2 N2 C1 110.0(3) . . ?
C2 N2 C10 126.0(4) . . ?
C1 N2 C10 123.8(4) . . ?
C12 P1 C16 101.3(2) . . ?
C12 P1 C11 101.2(2) . . ?
C16 P1 C11 100.2(2) . . ?
C12 P1 Ru1 120.57(15) . . ?
C16 P1 Ru1 117.01(15) . . ?
C11 P1 Ru1 113.50(14) . . ?
C1 Ru1 C18 102.92(16) . . ?
C1 Ru1 C22 139.17(16) . . ?
C18 Ru1 C22 37.44(16) . . ?
C1 Ru1 P1 84.62(12) . . ?
C18 Ru1 P1 171.47(11) . . ?
C22 Ru1 P1 135.78(12) . . ?
C1 Ru1 C19 92.40(16) . . ?
C18 Ru1 C19 37.36(15) . . ?
C22 Ru1 C19 61.83(16) . . ?
P1 Ru1 C19 139.71(12) . . ?
C1 Ru1 C21 152.06(16) . . ?
C18 Ru1 C21 61.75(15) . . ?
C22 Ru1 C21 36.72(15) . . ?
P1 Ru1 C21 109.73(11) . . ?
C19 Ru1 C21 60.95(16) . . ?
C1 Ru1 C20 115.96(16) . . ?
C18 Ru1 C20 61.59(15) . . ?
C22 Ru1 C20 61.63(15) . . ?
P1 Ru1 C20 111.66(11) . . ?
C19 Ru1 C20 35.92(15) . . ?
C21 Ru1 C20 36.93(15) . . ?
C1 Ru1 Na 66.32(12) . . ?
C18 Ru1 Na 68.27(11) . . ?
C22 Ru1 Na 84.27(12) . . ?
P1 Ru1 Na 119.09(5) . . ?
C19 Ru1 Na 95.73(12) . . ?
C21 Ru1 Na 120.96(11) . . ?
C20 Ru1 Na 129.01(11) . . ?
C1 Ru1 H 90.1(15) . . ?
C18 Ru1 H 102.0(16) . . ?
C22 Ru1 H 90.5(16) . . ?
P1 Ru1 H 81.8(15) . . ?
C19 Ru1 H 138.5(15) . . ?
C21 Ru1 H 115.1(16) . . ?
C20 Ru1 H 151.0(16) . . ?
Na Ru1 H 48.3(15) . . ?
N1 Na N1 104.61(12) . 2_765 ?
N1 Na C24 97.36(15) . . ?
N1 Na C24 148.11(14) 2_765 . ?
N1 Na C7 132.73(14) . 2_765 ?
N1 Na C7 29.80(12) 2_765 2_765 ?
C24 Na C7 128.76(15) . 2_765 ?
N1 Na C1 28.37(12) . . ?
N1 Na C1 119.23(13) 2_765 . ?
C24 Na C1 90.80(14) . . ?
C7 Na C1 137.62(13) 2_765 . ?
N1 Na Na 53.56(10) . 2_765 ?
N1 Na Na 51.05(10) 2_765 2_765 ?
C24 Na Na 143.99(16) . 2_765 ?
C7 Na Na 79.85(11) 2_765 2_765 ?
C1 Na Na 72.47(11) . 2_765 ?
N1 Na Ru1 68.92(9) . . ?
N1 Na Ru1 135.56(11) 2_765 . ?
C24 Na Ru1 74.00(10) . . ?
C7 Na Ru1 127.53(11) 2_765 . ?
C1 Na Ru1 40.95(9) . . ?
Na Na Ru1 107.73(8) 2_765 . ?
N1 Na C18 87.88(13) . . ?
N1 Na C18 166.37(14) 2_765 . ?
C24 Na C18 30.31(11) . . ?
C7 Na C18 136.64(14) 2_765 . ?
C1 Na C18 69.89(12) . . ?
Na Na C18 141.10(13) 2_765 . ?
Ru1 Na C18 44.02(8) . . ?
N1 Na C6 140.02(14) . 2_765 ?
N1 Na C6 53.45(12) 2_765 2_765 ?
C24 Na C6 118.21(16) . 2_765 ?
C7 Na C6 27.02(11) 2_765 2_765 ?
C1 Na C6 126.81(13) . 2_765 ?
Na Na C6 96.93(12) 2_765 2_765 ?
Ru1 Na C6 102.29(10) . 2_765 ?
C18 Na C6 113.24(13) . 2_765 ?
N1 Na H 85.6(11) . . ?
N1 Na H 107.6(10) 2_765 . ?
C24 Na H 96.7(10) . . ?
C7 Na H 97.1(10) 2_765 . ?
C1 Na H 58.8(11) . . ?
Na Na H 100.9(11) 2_765 . ?
Ru1 Na H 30.7(10) . . ?
C18 Na H 67.3(10) . . ?
C6 Na H 73.4(10) 2_765 . ?

_diffrn_measured_fraction_theta_max 0.898
_diffrn_reflns_theta_full        28.31
_diffrn_measured_fraction_theta_full 0.898
_refine_diff_density_max         0.615
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.116
