# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ax0487_IP353

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H29 N2 O3 P Ru'
_chemical_formula_weight         477.49

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'
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           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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'

_cell_length_a                   12.1519(4)
_cell_length_b                   13.1631(4)
_cell_length_c                   13.3186(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.585(1)
_cell_angle_gamma                90.00
_cell_volume                     2100.66(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9891
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      28.79

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             984
_exptl_absorpt_coefficient_mu    0.844
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.934
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'curved graphite'
_diffrn_measurement_device_type  'Bruker Kappa APEX II Duo'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            37175
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0122
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.10
_diffrn_reflns_theta_max         28.00
_reflns_number_total             5075
_reflns_number_gt                4702
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2011)'
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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)+(0.0204P)²+1.1349P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5075
_refine_ls_number_parameters     245
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0195
_refine_ls_R_factor_gt           0.0172
_refine_ls_wR_factor_ref         0.0457
_refine_ls_wR_factor_gt          0.0439
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.002
_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 1.15912(11) 0.62291(10) 0.15496(10) 0.0206(3) Uani 1 1 d . . .
H1 H 1.2098 0.6150 0.2169 0.025 Uiso 1 1 calc R . .
C2 C 1.17372(11) 0.58559(10) 0.06319(10) 0.0207(3) Uani 1 1 d . . .
H2 H 1.2356 0.5473 0.0491 0.025 Uiso 1 1 calc R . .
C3 C 1.01375(10) 0.66751(9) 0.04603(9) 0.0158(2) Uani 1 1 d . . .
C4 C 0.90406(11) 0.71196(10) 0.00136(9) 0.0187(2) Uani 1 1 d . . .
H4A H 0.8515 0.6572 -0.0257 0.022 Uiso 1 1 calc R . .
H4B H 0.9131 0.7580 -0.0555 0.022 Uiso 1 1 calc R . .
C5 C 1.05914(12) 0.59026(11) -0.11403(10) 0.0222(3) Uani 1 1 d . . .
H5A H 0.9928 0.5469 -0.1287 0.033 Uiso 1 1 calc R . .
H5B H 1.1234 0.5545 -0.1330 0.033 Uiso 1 1 calc R . .
H5C H 1.0462 0.6534 -0.1532 0.033 Uiso 1 1 calc R . .
C6 C 0.70031(10) 0.74212(9) 0.08094(10) 0.0157(2) Uani 1 1 d . . .
H6 H 0.6699 0.7493 0.0068 0.019 Uiso 1 1 calc R . .
C7 C 0.68999(11) 0.63047(10) 0.11059(11) 0.0219(3) Uani 1 1 d . . .
H7A H 0.7341 0.5876 0.0708 0.026 Uiso 1 1 calc R . .
H7B H 0.7207 0.6216 0.1837 0.026 Uiso 1 1 calc R . .
C8 C 0.56798(13) 0.59626(11) 0.09041(12) 0.0290(3) Uani 1 1 d . . .
H8A H 0.5399 0.5985 0.0163 0.035 Uiso 1 1 calc R . .
H8B H 0.5632 0.5251 0.1133 0.035 Uiso 1 1 calc R . .
C9 C 0.49460(12) 0.66294(12) 0.14513(12) 0.0304(3) Uani 1 1 d . . .
H9A H 0.4156 0.6426 0.1249 0.036 Uiso 1 1 calc R . .
H9B H 0.5152 0.6530 0.2196 0.036 Uiso 1 1 calc R . .
C10 C 0.50760(11) 0.77444(12) 0.11965(12) 0.0258(3) Uani 1 1 d . . .
H10A H 0.4642 0.8164 0.1608 0.031 Uiso 1 1 calc R . .
H10B H 0.4770 0.7859 0.0469 0.031 Uiso 1 1 calc R . .
C11 C 0.62956(11) 0.80775(10) 0.14056(11) 0.0210(3) Uani 1 1 d . . .
H11A H 0.6586 0.8020 0.2143 0.025 Uiso 1 1 calc R . .
H11B H 0.6351 0.8798 0.1207 0.025 Uiso 1 1 calc R . .
C12 C 0.84722(11) 0.91451(9) 0.04981(10) 0.0173(2) Uani 1 1 d . . .
H12 H 0.9227 0.9236 0.0306 0.021 Uiso 1 1 calc R . .
C13 C 0.76409(12) 0.93180(10) -0.04911(10) 0.0233(3) Uani 1 1 d . . .
H13A H 0.7745 0.8786 -0.0993 0.028 Uiso 1 1 calc R . .
H13B H 0.6869 0.9264 -0.0349 0.028 Uiso 1 1 calc R . .
C14 C 0.78110(14) 1.03645(11) -0.09379(11) 0.0297(3) Uani 1 1 d . . .
H14A H 0.8559 1.0396 -0.1139 0.036 Uiso 1 1 calc R . .
H14B H 0.7246 1.0472 -0.1556 0.036 Uiso 1 1 calc R . .
C15 C 0.77089(14) 1.11980(11) -0.01701(12) 0.0305(3) Uani 1 1 d . . .
H15A H 0.6937 1.1210 -0.0023 0.037 Uiso 1 1 calc R . .
H15B H 0.7860 1.1864 -0.0465 0.037 Uiso 1 1 calc R . .
C16 C 0.85216(12) 1.10362(10) 0.08184(11) 0.0250(3) Uani 1 1 d . . .
H16A H 0.8399 1.1567 0.1315 0.030 Uiso 1 1 calc R . .
H16B H 0.9295 1.1106 0.0685 0.030 Uiso 1 1 calc R . .
C17 C 0.83770(11) 0.99857(10) 0.12777(10) 0.0201(3) Uani 1 1 d . . .
H17A H 0.7638 0.9946 0.1495 0.024 Uiso 1 1 calc R . .
H17B H 0.8956 0.9885 0.1886 0.024 Uiso 1 1 calc R . .
C18 C 0.88332(11) 0.80382(10) 0.33894(10) 0.0200(3) Uani 1 1 d . . .
C19 C 0.96696(11) 0.61663(10) 0.31877(11) 0.0226(3) Uani 1 1 d . . .
C20 C 1.09106(12) 0.84102(11) 0.29547(10) 0.0223(3) Uani 1 1 d . . .
N1 N 1.05869(9) 0.67439(8) 0.14383(8) 0.0168(2) Uani 1 1 d . . .
N2 N 1.08143(9) 0.61394(8) -0.00557(8) 0.0170(2) Uani 1 1 d . . .
O1 O 0.82637(9) 0.83883(9) 0.39086(8) 0.0309(2) Uani 1 1 d . . .
O2 O 0.96983(11) 0.54111(9) 0.36232(11) 0.0445(3) Uani 1 1 d . . .
O3 O 1.16103(10) 0.89536(10) 0.33129(9) 0.0418(3) Uani 1 1 d . . .
P1 P 0.84768(3) 0.78404(2) 0.10227(2) 0.01408(6) Uani 1 1 d . . .
Ru1 Ru 0.972647(8) 0.745684(7) 0.253758(7) 0.01351(4) Uani 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 C2 1.3561(19) . ?
C1 N1 1.3821(16) . ?
C1 H1 0.9500 . ?
C2 N2 1.3761(17) . ?
C2 H2 0.9500 . ?
C3 N1 1.3290(16) . ?
C3 N2 1.3542(15) . ?
C3 C4 1.4862(17) . ?
C4 P1 1.8662(13) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 N2 1.4584(16) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C11 1.5308(17) . ?
C6 C7 1.5324(17) . ?
C6 P1 1.8501(13) . ?
C6 H6 1.0000 . ?
C7 C8 1.5299(19) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.521(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.521(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.5261(18) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C17 1.5348(17) . ?
C12 C13 1.5378(18) . ?
C12 P1 1.8537(13) . ?
C12 H12 1.0000 . ?
C13 C14 1.5282(19) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.519(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.523(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.5340(18) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 O1 1.1528(17) . ?
C18 Ru1 1.8604(13) . ?
C19 O2 1.1484(18) . ?
C19 Ru1 1.9132(14) . ?
C20 O3 1.1521(17) . ?
C20 Ru1 1.9204(14) . ?
N1 Ru1 2.1511(10) . ?
P1 Ru1 2.3688(3) . ?

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
C2 C1 N1 109.07(12) . . ?
C2 C1 H1 125.5 . . ?
N1 C1 H1 125.5 . . ?
C1 C2 N2 106.68(11) . . ?
C1 C2 H2 126.7 . . ?
N2 C2 H2 126.7 . . ?
N1 C3 N2 110.35(11) . . ?
N1 C3 C4 124.07(11) . . ?
N2 C3 C4 125.58(11) . . ?
C3 C4 P1 108.92(9) . . ?
C3 C4 H4A 109.9 . . ?
P1 C4 H4A 109.9 . . ?
C3 C4 H4B 109.9 . . ?
P1 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
N2 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C11 C6 C7 109.29(11) . . ?
C11 C6 P1 111.40(8) . . ?
C7 C6 P1 111.42(9) . . ?
C11 C6 H6 108.2 . . ?
C7 C6 H6 108.2 . . ?
P1 C6 H6 108.2 . . ?
C8 C7 C6 110.83(11) . . ?
C8 C7 H7A 109.5 . . ?
C6 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
C9 C8 C7 111.98(12) . . ?
C9 C8 H8A 109.2 . . ?
C7 C8 H8A 109.2 . . ?
C9 C8 H8B 109.2 . . ?
C7 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C10 C9 C8 111.04(12) . . ?
C10 C9 H9A 109.4 . . ?
C8 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C9 C10 C11 111.74(12) . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10B 109.3 . . ?
C11 C10 H10B 109.3 . . ?
H10A C10 H10B 107.9 . . ?
C10 C11 C6 110.82(11) . . ?
C10 C11 H11A 109.5 . . ?
C6 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C6 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
C17 C12 C13 111.11(10) . . ?
C17 C12 P1 114.12(9) . . ?
C13 C12 P1 114.85(9) . . ?
C17 C12 H12 105.2 . . ?
C13 C12 H12 105.2 . . ?
P1 C12 H12 105.2 . . ?
C14 C13 C12 110.78(11) . . ?
C14 C13 H13A 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
C15 C14 C13 110.94(12) . . ?
C15 C14 H14A 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 108.0 . . ?
C14 C15 C16 111.53(12) . . ?
C14 C15 H15A 109.3 . . ?
C16 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
C16 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
C15 C16 C17 111.70(11) . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16B 109.3 . . ?
C17 C16 H16B 109.3 . . ?
H16A C16 H16B 107.9 . . ?
C16 C17 C12 110.71(11) . . ?
C16 C17 H17A 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
O1 C18 Ru1 178.77(12) . . ?
O2 C19 Ru1 175.37(13) . . ?
O3 C20 Ru1 172.47(12) . . ?
C3 N1 C1 106.44(10) . . ?
C3 N1 Ru1 122.00(8) . . ?
C1 N1 Ru1 131.41(9) . . ?
C3 N2 C2 107.46(10) . . ?
C3 N2 C5 125.85(11) . . ?
C2 N2 C5 126.69(11) . . ?
C6 P1 C12 106.04(6) . . ?
C6 P1 C4 101.52(6) . . ?
C12 P1 C4 100.25(6) . . ?
C6 P1 Ru1 122.28(4) . . ?
C12 P1 Ru1 118.67(4) . . ?
C4 P1 Ru1 104.17(4) . . ?
C18 Ru1 C19 91.18(6) . . ?
C18 Ru1 C20 92.29(6) . . ?
C19 Ru1 C20 122.08(6) . . ?
C18 Ru1 N1 173.51(5) . . ?
C19 Ru1 N1 88.79(5) . . ?
C20 Ru1 N1 93.22(5) . . ?
C18 Ru1 P1 94.32(4) . . ?
C19 Ru1 P1 120.56(4) . . ?
C20 Ru1 P1 116.76(4) . . ?
N1 Ru1 P1 80.13(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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 N2 -0.12(15) . . . . ?
N1 C3 C4 P1 3.69(16) . . . . ?
N2 C3 C4 P1 -176.98(10) . . . . ?
C11 C6 C7 C8 57.67(15) . . . . ?
P1 C6 C7 C8 -178.79(10) . . . . ?
C6 C7 C8 C9 -56.10(16) . . . . ?
C7 C8 C9 C10 53.65(16) . . . . ?
C8 C9 C10 C11 -54.06(16) . . . . ?
C9 C10 C11 C6 57.04(16) . . . . ?
C7 C6 C11 C10 -58.22(14) . . . . ?
P1 C6 C11 C10 178.23(9) . . . . ?
C17 C12 C13 C14 56.31(15) . . . . ?
P1 C12 C13 C14 -172.27(10) . . . . ?
C12 C13 C14 C15 -56.57(16) . . . . ?
C13 C14 C15 C16 56.19(17) . . . . ?
C14 C15 C16 C17 -55.40(17) . . . . ?
C15 C16 C17 C12 54.59(15) . . . . ?
C13 C12 C17 C16 -55.06(14) . . . . ?
P1 C12 C17 C16 173.14(9) . . . . ?
N2 C3 N1 C1 -0.09(14) . . . . ?
C4 C3 N1 C1 179.33(12) . . . . ?
N2 C3 N1 Ru1 -176.14(8) . . . . ?
C4 C3 N1 Ru1 3.29(17) . . . . ?
C2 C1 N1 C3 0.13(15) . . . . ?
C2 C1 N1 Ru1 175.65(9) . . . . ?
N1 C3 N2 C2 0.02(14) . . . . ?
C4 C3 N2 C2 -179.39(12) . . . . ?
N1 C3 N2 C5 179.46(11) . . . . ?
C4 C3 N2 C5 0.1(2) . . . . ?
C1 C2 N2 C3 0.06(14) . . . . ?
C1 C2 N2 C5 -179.38(12) . . . . ?
C11 C6 P1 C12 -63.82(10) . . . . ?
C7 C6 P1 C12 173.84(9) . . . . ?
C11 C6 P1 C4 -168.16(9) . . . . ?
C7 C6 P1 C4 69.50(10) . . . . ?
C11 C6 P1 Ru1 76.73(9) . . . . ?
C7 C6 P1 Ru1 -45.61(10) . . . . ?
C17 C12 P1 C6 91.69(10) . . . . ?
C13 C12 P1 C6 -38.27(11) . . . . ?
C17 C12 P1 C4 -163.04(9) . . . . ?
C13 C12 P1 C4 66.99(10) . . . . ?
C17 C12 P1 Ru1 -50.56(10) . . . . ?
C13 C12 P1 Ru1 179.48(8) . . . . ?
C3 C4 P1 C6 -135.40(9) . . . . ?
C3 C4 P1 C12 115.73(9) . . . . ?
C3 C4 P1 Ru1 -7.54(10) . . . . ?
O1 C18 Ru1 C19 -69(6) . . . . ?
O1 C18 Ru1 C20 169(6) . . . . ?
O1 C18 Ru1 N1 20(6) . . . . ?
O1 C18 Ru1 P1 52(6) . . . . ?
O2 C19 Ru1 C18 -89.5(17) . . . . ?
O2 C19 Ru1 C20 3.9(17) . . . . ?
O2 C19 Ru1 N1 97.0(17) . . . . ?
O2 C19 Ru1 P1 174.8(17) . . . . ?
O3 C20 Ru1 C18 51.1(10) . . . . ?
O3 C20 Ru1 C19 -41.8(11) . . . . ?
O3 C20 Ru1 N1 -132.4(10) . . . . ?
O3 C20 Ru1 P1 147.1(10) . . . . ?
C3 N1 Ru1 C18 24.9(5) . . . . ?
C1 N1 Ru1 C18 -150.1(4) . . . . ?
C3 N1 Ru1 C19 114.70(10) . . . . ?
C1 N1 Ru1 C19 -60.24(12) . . . . ?
C3 N1 Ru1 C20 -123.24(10) . . . . ?
C1 N1 Ru1 C20 61.82(12) . . . . ?
C3 N1 Ru1 P1 -6.62(9) . . . . ?
C1 N1 Ru1 P1 178.44(12) . . . . ?
C6 P1 Ru1 C18 -55.95(6) . . . . ?
C12 P1 Ru1 C18 79.94(6) . . . . ?
C4 P1 Ru1 C18 -169.73(6) . . . . ?
C6 P1 Ru1 C19 37.98(7) . . . . ?
C12 P1 Ru1 C19 173.87(7) . . . . ?
C4 P1 Ru1 C19 -75.80(7) . . . . ?
C6 P1 Ru1 C20 -150.71(7) . . . . ?
C12 P1 Ru1 C20 -14.82(7) . . . . ?
C4 P1 Ru1 C20 95.51(7) . . . . ?
C6 P1 Ru1 N1 120.65(5) . . . . ?
C12 P1 Ru1 N1 -103.45(6) . . . . ?
C4 P1 Ru1 N1 6.87(5) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C15 H15A O2 0.99 3.12 3.985(2) 146.1 2_655

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.387
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.049
_database_code_depnum_ccdc_archive 'CCDC 1003596'
