# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Kamluddin Abdur-Rashid'
_publ_contact_author_email       KAMAL@KCTCHEM.COM

_publ_section_title              
;
Aminophosphine Ligands R2P(CH2)nNH2 and
Ruthenium Hydrogenation Catalysts RuCl2(R2P(CH2)nNH2)2
;
loop_
_publ_author_name
'Kamluddin Abdur-Rashid'
'Dino Amoroso'
'Xuanhua Chen.'
'Rongwei Guo.'
'Wen-Li Jia.'
;
A.J.Lough
;
'Christine Sui-Seng'

# Attachment 'k07110.cif'

data_k07110
_database_code_depnum_ccdc_archive 'CCDC 733474'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H40 Cl2 N2 P2 Ru'
_chemical_formula_sum            'C16 H40 Cl2 N2 P2 Ru'
_chemical_formula_weight         494.41

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           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   11.4627(3)
_cell_length_b                   13.1649(6)
_cell_length_c                   15.2297(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.992(2)
_cell_angle_gamma                90.00
_cell_volume                     2220.01(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(1)
_cell_measurement_reflns_used    13589
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      27.51

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1032
_exptl_absorpt_coefficient_mu    1.093
# Absorption correction

_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.745
_exptl_absorpt_correction_T_max  0.882
_exptl_absorpt_process_details   
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;

_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  graphite
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method       '\f scans and \w scans with \k offsets'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13589
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_sigmaI/netI    0.0725
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.77
_diffrn_reflns_theta_max         27.51
_reflns_number_total             5063
_reflns_number_gt                3568
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'Collect (Nonius B.V., 1997-2002)'
_computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction        Denzo-SMN
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_computing_structure_refinement  'SHELXTL V6.1(Sheldrick, 2001)'
_computing_molecular_graphics    'SHELXTL V6.1'
_computing_publication_material  'SHELXTL V6.1'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0532P)^2^+0.8121P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5063
_refine_ls_number_parameters     216
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0466
_refine_ls_wR_factor_ref         0.1189
_refine_ls_wR_factor_gt          0.1022
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.079
_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 0.19969(3) 0.04327(2) 0.16186(2) 0.01432(12) Uani 1 1 d . . .
Cl1 Cl 0.31907(9) 0.19527(8) 0.17159(7) 0.0236(2) Uani 1 1 d . . .
Cl2 Cl 0.05780(8) -0.09657(8) 0.11513(7) 0.0188(2) Uani 1 1 d . . .
P1 P 0.14909(9) 0.06364(8) 0.29727(7) 0.0159(2) Uani 1 1 d . . .
P2 P 0.37078(9) -0.05274(8) 0.19291(7) 0.0167(2) Uani 1 1 d . . .
N1 N 0.0469(3) 0.1438(3) 0.1103(2) 0.0168(7) Uani 1 1 d . . .
H1C H 0.0749 0.2091 0.1089 0.020 Uiso 1 1 calc R . .
H1D H 0.0090 0.1253 0.0516 0.020 Uiso 1 1 calc R . .
N2 N 0.2212(3) 0.0432(2) 0.0238(2) 0.0177(7) Uani 1 1 d . . .
H2C H 0.1466 0.0342 -0.0161 0.021 Uiso 1 1 calc R . .
H2D H 0.2494 0.1058 0.0121 0.021 Uiso 1 1 calc R . .
C1 C 0.0249(3) 0.1581(3) 0.2641(3) 0.0211(9) Uani 1 1 d . . .
H1A H -0.0312 0.1502 0.3034 0.025 Uiso 1 1 calc R . .
H1B H 0.0586 0.2277 0.2725 0.025 Uiso 1 1 calc R . .
C2 C -0.0430(3) 0.1423(3) 0.1654(3) 0.0211(9) Uani 1 1 d . . .
H2A H -0.0859 0.0763 0.1580 0.025 Uiso 1 1 calc R . .
H2B H -0.1032 0.1970 0.1452 0.025 Uiso 1 1 calc R . .
C3 C 0.4168(3) -0.0374(3) 0.0852(3) 0.0226(10) Uani 1 1 d . . .
H3A H 0.4623 0.0267 0.0867 0.027 Uiso 1 1 calc R . .
H3B H 0.4697 -0.0944 0.0778 0.027 Uiso 1 1 calc R . .
C4 C 0.3041(4) -0.0358(3) 0.0060(3) 0.0236(10) Uani 1 1 d . . .
H4A H 0.3263 -0.0204 -0.0513 0.028 Uiso 1 1 calc R . .
H4B H 0.2640 -0.1030 -0.0004 0.028 Uiso 1 1 calc R . .
C5 C 0.2379(3) 0.1240(3) 0.4048(3) 0.0226(9) Uani 1 1 d . . .
H5A H 0.2901 0.0697 0.4408 0.027 Uiso 1 1 calc R . .
C6 C 0.1567(4) 0.1631(4) 0.4635(3) 0.0282(10) Uani 1 1 d . . .
H6A H 0.2065 0.1796 0.5245 0.042 Uiso 1 1 calc R . .
H6B H 0.0980 0.1105 0.4679 0.042 Uiso 1 1 calc R . .
H6C H 0.1138 0.2242 0.4356 0.042 Uiso 1 1 calc R . .
C7 C 0.3225(4) 0.2092(4) 0.3909(3) 0.0328(11) Uani 1 1 d . . .
H7A H 0.3675 0.2356 0.4502 0.049 Uiso 1 1 calc R . .
H7B H 0.2748 0.2641 0.3553 0.049 Uiso 1 1 calc R . .
H7C H 0.3792 0.1825 0.3583 0.049 Uiso 1 1 calc R . .
C8 C 0.0822(4) -0.0513(3) 0.3390(3) 0.0208(9) Uani 1 1 d . . .
H8A H 0.0860 -0.1062 0.2945 0.025 Uiso 1 1 calc R . .
C9 C 0.1543(4) -0.0927(3) 0.4319(3) 0.0252(10) Uani 1 1 d . . .
H9A H 0.1167 -0.1555 0.4457 0.038 Uiso 1 1 calc R . .
H9B H 0.1546 -0.0421 0.4792 0.038 Uiso 1 1 calc R . .
H9C H 0.2376 -0.1067 0.4299 0.038 Uiso 1 1 calc R . .
C10 C -0.0515(4) -0.0429(4) 0.3373(3) 0.0315(11) Uani 1 1 d . . .
H10A H -0.0808 -0.1091 0.3519 0.047 Uiso 1 1 calc R . .
H10B H -0.0978 -0.0217 0.2766 0.047 Uiso 1 1 calc R . .
H10C H -0.0614 0.0074 0.3822 0.047 Uiso 1 1 calc R . .
C11 C 0.3781(3) -0.1925(3) 0.2102(3) 0.0210(9) Uani 1 1 d . . .
H11A H 0.4653 -0.2110 0.2329 0.025 Uiso 1 1 calc R . .
C12 C 0.3152(4) -0.2267(3) 0.2827(3) 0.0284(10) Uani 1 1 d . . .
H12A H 0.3312 -0.2990 0.2958 0.043 Uiso 1 1 calc R . .
H12B H 0.2280 -0.2158 0.2604 0.043 Uiso 1 1 calc R . .
H12C H 0.3464 -0.1872 0.3384 0.043 Uiso 1 1 calc R . .
C13 C 0.3267(4) -0.2546(3) 0.1232(3) 0.0307(11) Uani 1 1 d . . .
H13A H 0.3324 -0.3272 0.1378 0.046 Uiso 1 1 calc R . .
H13B H 0.3730 -0.2399 0.0789 0.046 Uiso 1 1 calc R . .
H13C H 0.2418 -0.2363 0.0974 0.046 Uiso 1 1 calc R . .
C14 C 0.5072(3) -0.0047(4) 0.2780(3) 0.0220(9) Uani 1 1 d . . .
H14A H 0.5030 0.0712 0.2749 0.026 Uiso 1 1 calc R . .
C15 C 0.6279(3) -0.0346(3) 0.2601(3) 0.0262(10) Uani 1 1 d . . .
H15A H 0.6942 -0.0072 0.3084 0.039 Uiso 1 1 calc R . .
H15B H 0.6326 -0.0070 0.2014 0.039 Uiso 1 1 calc R . .
H15C H 0.6341 -0.1088 0.2590 0.039 Uiso 1 1 calc R . .
C16 C 0.5076(4) -0.0337(4) 0.3750(3) 0.0291(11) Uani 1 1 d . . .
H16A H 0.5658 0.0088 0.4179 0.044 Uiso 1 1 calc R . .
H16B H 0.5305 -0.1053 0.3856 0.044 Uiso 1 1 calc R . .
H16C H 0.4268 -0.0234 0.3839 0.044 Uiso 1 1 calc R . .

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 0.01207(17) 0.01711(19) 0.01346(18) 0.00043(14) 0.00274(12) -0.00020(13)
Cl1 0.0230(5) 0.0208(6) 0.0243(6) 0.0027(4) 0.0013(4) -0.0060(4)
Cl2 0.0168(5) 0.0208(5) 0.0174(5) -0.0010(4) 0.0022(4) -0.0028(4)
P1 0.0148(5) 0.0192(6) 0.0132(5) -0.0012(4) 0.0029(4) 0.0006(4)
P2 0.0121(5) 0.0213(6) 0.0162(5) -0.0004(5) 0.0029(4) 0.0009(4)
N1 0.0149(16) 0.0213(18) 0.0131(17) 0.0028(15) 0.0016(13) 0.0029(14)
N2 0.0164(16) 0.0234(19) 0.0135(18) 0.0039(15) 0.0042(14) 0.0023(15)
C1 0.021(2) 0.022(2) 0.021(2) -0.0048(18) 0.0062(17) 0.0052(18)
C2 0.0131(19) 0.028(2) 0.021(2) -0.0004(19) 0.0021(16) 0.0056(18)
C3 0.015(2) 0.029(3) 0.024(2) 0.000(2) 0.0064(17) 0.0036(19)
C4 0.020(2) 0.036(3) 0.016(2) -0.002(2) 0.0064(17) 0.002(2)
C5 0.022(2) 0.025(2) 0.019(2) -0.0014(19) 0.0014(17) -0.0039(19)
C6 0.032(2) 0.032(3) 0.021(2) -0.007(2) 0.0060(19) -0.001(2)
C7 0.033(2) 0.040(3) 0.023(3) -0.009(2) 0.003(2) -0.014(2)
C8 0.026(2) 0.019(2) 0.018(2) -0.0029(18) 0.0065(18) -0.0018(18)
C9 0.029(2) 0.025(2) 0.023(2) 0.004(2) 0.0083(19) 0.001(2)
C10 0.023(2) 0.043(3) 0.030(3) 0.007(2) 0.0080(19) -0.007(2)
C11 0.018(2) 0.019(2) 0.027(2) -0.0028(19) 0.0070(17) 0.0031(18)
C12 0.031(2) 0.021(2) 0.035(3) 0.004(2) 0.013(2) -0.003(2)
C13 0.029(2) 0.020(2) 0.040(3) -0.010(2) 0.003(2) 0.004(2)
C14 0.016(2) 0.025(2) 0.023(2) 0.004(2) 0.0018(17) 0.0010(19)
C15 0.017(2) 0.032(3) 0.027(3) 0.000(2) 0.0015(18) 0.001(2)
C16 0.019(2) 0.041(3) 0.024(3) 0.000(2) -0.0001(18) -0.002(2)

_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 N1 2.174(3) . ?
Ru1 N2 2.179(3) . ?
Ru1 P2 2.2775(10) . ?
Ru1 P1 2.2979(11) . ?
Ru1 Cl1 2.4071(10) . ?
Ru1 Cl2 2.4377(10) . ?
P1 C1 1.859(4) . ?
P1 C5 1.868(4) . ?
P1 C8 1.880(4) . ?
P2 C11 1.858(4) . ?
P2 C3 1.860(4) . ?
P2 C14 1.865(4) . ?
N1 C2 1.487(4) . ?
N1 H1C 0.9200 . ?
N1 H1D 0.9200 . ?
N2 C4 1.480(5) . ?
N2 H2C 0.9200 . ?
N2 H2D 0.9200 . ?
C1 C2 1.518(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.522(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C7 1.533(6) . ?
C5 C6 1.536(5) . ?
C5 H5A 1.0000 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C10 1.530(5) . ?
C8 C9 1.541(6) . ?
C8 H8A 1.0000 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.534(5) . ?
C11 C13 1.539(6) . ?
C11 H11A 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C16 1.525(6) . ?
C14 C15 1.529(5) . ?
C14 H14A 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?

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 Ru1 N2 86.19(12) . . ?
N1 Ru1 P2 169.44(9) . . ?
N2 Ru1 P2 83.91(8) . . ?
N1 Ru1 P1 83.46(9) . . ?
N2 Ru1 P1 169.64(9) . . ?
P2 Ru1 P1 106.39(4) . . ?
N1 Ru1 Cl1 84.74(9) . . ?
N2 Ru1 Cl1 81.68(9) . . ?
P2 Ru1 Cl1 90.19(4) . . ?
P1 Ru1 Cl1 96.84(4) . . ?
N1 Ru1 Cl2 86.55(9) . . ?
N2 Ru1 Cl2 87.22(9) . . ?
P2 Ru1 Cl2 96.61(4) . . ?
P1 Ru1 Cl2 92.63(4) . . ?
Cl1 Ru1 Cl2 166.31(4) . . ?
C1 P1 C5 99.14(19) . . ?
C1 P1 C8 106.22(19) . . ?
C5 P1 C8 102.90(19) . . ?
C1 P1 Ru1 100.82(13) . . ?
C5 P1 Ru1 129.04(13) . . ?
C8 P1 Ru1 115.44(14) . . ?
C11 P2 C3 102.71(19) . . ?
C11 P2 C14 103.8(2) . . ?
C3 P2 C14 101.44(18) . . ?
C11 P2 Ru1 125.72(13) . . ?
C3 P2 Ru1 100.48(13) . . ?
C14 P2 Ru1 118.57(15) . . ?
C2 N1 Ru1 113.5(2) . . ?
C2 N1 H1C 108.9 . . ?
Ru1 N1 H1C 108.9 . . ?
C2 N1 H1D 108.9 . . ?
Ru1 N1 H1D 108.9 . . ?
H1C N1 H1D 107.7 . . ?
C4 N2 Ru1 114.5(2) . . ?
C4 N2 H2C 108.6 . . ?
Ru1 N2 H2C 108.6 . . ?
C4 N2 H2D 108.6 . . ?
Ru1 N2 H2D 108.6 . . ?
H2C N2 H2D 107.6 . . ?
C2 C1 P1 109.7(3) . . ?
C2 C1 H1A 109.7 . . ?
P1 C1 H1A 109.7 . . ?
C2 C1 H1B 109.7 . . ?
P1 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
N1 C2 C1 107.7(3) . . ?
N1 C2 H2A 110.2 . . ?
C1 C2 H2A 110.2 . . ?
N1 C2 H2B 110.2 . . ?
C1 C2 H2B 110.2 . . ?
H2A C2 H2B 108.5 . . ?
C4 C3 P2 108.9(3) . . ?
C4 C3 H3A 109.9 . . ?
P2 C3 H3A 109.9 . . ?
C4 C3 H3B 109.9 . . ?
P2 C3 H3B 109.9 . . ?
H3A C3 H3B 108.3 . . ?
N2 C4 C3 108.5(3) . . ?
N2 C4 H4A 110.0 . . ?
C3 C4 H4A 110.0 . . ?
N2 C4 H4B 110.0 . . ?
C3 C4 H4B 110.0 . . ?
H4A C4 H4B 108.4 . . ?
C7 C5 C6 109.6(4) . . ?
C7 C5 P1 114.3(3) . . ?
C6 C5 P1 112.2(3) . . ?
C7 C5 H5A 106.8 . . ?
C6 C5 H5A 106.8 . . ?
P1 C5 H5A 106.8 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C10 C8 C9 109.8(3) . . ?
C10 C8 P1 115.5(3) . . ?
C9 C8 P1 115.2(3) . . ?
C10 C8 H8A 105.0 . . ?
C9 C8 H8A 105.0 . . ?
P1 C8 H8A 105.0 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C13 108.5(3) . . ?
C12 C11 P2 112.4(3) . . ?
C13 C11 P2 114.3(3) . . ?
C12 C11 H11A 107.1 . . ?
C13 C11 H11A 107.1 . . ?
P2 C11 H11A 107.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C14 C15 109.4(3) . . ?
C16 C14 P2 112.3(3) . . ?
C15 C14 P2 115.0(3) . . ?
C16 C14 H14A 106.5 . . ?
C15 C14 H14A 106.5 . . ?
P2 C14 H14A 106.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.617
_refine_diff_density_min         -1.246
_refine_diff_density_rms         0.154