# Electronic Supplementary Material (ESI) for ChemComm.
# 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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#  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_I
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H36 N O3 P Pd'
_chemical_formula_iupac          ?
_chemical_formula_weight         680.04
_chemical_absolute_configuration ad

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.06410(10)
_cell_length_b                   11.7975(2)
_cell_length_c                   26.1920(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3109.81(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9989
_cell_measurement_theta_min      2.7716
_cell_measurement_theta_max      30.9255
_cell_measurement_temperature    103.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.160
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1400

_exptl_absorpt_coefficient_mu    0.686
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_T_max  0.90

_exptl_special_details           
;
;

_diffrn_ambient_temperature      103.(2)

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            29841
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_sigmaI/netI    ?
_diffrn_reflns_theta_min         3.45
_diffrn_reflns_theta_max         31.03
_diffrn_reflns_theta_full        31.03
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37

_refine_special_details          
;
;

_reflns_number_total             9892
_reflns_number_gt                9465
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_gt          0.0573
_refine_ls_wR_factor_ref         0.0583
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_number_reflns         9892
_refine_ls_number_parameters     392
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0241P)²+0.8635P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.455
_refine_diff_density_min         -0.728
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
Flack x determined using 4092 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.018(9)

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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd Pd1 0.68289(2) 0.64927(2) 0.11291(2) 0.01047(4) Uani d . . . 1 . .
C C1 0.7486(2) 0.6178(2) 0.18327(9) 0.0131(4) Uani d . . . 1 . .
C C2 0.7405(3) 0.5144(2) 0.21124(10) 0.0174(5) Uani d . . . 1 . .
H H2 0.6959 0.4513 0.1966 0.021 Uiso calc U . R 1 . .
C C3 0.7960(3) 0.5041(2) 0.25887(10) 0.0176(5) Uani d . . . 1 . .
H H3 0.7918 0.4334 0.2761 0.021 Uiso calc U . R 1 . .
C C4 0.8590(3) 0.5970(2) 0.28267(10) 0.0158(5) Uani d . . . 1 . .
C C5 0.9111(3) 0.5892(2) 0.33298(10) 0.0202(5) Uani d . . . 1 . .
H H5 0.9072 0.5189 0.3506 0.024 Uiso calc U . R 1 . .
C C6 0.9668(3) 0.6812(3) 0.35645(10) 0.0226(6) Uani d . . . 1 . .
H H6 1.0002 0.6748 0.3903 0.027 Uiso calc U . R 1 . .
C C7 0.9747(3) 0.7860(3) 0.33024(11) 0.0215(5) Uani d . . . 1 . .
H H7 1.0126 0.8501 0.3467 0.026 Uiso calc U . R 1 . .
C C8 0.9279(3) 0.7956(2) 0.28126(10) 0.0177(5) Uani d . . . 1 . .
H H8 0.9354 0.8661 0.264 0.021 Uiso calc U . R 1 . .
C C9 0.8685(2) 0.7019(2) 0.25577(9) 0.0139(4) Uani d . . . 1 . .
C C10 0.8169(3) 0.70772(19) 0.20511(9) 0.0128(4) Uani d . . . 1 . .
C C11 0.8288(3) 0.81513(19) 0.17383(9) 0.0145(4) Uani d . . . 1 . .
H H11 0.9156 0.8524 0.1819 0.017 Uiso calc U . R 1 . .
C C12 0.7164(3) 0.8970(2) 0.18673(11) 0.0217(6) Uani d . . . 1 . .
H H12A 0.7338 0.9705 0.1707 0.032 Uiso calc U . R 1 . .
H H12B 0.7111 0.9066 0.2238 0.032 Uiso calc U . R 1 . .
H H12C 0.6322 0.8664 0.174 0.032 Uiso calc U . R 1 . .
C C13 0.9598(2) 0.7334(2) 0.10438(10) 0.0186(5) Uani d . . . 1 . .
H H13A 0.9566 0.7047 0.0693 0.028 Uiso calc U . R 1 . .
H H13B 0.9823 0.6712 0.1277 0.028 Uiso calc U . R 1 . .
H H13C 1.0275 0.7929 0.1069 0.028 Uiso calc U . R 1 . .
C C14 0.8021(3) 0.8768(2) 0.08361(10) 0.0186(5) Uani d . . . 1 . .
H H14A 0.8666 0.9374 0.0901 0.028 Uiso calc U . R 1 . .
H H14B 0.712 0.9055 0.0895 0.028 Uiso calc U . R 1 . .
H H14C 0.8102 0.8513 0.0481 0.028 Uiso calc U . R 1 . .
C C15 0.9120(3) 0.6330(3) -0.08058(13) 0.0314(7) Uani d . . . 1 . .
H H15A 0.9441 0.5547 -0.0786 0.047 Uiso calc U . R 1 . .
H H15B 0.9873 0.6852 -0.0772 0.047 Uiso calc U . R 1 . .
H H15C 0.8683 0.6453 -0.1136 0.047 Uiso calc U . R 1 . .
C C16 0.7232(3) 0.5746(2) -0.03583(10) 0.0156(5) Uani d . . . 1 . .
C C17 0.6278(2) 0.5989(2) 0.00684(9) 0.0133(4) Uani d . . . 1 . .
C C18 0.5243(2) 0.5270(2) 0.01194(9) 0.0140(4) Uani d . . . 1 . .
H H18 0.5176 0.4625 -0.0096 0.017 Uiso calc U . R 1 . .
C C19 0.4202(2) 0.5485(2) 0.05145(9) 0.0131(4) Uani d . . . 1 . .
H H19 0.3941 0.6299 0.0476 0.016 Uiso calc U . R 1 . .
C C20 0.2950(2) 0.4806(2) 0.04342(9) 0.0137(5) Uani d . . . 1 . .
C C21 0.1740(3) 0.5363(2) 0.03744(9) 0.0169(4) Uani d . . . 1 . .
H H21 0.1712 0.6168 0.0385 0.02 Uiso calc U . R 1 . .
C C22 0.0570(3) 0.4755(3) 0.02996(11) 0.0217(6) Uani d . . . 1 . .
H H22 -0.0249 0.5146 0.0262 0.026 Uiso calc U . R 1 . .
C C23 0.0598(3) 0.3582(3) 0.02806(10) 0.0228(5) Uani d . . . 1 . .
H H23 -0.0202 0.3167 0.0235 0.027 Uiso calc U . R 1 . .
C C24 0.1805(3) 0.3013(2) 0.03287(10) 0.0212(5) Uani d . . . 1 . .
H H24 0.1829 0.2209 0.0311 0.025 Uiso calc U . R 1 . .
C C25 0.2969(3) 0.3618(2) 0.04018(9) 0.0170(5) Uani d . . . 1 . .
H H25 0.3789 0.3224 0.043 0.02 Uiso calc U . R 1 . .
C C26 0.5267(2) 0.3854(2) 0.12550(9) 0.0143(5) Uani d . . . 1 . .
C C27 0.6361(3) 0.3360(2) 0.10141(10) 0.0192(5) Uani d . . . 1 . .
H H27 0.6995 0.3824 0.0846 0.023 Uiso calc U . R 1 . .
C C28 0.6523(3) 0.2188(2) 0.10196(11) 0.0251(6) Uani d . . . 1 . .
H H28 0.7264 0.1852 0.0854 0.03 Uiso calc U . R 1 . .
C C29 0.5601(3) 0.1513(3) 0.12680(12) 0.0279(6) Uani d . . . 1 . .
H H29 0.5704 0.0713 0.1267 0.034 Uiso calc U . R 1 . .
C C30 0.4536(3) 0.1995(2) 0.15158(13) 0.0280(7) Uani d . . . 1 . .
H H30 0.3914 0.1526 0.1689 0.034 Uiso calc U . R 1 . .
C C31 0.4364(3) 0.3166(2) 0.15144(11) 0.0198(5) Uani d . . . 1 . .
H H31 0.3634 0.3495 0.169 0.024 Uiso calc U . R 1 . .
C C32 0.3825(2) 0.5824(2) 0.16387(10) 0.0132(4) Uani d . . . 1 . .
C C33 0.4237(2) 0.6583(2) 0.20151(9) 0.0174(5) Uani d . . . 1 . .
H H33 0.5126 0.6853 0.2016 0.021 Uiso calc U . R 1 . .
C C34 0.3356(3) 0.6947(2) 0.23893(11) 0.0210(6) Uani d . . . 1 . .
H H34 0.3649 0.7458 0.2646 0.025 Uiso calc U . R 1 . .
C C35 0.2052(2) 0.6568(3) 0.23897(10) 0.0198(5) Uani d . . . 1 . .
H H35 0.1455 0.6811 0.2648 0.024 Uiso calc U . R 1 . .
C C36 0.1623(2) 0.5831(2) 0.20103(10) 0.0163(5) Uani d . . . 1 . .
H H36 0.0724 0.5584 0.2006 0.02 Uiso calc U . R 1 . .
C C37 0.2497(2) 0.5455(2) 0.16386(10) 0.0143(4) Uani d . . . 1 . .
H H37 0.2198 0.4945 0.1383 0.017 Uiso calc U . R 1 . .
N N1 0.8286(2) 0.78067(16) 0.11842(8) 0.0131(4) Uani d . . . 1 . .
O O1 0.65031(18) 0.68864(14) 0.03573(7) 0.0147(3) Uani d . . . 1 . .
O O2 0.8185(2) 0.65331(17) -0.03993(8) 0.0233(4) Uani d . . . 1 . .
O O3 0.7174(2) 0.4938(2) -0.06393(9) 0.0344(6) Uani d . . . 1 . .
P P1 0.50317(6) 0.53657(5) 0.11627(3) 0.01137(11) Uani d . . . 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pd1 C1 . 1.993(2) ?
Pd1 O1 . 2.1001(18) ?
Pd1 N1 . 2.139(2) ?
Pd1 P1 . 2.2465(6) ?
C1 C10 . 1.387(3) ?
C1 C2 . 1.425(3) ?
C2 C3 . 1.372(4) ?
C2 H2 . 0.95 ?
C3 C4 . 1.411(4) ?
C3 H3 . 0.95 ?
C4 C5 . 1.421(4) ?
C4 C9 . 1.427(4) ?
C5 C6 . 1.368(4) ?
C5 H5 . 0.95 ?
C6 C7 . 1.417(4) ?
C6 H6 . 0.95 ?
C7 C8 . 1.371(4) ?
C7 H7 . 0.95 ?
C8 C9 . 1.423(4) ?
C8 H8 . 0.95 ?
C9 C10 . 1.427(3) ?
C10 C11 . 1.514(3) ?
C11 N1 . 1.507(3) ?
C11 C12 . 1.525(4) ?
C11 H11 . 1.0 ?
C12 H12A . 0.98 ?
C12 H12B . 0.98 ?
C12 H12C . 0.98 ?
C13 N1 . 1.480(3) ?
C13 H13A . 0.98 ?
C13 H13B . 0.98 ?
C13 H13C . 0.98 ?
C14 N1 . 1.480(3) ?
C14 H14A . 0.98 ?
C14 H14B . 0.98 ?
C14 H14C . 0.98 ?
C15 O2 . 1.441(3) ?
C15 H15A . 0.98 ?
C15 H15B . 0.98 ?
C15 H15C . 0.98 ?
C16 O3 . 1.206(3) ?
C16 O2 . 1.339(3) ?
C16 C17 . 1.501(4) ?
C17 O1 . 1.321(3) ?
C17 C18 . 1.351(3) ?
C18 C19 . 1.494(3) ?
C18 H18 . 0.95 ?
C19 C20 . 1.507(3) ?
C19 P1 . 1.897(2) ?
C19 H19 . 1.0 ?
C20 C21 . 1.394(4) ?
C20 C25 . 1.404(4) ?
C21 C22 . 1.392(4) ?
C21 H21 . 0.95 ?
C22 C23 . 1.386(5) ?
C22 H22 . 0.95 ?
C23 C24 . 1.393(4) ?
C23 H23 . 0.95 ?
C24 C25 . 1.385(4) ?
C24 H24 . 0.95 ?
C25 H25 . 0.95 ?
C26 C31 . 1.395(4) ?
C26 C27 . 1.396(4) ?
C26 P1 . 1.815(2) ?
C27 C28 . 1.393(4) ?
C27 H27 . 0.95 ?
C28 C29 . 1.385(5) ?
C28 H28 . 0.95 ?
C29 C30 . 1.376(5) ?
C29 H29 . 0.95 ?
C30 C31 . 1.392(4) ?
C30 H30 . 0.95 ?
C31 H31 . 0.95 ?
C32 C33 . 1.395(4) ?
C32 C37 . 1.405(3) ?
C32 P1 . 1.823(3) ?
C33 C34 . 1.390(4) ?
C33 H33 . 0.95 ?
C34 C35 . 1.386(4) ?
C34 H34 . 0.95 ?
C35 C36 . 1.389(4) ?
C35 H35 . 0.95 ?
C36 C37 . 1.385(3) ?
C36 H36 . 0.95 ?
C37 H37 . 0.95 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C1 Pd1 O1 . . 169.49(8) ?
C1 Pd1 N1 . . 81.09(9) ?
O1 Pd1 N1 . . 90.67(7) ?
C1 Pd1 P1 . . 96.94(7) ?
O1 Pd1 P1 . . 92.46(5) ?
N1 Pd1 P1 . . 168.05(6) ?
C10 C1 C2 . . 118.1(2) ?
C10 C1 Pd1 . . 113.77(17) ?
C2 C1 Pd1 . . 128.01(19) ?
C3 C2 C1 . . 121.3(2) ?
C3 C2 H2 . . 119.4 ?
C1 C2 H2 . . 119.4 ?
C2 C3 C4 . . 121.1(2) ?
C2 C3 H3 . . 119.5 ?
C4 C3 H3 . . 119.5 ?
C3 C4 C5 . . 121.7(2) ?
C3 C4 C9 . . 119.0(2) ?
C5 C4 C9 . . 119.3(2) ?
C6 C5 C4 . . 121.1(3) ?
C6 C5 H5 . . 119.4 ?
C4 C5 H5 . . 119.4 ?
C5 C6 C7 . . 119.9(2) ?
C5 C6 H6 . . 120.1 ?
C7 C6 H6 . . 120.1 ?
C8 C7 C6 . . 120.4(3) ?
C8 C7 H7 . . 119.8 ?
C6 C7 H7 . . 119.8 ?
C7 C8 C9 . . 121.3(3) ?
C7 C8 H8 . . 119.4 ?
C9 C8 H8 . . 119.4 ?
C8 C9 C10 . . 123.5(2) ?
C8 C9 C4 . . 118.0(2) ?
C10 C9 C4 . . 118.4(2) ?
C1 C10 C9 . . 121.8(2) ?
C1 C10 C11 . . 117.1(2) ?
C9 C10 C11 . . 121.0(2) ?
N1 C11 C10 . . 107.18(18) ?
N1 C11 C12 . . 112.5(2) ?
C10 C11 C12 . . 110.6(2) ?
N1 C11 H11 . . 108.8 ?
C10 C11 H11 . . 108.8 ?
C12 C11 H11 . . 108.8 ?
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 ?
N1 C13 H13A . . 109.5 ?
N1 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
N1 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
N1 C14 H14A . . 109.5 ?
N1 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
N1 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
O2 C15 H15A . . 109.5 ?
O2 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
O2 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
O3 C16 O2 . . 122.3(2) ?
O3 C16 C17 . . 125.0(2) ?
O2 C16 C17 . . 112.7(2) ?
O1 C17 C18 . . 125.4(2) ?
O1 C17 C16 . . 118.0(2) ?
C18 C17 C16 . . 116.6(2) ?
C17 C18 C19 . . 120.2(2) ?
C17 C18 H18 . . 119.9 ?
C19 C18 H18 . . 119.9 ?
C18 C19 C20 . . 113.5(2) ?
C18 C19 P1 . . 107.35(16) ?
C20 C19 P1 . . 116.94(17) ?
C18 C19 H19 . . 106.1 ?
C20 C19 H19 . . 106.1 ?
P1 C19 H19 . . 106.1 ?
C21 C20 C25 . . 118.4(2) ?
C21 C20 C19 . . 119.7(2) ?
C25 C20 C19 . . 121.9(2) ?
C22 C21 C20 . . 120.8(2) ?
C22 C21 H21 . . 119.6 ?
C20 C21 H21 . . 119.6 ?
C23 C22 C21 . . 120.2(3) ?
C23 C22 H22 . . 119.9 ?
C21 C22 H22 . . 119.9 ?
C22 C23 C24 . . 119.7(3) ?
C22 C23 H23 . . 120.1 ?
C24 C23 H23 . . 120.1 ?
C25 C24 C23 . . 120.1(2) ?
C25 C24 H24 . . 119.9 ?
C23 C24 H24 . . 119.9 ?
C24 C25 C20 . . 120.7(2) ?
C24 C25 H25 . . 119.6 ?
C20 C25 H25 . . 119.6 ?
C31 C26 C27 . . 119.4(2) ?
C31 C26 P1 . . 123.5(2) ?
C27 C26 P1 . . 116.9(2) ?
C28 C27 C26 . . 120.2(3) ?
C28 C27 H27 . . 119.9 ?
C26 C27 H27 . . 119.9 ?
C29 C28 C27 . . 119.8(3) ?
C29 C28 H28 . . 120.1 ?
C27 C28 H28 . . 120.1 ?
C30 C29 C28 . . 120.4(3) ?
C30 C29 H29 . . 119.8 ?
C28 C29 H29 . . 119.8 ?
C29 C30 C31 . . 120.3(3) ?
C29 C30 H30 . . 119.8 ?
C31 C30 H30 . . 119.8 ?
C30 C31 C26 . . 119.9(3) ?
C30 C31 H31 . . 120.1 ?
C26 C31 H31 . . 120.1 ?
C33 C32 C37 . . 118.8(2) ?
C33 C32 P1 . . 118.40(19) ?
C37 C32 P1 . . 122.79(19) ?
C34 C33 C32 . . 120.5(2) ?
C34 C33 H33 . . 119.8 ?
C32 C33 H33 . . 119.8 ?
C35 C34 C33 . . 120.3(3) ?
C35 C34 H34 . . 119.8 ?
C33 C34 H34 . . 119.8 ?
C34 C35 C36 . . 119.7(2) ?
C34 C35 H35 . . 120.1 ?
C36 C35 H35 . . 120.1 ?
C37 C36 C35 . . 120.4(2) ?
C37 C36 H36 . . 119.8 ?
C35 C36 H36 . . 119.8 ?
C36 C37 C32 . . 120.3(2) ?
C36 C37 H37 . . 119.9 ?
C32 C37 H37 . . 119.9 ?
C14 N1 C13 . . 107.26(19) ?
C14 N1 C11 . . 112.75(18) ?
C13 N1 C11 . . 109.86(19) ?
C14 N1 Pd1 . . 113.00(15) ?
C13 N1 Pd1 . . 108.77(15) ?
C11 N1 Pd1 . . 105.15(14) ?
C17 O1 Pd1 . . 113.63(15) ?
C16 O2 C15 . . 114.3(2) ?
C26 P1 C32 . . 106.69(11) ?
C26 P1 C19 . . 104.45(11) ?
C32 P1 C19 . . 107.26(11) ?
C26 P1 Pd1 . . 118.79(8) ?
C32 P1 Pd1 . . 112.82(8) ?
C19 P1 Pd1 . . 105.99(8) ?

_database_code_depnum_ccdc_archive 'CCDC 988281'
