# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_felix137
_database_code_depnum_ccdc_archive 'CCDC 1483659'
_audit_update_record             
;
2016-06-06 deposited with the CCDC.
2016-08-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H51 Mo N2 P5'
_chemical_formula_weight         822.62

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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_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                   11.2404(3)
_cell_length_b                   17.7665(4)
_cell_length_c                   20.0607(6)
_cell_angle_alpha                90
_cell_angle_beta                 98.553(2)
_cell_angle_gamma                90
_cell_volume                     3961.62(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    30028
_cell_measurement_theta_min      1.539
_cell_measurement_theta_max      26.005

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_F_000             1712
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_exptl_absorpt_coefficient_mu    0.565
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8624
_exptl_absorpt_correction_T_max  0.9414
_exptl_absorpt_process_details   'X-Red and X-Shape'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  IPDS-2
_diffrn_measurement_method       'Omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30028
_diffrn_reflns_av_unetI/netI     0.0195
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.539
_diffrn_reflns_theta_max         26.005
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7759
_reflns_number_gt                6992
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'X-Area (Stoe, 2008)'
_computing_cell_refinement       'X-Area (Stoe, 2008)'
_computing_data_reduction        'X-Area (Stoe, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0448P)²+2.8411P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0021(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7759
_refine_ls_number_parameters     447
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0344
_refine_ls_wR_factor_ref         0.0841
_refine_ls_wR_factor_gt          0.0812
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.58640(2) 0.72224(2) 0.35202(2) 0.02307(8) Uani 1 1 d . . . . .
N1 N 0.52778(17) 0.82860(12) 0.33226(9) 0.0288(4) Uani 1 1 d . . . . .
N2 N 0.4956(2) 0.88773(12) 0.32206(11) 0.0376(5) Uani 1 1 d . . . . .
P1 P 0.67439(5) 0.77352(3) 0.46089(3) 0.02702(13) Uani 1 1 d . . . . .
C1 C 0.7197(2) 0.71137(14) 0.53485(12) 0.0323(5) Uani 1 1 d . . . . .
H1A H 0.7802 0.7383 0.5671 0.039 Uiso 1 1 calc R U . . .
H1B H 0.6484 0.7028 0.5575 0.039 Uiso 1 1 calc R U . . .
C2 C 0.7715(2) 0.63529(15) 0.51974(13) 0.0372(6) Uani 1 1 d . . . . .
H2A H 0.8067 0.6117 0.5629 0.045 Uiso 1 1 calc R U . . .
H2B H 0.8377 0.6435 0.4931 0.045 Uiso 1 1 calc R U . . .
C3 C 0.6815(2) 0.58012(15) 0.48139(12) 0.0330(5) Uani 1 1 d . . . . .
H3A H 0.6049 0.5836 0.5000 0.040 Uiso 1 1 calc R U . . .
H3B H 0.7128 0.5284 0.4898 0.040 Uiso 1 1 calc R U . . .
P2 P 0.64962(5) 0.59544(3) 0.38936(3) 0.02688(13) Uani 1 1 d . . . . .
C4 C 0.5460(2) 0.51463(14) 0.36717(14) 0.0352(5) Uani 1 1 d . . . . .
H4A H 0.5447 0.5030 0.3188 0.042 Uiso 1 1 calc R U . . .
H4B H 0.5796 0.4702 0.3932 0.042 Uiso 1 1 calc R U . . .
C5 C 0.4165(2) 0.52564(15) 0.37971(14) 0.0352(5) Uani 1 1 d . . . . .
H5A H 0.3741 0.4767 0.3736 0.042 Uiso 1 1 calc R U . . .
H5B H 0.4174 0.5413 0.4271 0.042 Uiso 1 1 calc R U . . .
C6 C 0.3460(2) 0.58370(14) 0.33372(13) 0.0329(5) Uani 1 1 d . . . . .
H6A H 0.2588 0.5751 0.3331 0.039 Uiso 1 1 calc R U . . .
H6B H 0.3638 0.5769 0.2872 0.039 Uiso 1 1 calc R U . . .
P3 P 0.38314(5) 0.68172(3) 0.36121(3) 0.02643(13) Uani 1 1 d . . . . .
C11 C 0.5952(2) 0.84482(14) 0.50626(12) 0.0324(5) Uani 1 1 d . . . . .
C12 C 0.4737(2) 0.85812(15) 0.48798(13) 0.0364(6) Uani 1 1 d . . . . .
H12 H 0.4311 0.8326 0.4502 0.044 Uiso 1 1 calc R U . . .
C13 C 0.4128(3) 0.90819(18) 0.52387(16) 0.0483(7) Uani 1 1 d . . . . .
H13 H 0.3291 0.9163 0.5108 0.058 Uiso 1 1 calc R U . . .
C14 C 0.4734(3) 0.94616(19) 0.57839(16) 0.0548(8) Uani 1 1 d . . . . .
H14 H 0.4313 0.9800 0.6032 0.066 Uiso 1 1 calc R U . . .
C15 C 0.5951(3) 0.93513(19) 0.59704(15) 0.0533(8) Uani 1 1 d . . . . .
H15 H 0.6373 0.9619 0.6342 0.064 Uiso 1 1 calc R U . . .
C16 C 0.6561(3) 0.88477(17) 0.56139(14) 0.0442(7) Uani 1 1 d . . . . .
H16 H 0.7400 0.8773 0.5745 0.053 Uiso 1 1 calc R U . . .
C21 C 0.8133(2) 0.82882(16) 0.45954(12) 0.0363(6) Uani 1 1 d . . . . .
C22 C 0.8035(3) 0.90128(18) 0.43296(15) 0.0488(7) Uani 1 1 d . . . . .
H22 H 0.7261 0.9218 0.4180 0.059 Uiso 1 1 calc R U . . .
C23 C 0.9055(4) 0.9441(2) 0.42801(18) 0.0637(10) Uani 1 1 d . . . . .
H23 H 0.8973 0.9935 0.4099 0.076 Uiso 1 1 calc R U . . .
C24 C 1.0187(3) 0.9149(2) 0.4492(2) 0.0674(11) Uani 1 1 d . . . . .
H24 H 1.0883 0.9441 0.4455 0.081 Uiso 1 1 calc R U . . .
C25 C 1.0303(3) 0.8437(2) 0.47571(19) 0.0618(9) Uani 1 1 d . . . . .
H25 H 1.1081 0.8236 0.4904 0.074 Uiso 1 1 calc R U . . .
C26 C 0.9290(2) 0.80108(19) 0.48111(16) 0.0463(7) Uani 1 1 d . . . . .
H26 H 0.9383 0.7519 0.4999 0.056 Uiso 1 1 calc R U . . .
C31 C 0.7837(2) 0.54981(13) 0.36283(12) 0.0302(5) Uani 1 1 d . . . . .
C32 C 0.8890(2) 0.53162(14) 0.40575(13) 0.0340(5) Uani 1 1 d . . . . .
H32 H 0.8921 0.5380 0.4530 0.041 Uiso 1 1 calc R U . . .
C33 C 0.9890(2) 0.50449(16) 0.38092(15) 0.0405(6) Uani 1 1 d . . . . .
H33 H 1.0602 0.4934 0.4112 0.049 Uiso 1 1 calc R U . . .
C34 C 0.9869(2) 0.49325(16) 0.31258(15) 0.0417(6) Uani 1 1 d . . . . .
H34 H 1.0563 0.4757 0.2955 0.050 Uiso 1 1 calc R U . . .
C35 C 0.8813(2) 0.50812(16) 0.26942(14) 0.0397(6) Uani 1 1 d . . . . .
H35 H 0.8773 0.4992 0.2224 0.048 Uiso 1 1 calc R U . . .
C36 C 0.7818(2) 0.53595(15) 0.29446(13) 0.0345(5) Uani 1 1 d . . . . .
H36 H 0.7103 0.5459 0.2641 0.041 Uiso 1 1 calc R U . . .
C41 C 0.2661(2) 0.73521(15) 0.30615(13) 0.0324(5) Uani 1 1 d . . . . .
C42 C 0.2095(2) 0.70761(17) 0.24416(13) 0.0380(6) Uani 1 1 d . . . . .
H42 H 0.2234 0.6571 0.2317 0.046 Uiso 1 1 calc R U . . .
C43 C 0.1333(2) 0.7531(2) 0.20049(14) 0.0446(7) Uani 1 1 d . . . . .
H43 H 0.0955 0.7335 0.1586 0.053 Uiso 1 1 calc R U . . .
C44 C 0.1125(2) 0.82603(19) 0.21759(15) 0.0481(7) Uani 1 1 d . . . . .
H44 H 0.0625 0.8574 0.1870 0.058 Uiso 1 1 calc R U . . .
C45 C 0.1643(3) 0.85382(18) 0.27931(18) 0.0528(8) Uani 1 1 d . . . . .
H45 H 0.1483 0.9040 0.2917 0.063 Uiso 1 1 calc R U . . .
C46 C 0.2402(2) 0.80822(17) 0.32351(15) 0.0428(6) Uani 1 1 d . . . . .
H46 H 0.2746 0.8275 0.3662 0.051 Uiso 1 1 calc R U . . .
C51 C 0.3109(2) 0.67636(14) 0.43894(12) 0.0290(5) Uani 1 1 d . . . . .
C52 C 0.1905(2) 0.65676(15) 0.43734(13) 0.0341(5) Uani 1 1 d . . . . .
H52 H 0.1401 0.6510 0.3952 0.041 Uiso 1 1 calc R U . . .
C53 C 0.1437(2) 0.64564(16) 0.49654(14) 0.0392(6) Uani 1 1 d . . . . .
H53 H 0.0619 0.6312 0.4946 0.047 Uiso 1 1 calc R U . . .
C54 C 0.2143(2) 0.65528(15) 0.55853(13) 0.0370(6) Uani 1 1 d . . . . .
H54 H 0.1815 0.6475 0.5990 0.044 Uiso 1 1 calc R U . . .
C55 C 0.3333(2) 0.67639(16) 0.56084(13) 0.0361(6) Uani 1 1 d . . . . .
H55 H 0.3823 0.6845 0.6030 0.043 Uiso 1 1 calc R U . . .
C56 C 0.3807(2) 0.68575(15) 0.50140(12) 0.0326(5) Uani 1 1 d . . . . .
H56 H 0.4631 0.6989 0.5035 0.039 Uiso 1 1 calc R U . . .
C61 C 0.7930(2) 0.84426(16) 0.26894(14) 0.0388(6) Uani 1 1 d . . . . .
H61A H 0.8318 0.8740 0.3073 0.058 Uiso 1 1 calc R U . . .
H61B H 0.7167 0.8680 0.2500 0.058 Uiso 1 1 calc R U . . .
H61C H 0.8460 0.8419 0.2344 0.058 Uiso 1 1 calc R U . . .
C62 C 0.9195(2) 0.71626(16) 0.31956(14) 0.0367(6) Uani 1 1 d . . . . .
H62A H 0.9621 0.7220 0.2806 0.055 Uiso 1 1 calc R U . . .
H62B H 0.9196 0.6631 0.3327 0.055 Uiso 1 1 calc R U . . .
H62C H 0.9600 0.7462 0.3573 0.055 Uiso 1 1 calc R U . . .
P4 P 0.76417(5) 0.74894(4) 0.29722(3) 0.02784(14) Uani 1 1 d . . . . .
C63 C 0.7082(2) 0.70359(15) 0.21555(12) 0.0318(5) Uani 1 1 d . . . . .
H63A H 0.7183 0.7357 0.1764 0.038 Uiso 1 1 calc R U . . .
H63B H 0.7442 0.6534 0.2108 0.038 Uiso 1 1 calc R U . . .
P5 P 0.55079(5) 0.69843(4) 0.23095(3) 0.02847(14) Uani 1 1 d . . . . .
C64 C 0.4876(2) 0.61857(16) 0.17846(13) 0.0386(6) Uani 1 1 d . . . . .
H64A H 0.5087 0.6237 0.1330 0.058 Uiso 1 1 calc R U . . .
H64B H 0.3999 0.6182 0.1760 0.058 Uiso 1 1 calc R U . . .
H64C H 0.5208 0.5713 0.1985 0.058 Uiso 1 1 calc R U . . .
C65 C 0.4803(2) 0.77501(16) 0.17798(13) 0.0379(6) Uani 1 1 d . . . . .
H65A H 0.5195 0.8227 0.1925 0.057 Uiso 1 1 calc R U . . .
H65B H 0.3947 0.7779 0.1823 0.057 Uiso 1 1 calc R U . . .
H65C H 0.4889 0.7654 0.1308 0.057 Uiso 1 1 calc R U . . .


_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
Mo1 N1 2.021(2) . ?
Mo1 P3 2.4285(6) . ?
Mo1 P1 2.4363(6) . ?
Mo1 P5 2.4390(6) . ?
Mo1 P2 2.4460(6) . ?
Mo1 P4 2.4656(6) . ?
N1 N2 1.120(3) . ?
P1 C21 1.848(3) . ?
P1 C1 1.859(2) . ?
P1 C11 1.862(3) . ?
C1 C2 1.520(4) . ?
C2 C3 1.531(4) . ?
C3 P2 1.848(2) . ?
P2 C31 1.858(2) . ?
P2 C4 1.861(3) . ?
C4 C5 1.526(3) . ?
C5 C6 1.525(3) . ?
C6 P3 1.855(3) . ?
P3 C41 1.849(2) . ?
P3 C51 1.864(2) . ?
C11 C12 1.381(4) . ?
C11 C16 1.403(4) . ?
C12 C13 1.387(4) . ?
C13 C14 1.376(5) . ?
C14 C15 1.378(5) . ?
C15 C16 1.388(4) . ?
C21 C22 1.392(4) . ?
C21 C26 1.398(4) . ?
C22 C23 1.392(4) . ?
C23 C24 1.381(6) . ?
C24 C25 1.370(6) . ?
C25 C26 1.386(4) . ?
C31 C36 1.390(4) . ?
C31 C32 1.394(3) . ?
C32 C33 1.383(4) . ?
C33 C34 1.382(4) . ?
C34 C35 1.386(4) . ?
C35 C36 1.384(4) . ?
C41 C46 1.385(4) . ?
C41 C42 1.399(4) . ?
C42 C43 1.390(4) . ?
C43 C44 1.369(5) . ?
C44 C45 1.379(5) . ?
C45 C46 1.395(4) . ?
C51 C56 1.386(3) . ?
C51 C52 1.394(3) . ?
C52 C53 1.382(4) . ?
C53 C54 1.382(4) . ?
C54 C55 1.383(4) . ?
C55 C56 1.387(4) . ?
C61 P4 1.830(3) . ?
C62 P4 1.831(2) . ?
P4 C63 1.850(2) . ?
C63 P5 1.843(2) . ?
P5 C65 1.833(3) . ?
P5 C64 1.845(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
N1 Mo1 P3 90.52(6) . . ?
N1 Mo1 P1 84.44(6) . . ?
P3 Mo1 P1 107.69(2) . . ?
N1 Mo1 P5 88.08(6) . . ?
P3 Mo1 P5 90.42(2) . . ?
P1 Mo1 P5 160.41(2) . . ?
N1 Mo1 P2 173.04(6) . . ?
P3 Mo1 P2 86.41(2) . . ?
P1 Mo1 P2 90.53(2) . . ?
P5 Mo1 P2 98.19(2) . . ?
N1 Mo1 P4 89.71(6) . . ?
P3 Mo1 P4 157.64(2) . . ?
P1 Mo1 P4 94.58(2) . . ?
P5 Mo1 P4 67.25(2) . . ?
P2 Mo1 P4 95.50(2) . . ?
N2 N1 Mo1 179.2(2) . . ?
C21 P1 C1 101.29(12) . . ?
C21 P1 C11 96.41(12) . . ?
C1 P1 C11 96.20(11) . . ?
C21 P1 Mo1 114.64(8) . . ?
C1 P1 Mo1 121.32(8) . . ?
C11 P1 Mo1 122.21(8) . . ?
C2 C1 P1 115.90(17) . . ?
C1 C2 C3 115.2(2) . . ?
C2 C3 P2 115.03(18) . . ?
C3 P2 C31 100.20(11) . . ?
C3 P2 C4 98.44(12) . . ?
C31 P2 C4 95.77(11) . . ?
C3 P2 Mo1 116.48(9) . . ?
C31 P2 Mo1 121.69(8) . . ?
C4 P2 Mo1 119.63(8) . . ?
C5 C4 P2 116.12(18) . . ?
C6 C5 C4 114.2(2) . . ?
C5 C6 P3 112.42(17) . . ?
C41 P3 C6 101.32(11) . . ?
C41 P3 C51 99.58(11) . . ?
C6 P3 C51 95.39(11) . . ?
C41 P3 Mo1 113.32(8) . . ?
C6 P3 Mo1 115.35(8) . . ?
C51 P3 Mo1 127.60(8) . . ?
C12 C11 C16 118.0(2) . . ?
C12 C11 P1 120.82(19) . . ?
C16 C11 P1 121.1(2) . . ?
C11 C12 C13 121.1(3) . . ?
C14 C13 C12 120.2(3) . . ?
C13 C14 C15 120.0(3) . . ?
C14 C15 C16 119.9(3) . . ?
C15 C16 C11 120.8(3) . . ?
C22 C21 C26 117.5(3) . . ?
C22 C21 P1 118.6(2) . . ?
C26 C21 P1 123.8(2) . . ?
C21 C22 C23 120.9(3) . . ?
C24 C23 C22 120.3(4) . . ?
C25 C24 C23 119.7(3) . . ?
C24 C25 C26 120.2(3) . . ?
C25 C26 C21 121.4(3) . . ?
C36 C31 C32 117.1(2) . . ?
C36 C31 P2 117.75(18) . . ?
C32 C31 P2 125.07(19) . . ?
C33 C32 C31 121.3(2) . . ?
C34 C33 C32 120.8(2) . . ?
C33 C34 C35 118.6(2) . . ?
C36 C35 C34 120.3(3) . . ?
C35 C36 C31 121.8(2) . . ?
C46 C41 C42 117.8(2) . . ?
C46 C41 P3 119.25(19) . . ?
C42 C41 P3 122.7(2) . . ?
C43 C42 C41 120.8(3) . . ?
C44 C43 C42 120.3(3) . . ?
C43 C44 C45 119.9(3) . . ?
C44 C45 C46 120.0(3) . . ?
C41 C46 C45 121.0(3) . . ?
C56 C51 C52 117.9(2) . . ?
C56 C51 P3 119.44(18) . . ?
C52 C51 P3 122.40(18) . . ?
C53 C52 C51 120.5(2) . . ?
C54 C53 C52 121.0(2) . . ?
C53 C54 C55 119.1(2) . . ?
C54 C55 C56 119.8(2) . . ?
C51 C56 C55 121.6(2) . . ?
C61 P4 C62 99.37(13) . . ?
C61 P4 C63 100.43(12) . . ?
C62 P4 C63 105.36(12) . . ?
C61 P4 Mo1 120.59(9) . . ?
C62 P4 Mo1 129.52(9) . . ?
C63 P4 Mo1 96.88(8) . . ?
P5 C63 P4 94.68(11) . . ?
C65 P5 C63 102.07(12) . . ?
C65 P5 C64 98.25(13) . . ?
C63 P5 C64 103.89(12) . . ?
C65 P5 Mo1 116.20(9) . . ?
C63 P5 Mo1 97.98(8) . . ?
C64 P5 Mo1 133.95(9) . . ?

_refine_diff_density_max         0.444
_refine_diff_density_min         -0.481
_refine_diff_density_rms         0.059

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_felix139
_database_code_depnum_ccdc_archive 'CCDC 1483660'
_audit_update_record             
;
2016-06-06 deposited with the CCDC.
2016-08-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H47 Mo N2 P5'
_chemical_formula_weight         746.53

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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_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                   9.4524(2)
_cell_length_b                   18.9236(3)
_cell_length_c                   20.0445(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.240(2)
_cell_angle_gamma                90
_cell_volume                     3579.70(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    46604
_cell_measurement_theta_min      1.481
_cell_measurement_theta_max      26.004

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_F_000             1552
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.11
_exptl_absorpt_coefficient_mu    0.617
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7655
_exptl_absorpt_correction_T_max  0.9339
_exptl_absorpt_process_details   'X-Red and X-Shape'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  IPDS-2
_diffrn_measurement_method       'Omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46604
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.481
_diffrn_reflns_theta_max         26.004
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7030
_reflns_number_gt                6495
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'X-Area (Stoe, 2008)'
_computing_cell_refinement       'X-Area (Stoe, 2008)'
_computing_data_reduction        'X-Area (Stoe, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0538P)²+1.2655P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0013(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7030
_refine_ls_number_parameters     397
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0323
_refine_ls_wR_factor_ref         0.0891
_refine_ls_wR_factor_gt          0.0868
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.52318(2) 0.70081(2) 0.27326(2) 0.02921(8) Uani 1 1 d . . . . .
N1 N 0.31527(19) 0.71087(9) 0.24308(9) 0.0347(4) Uani 1 1 d . . . . .
N2 N 0.2020(2) 0.71729(11) 0.22520(11) 0.0468(5) Uani 1 1 d . . . . .
P1 P 0.44945(6) 0.67832(3) 0.38542(3) 0.03379(13) Uani 1 1 d . . . . .
C1 C 0.5830(2) 0.65758(14) 0.45445(11) 0.0443(5) Uani 1 1 d . . . . .
H1A H 0.5475 0.6761 0.4966 0.053 Uiso 1 1 calc R U . . .
H1B H 0.5894 0.6056 0.4589 0.053 Uiso 1 1 calc R U . . .
C2 C 0.7329(3) 0.68653(16) 0.44739(13) 0.0515(6) Uani 1 1 d . . . . .
H2A H 0.7264 0.7377 0.4372 0.062 Uiso 1 1 calc R U . . .
H2B H 0.7874 0.6812 0.4907 0.062 Uiso 1 1 calc R U . . .
C3 C 0.8141(3) 0.65013(15) 0.39311(13) 0.0504(6) Uani 1 1 d . . . . .
H3A H 0.7933 0.5989 0.3936 0.060 Uiso 1 1 calc R U . . .
H3B H 0.9171 0.6562 0.4034 0.060 Uiso 1 1 calc R U . . .
P2 P 0.76807(6) 0.68540(3) 0.30892(3) 0.03789(14) Uani 1 1 d . . . . .
H2 H 0.863(2) 0.7441(11) 0.3169(10) 0.024(5) Uiso 1 1 d . . . . .
C4 C 0.8896(2) 0.63372(13) 0.25861(13) 0.0459(5) Uani 1 1 d . . . . .
H4A H 0.9130 0.6623 0.2193 0.055 Uiso 1 1 calc R U . . .
H4B H 0.9789 0.6256 0.2858 0.055 Uiso 1 1 calc R U . . .
C5 C 0.8318(2) 0.56241(13) 0.23408(13) 0.0455(5) Uani 1 1 d . . . . .
H5A H 0.8005 0.5354 0.2729 0.055 Uiso 1 1 calc R U . . .
H5B H 0.9095 0.5355 0.2148 0.055 Uiso 1 1 calc R U . . .
C6 C 0.7081(2) 0.56728(12) 0.18181(12) 0.0403(5) Uani 1 1 d . . . . .
H6A H 0.6995 0.5219 0.1573 0.048 Uiso 1 1 calc R U . . .
H6B H 0.7285 0.6047 0.1492 0.048 Uiso 1 1 calc R U . . .
P3 P 0.53712(5) 0.58722(3) 0.21916(3) 0.03189(13) Uani 1 1 d . . . . .
C11 C 0.3523(2) 0.75366(12) 0.42025(11) 0.0387(5) Uani 1 1 d . . . . .
C12 C 0.4157(3) 0.80421(12) 0.46243(12) 0.0443(5) Uani 1 1 d . . . . .
H12 H 0.5106 0.7976 0.4796 0.053 Uiso 1 1 calc R U . . .
C13 C 0.3411(3) 0.86467(13) 0.47990(13) 0.0506(6) Uani 1 1 d . . . . .
H13 H 0.3861 0.8993 0.5081 0.061 Uiso 1 1 calc R U . . .
C14 C 0.2028(3) 0.87422(14) 0.45641(13) 0.0508(6) Uani 1 1 d . . . . .
H14 H 0.1533 0.9159 0.4674 0.061 Uiso 1 1 calc R U . . .
C15 C 0.1365(3) 0.82339(14) 0.41707(13) 0.0477(6) Uani 1 1 d . . . . .
H15 H 0.0397 0.8289 0.4025 0.057 Uiso 1 1 calc R U . . .
C16 C 0.2106(3) 0.76393(13) 0.39853(12) 0.0430(5) Uani 1 1 d . . . . .
H16 H 0.1642 0.7295 0.3706 0.052 Uiso 1 1 calc R U . . .
C21 C 0.3173(2) 0.60950(11) 0.40408(11) 0.0365(5) Uani 1 1 d . . . . .
C22 C 0.2884(3) 0.59198(14) 0.46967(12) 0.0485(6) Uani 1 1 d . . . . .
H22 H 0.3316 0.6183 0.5057 0.058 Uiso 1 1 calc R U . . .
C23 C 0.1980(3) 0.53703(16) 0.48291(15) 0.0597(7) Uani 1 1 d . . . . .
H23 H 0.1812 0.5250 0.5278 0.072 Uiso 1 1 calc R U . . .
C24 C 0.1324(3) 0.49973(15) 0.43114(16) 0.0594(7) Uani 1 1 d . . . . .
H24 H 0.0715 0.4614 0.4402 0.071 Uiso 1 1 calc R U . . .
C25 C 0.1548(3) 0.51797(14) 0.36599(15) 0.0542(6) Uani 1 1 d . . . . .
H25 H 0.1072 0.4932 0.3301 0.065 Uiso 1 1 calc R U . . .
C26 C 0.2473(2) 0.57259(13) 0.35289(12) 0.0434(5) Uani 1 1 d . . . . .
H26 H 0.2626 0.5848 0.3079 0.052 Uiso 1 1 calc R U . . .
C31 C 0.5163(2) 0.50009(12) 0.26019(11) 0.0354(4) Uani 1 1 d . . . . .
C32 C 0.5341(2) 0.49597(13) 0.32930(12) 0.0417(5) Uani 1 1 d . . . . .
H32 H 0.5597 0.5371 0.3543 0.050 Uiso 1 1 calc R U . . .
C33 C 0.5151(3) 0.43260(14) 0.36245(13) 0.0502(6) Uani 1 1 d . . . . .
H33 H 0.5267 0.4309 0.4098 0.060 Uiso 1 1 calc R U . . .
C34 C 0.4794(2) 0.37207(13) 0.32694(14) 0.0492(6) Uani 1 1 d . . . . .
H34 H 0.4643 0.3289 0.3497 0.059 Uiso 1 1 calc R U . . .
C35 C 0.4658(2) 0.37475(13) 0.25814(14) 0.0463(5) Uani 1 1 d . . . . .
H35 H 0.4441 0.3329 0.2334 0.056 Uiso 1 1 calc R U . . .
C36 C 0.4836(2) 0.43824(12) 0.22479(12) 0.0404(5) Uani 1 1 d . . . . .
H36 H 0.4734 0.4395 0.1774 0.048 Uiso 1 1 calc R U . . .
C41 C 0.4116(2) 0.57559(11) 0.14614(11) 0.0348(4) Uani 1 1 d . . . . .
C42 C 0.2698(2) 0.56035(13) 0.15563(11) 0.0427(5) Uani 1 1 d . . . . .
H42 H 0.2404 0.5530 0.1997 0.051 Uiso 1 1 calc R U . . .
C43 C 0.1708(3) 0.55569(15) 0.10209(12) 0.0487(6) Uani 1 1 d . . . . .
H43 H 0.0749 0.5450 0.1098 0.058 Uiso 1 1 calc R U . . .
C44 C 0.2104(3) 0.56649(14) 0.03770(12) 0.0477(6) Uani 1 1 d . . . . .
H44 H 0.1427 0.5631 0.0010 0.057 Uiso 1 1 calc R U . . .
C45 C 0.3500(3) 0.58232(16) 0.02754(13) 0.0533(6) Uani 1 1 d . . . . .
H45 H 0.3785 0.5904 -0.0165 0.064 Uiso 1 1 calc R U . . .
C46 C 0.4485(3) 0.58653(14) 0.08087(12) 0.0483(6) Uani 1 1 d . . . . .
H46 H 0.5442 0.5972 0.0727 0.058 Uiso 1 1 calc R U . . .
P4 P 0.54845(6) 0.82747(3) 0.29135(3) 0.03321(13) Uani 1 1 d . . . . .
P5 P 0.58125(6) 0.76335(3) 0.17184(3) 0.03549(14) Uani 1 1 d . . . . .
C51 C 0.6651(3) 0.87288(13) 0.35397(12) 0.0459(5) Uani 1 1 d . . . . .
H51A H 0.6724 0.9229 0.3421 0.069 Uiso 1 1 calc R U . . .
H51B H 0.7595 0.8513 0.3553 0.069 Uiso 1 1 calc R U . . .
H51C H 0.6257 0.8687 0.3980 0.069 Uiso 1 1 calc R U . . .
C52 C 0.3960(2) 0.88640(12) 0.29011(12) 0.0439(5) Uani 1 1 d . . . . .
H52A H 0.3490 0.8820 0.3323 0.066 Uiso 1 1 calc R U . . .
H52B H 0.3293 0.8736 0.2528 0.066 Uiso 1 1 calc R U . . .
H52C H 0.4276 0.9353 0.2845 0.066 Uiso 1 1 calc R U . . .
C53 C 0.6302(2) 0.84791(12) 0.21197(11) 0.0383(5) Uani 1 1 d . . . . .
H53A H 0.5857 0.8890 0.1885 0.046 Uiso 1 1 calc R U . . .
H53B H 0.7340 0.8547 0.2177 0.046 Uiso 1 1 calc R U . . .
C54 C 0.4355(3) 0.78772(15) 0.11239(14) 0.0551(7) Uani 1 1 d . . . . .
H54A H 0.3582 0.8083 0.1366 0.083 Uiso 1 1 calc R U . . .
H54B H 0.4013 0.7455 0.0882 0.083 Uiso 1 1 calc R U . . .
H54C H 0.4691 0.8224 0.0806 0.083 Uiso 1 1 calc R U . . .
C55 C 0.7206(3) 0.75117(15) 0.11239(13) 0.0524(6) Uani 1 1 d . . . . .
H55A H 0.7304 0.7945 0.0863 0.079 Uiso 1 1 calc R U . . .
H55B H 0.6950 0.7119 0.0822 0.079 Uiso 1 1 calc R U . . .
H55C H 0.8107 0.7406 0.1370 0.079 Uiso 1 1 calc R U . . .


_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
Mo1 N1 2.0323(19) . ?
Mo1 P2 2.4015(6) . ?
Mo1 P3 2.4146(6) . ?
Mo1 P1 2.4287(6) . ?
Mo1 P4 2.4338(6) . ?
Mo1 P5 2.4414(6) . ?
N1 N2 1.116(3) . ?
P1 C11 1.853(2) . ?
P1 C21 1.857(2) . ?
P1 C1 1.861(2) . ?
C1 C2 1.533(4) . ?
C2 C3 1.530(4) . ?
C3 P2 1.844(3) . ?
P2 C4 1.851(2) . ?
C4 C5 1.527(3) . ?
C5 C6 1.528(3) . ?
C6 P3 1.858(2) . ?
P3 C41 1.844(2) . ?
P3 C31 1.858(2) . ?
C11 C12 1.390(3) . ?
C11 C16 1.399(3) . ?
C12 C13 1.399(3) . ?
C13 C14 1.376(4) . ?
C14 C15 1.373(4) . ?
C15 C16 1.387(3) . ?
C21 C26 1.379(3) . ?
C21 C22 1.398(3) . ?
C22 C23 1.381(4) . ?
C23 C24 1.374(4) . ?
C24 C25 1.379(4) . ?
C25 C26 1.388(3) . ?
C31 C32 1.388(3) . ?
C31 C36 1.394(3) . ?
C32 C33 1.388(3) . ?
C33 C34 1.380(4) . ?
C34 C35 1.379(4) . ?
C35 C36 1.390(3) . ?
C41 C46 1.388(3) . ?
C41 C42 1.395(3) . ?
C42 C43 1.386(3) . ?
C43 C44 1.379(3) . ?
C44 C45 1.379(4) . ?
C45 C46 1.380(4) . ?
P4 C52 1.821(2) . ?
P4 C51 1.837(2) . ?
P4 C53 1.848(2) . ?
P5 C54 1.829(3) . ?
P5 C53 1.838(2) . ?
P5 C55 1.840(2) . ?

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 Mo1 P2 178.39(5) . . ?
N1 Mo1 P3 91.49(5) . . ?
P2 Mo1 P3 87.10(2) . . ?
N1 Mo1 P1 88.21(5) . . ?
P2 Mo1 P1 91.46(2) . . ?
P3 Mo1 P1 106.59(2) . . ?
N1 Mo1 P4 92.13(5) . . ?
P2 Mo1 P4 89.45(2) . . ?
P3 Mo1 P4 159.428(19) . . ?
P1 Mo1 P4 93.762(19) . . ?
N1 Mo1 P5 88.05(5) . . ?
P2 Mo1 P5 92.77(2) . . ?
P3 Mo1 P5 92.120(19) . . ?
P1 Mo1 P5 161.01(2) . . ?
P4 Mo1 P5 67.785(19) . . ?
N2 N1 Mo1 178.32(19) . . ?
C11 P1 C21 96.35(10) . . ?
C11 P1 C1 102.22(11) . . ?
C21 P1 C1 97.93(11) . . ?
C11 P1 Mo1 112.83(7) . . ?
C21 P1 Mo1 122.74(7) . . ?
C1 P1 Mo1 120.47(8) . . ?
C2 C1 P1 116.58(17) . . ?
C3 C2 C1 114.1(2) . . ?
C2 C3 P2 112.70(18) . . ?
C3 P2 C4 100.71(12) . . ?
C3 P2 Mo1 119.34(8) . . ?
C4 P2 Mo1 121.32(8) . . ?
C5 C4 P2 114.85(16) . . ?
C4 C5 C6 114.4(2) . . ?
C5 C6 P3 112.66(16) . . ?
C41 P3 C31 99.55(10) . . ?
C41 P3 C6 101.02(10) . . ?
C31 P3 C6 96.59(10) . . ?
C41 P3 Mo1 114.44(7) . . ?
C31 P3 Mo1 125.55(7) . . ?
C6 P3 Mo1 115.62(8) . . ?
C12 C11 C16 117.8(2) . . ?
C12 C11 P1 123.57(19) . . ?
C16 C11 P1 118.41(18) . . ?
C11 C12 C13 120.6(2) . . ?
C14 C13 C12 120.3(2) . . ?
C15 C14 C13 119.9(2) . . ?
C14 C15 C16 120.1(2) . . ?
C15 C16 C11 121.2(2) . . ?
C26 C21 C22 117.9(2) . . ?
C26 C21 P1 120.35(17) . . ?
C22 C21 P1 121.68(18) . . ?
C23 C22 C21 121.0(2) . . ?
C24 C23 C22 120.0(3) . . ?
C23 C24 C25 120.0(2) . . ?
C24 C25 C26 119.9(3) . . ?
C21 C26 C25 121.1(2) . . ?
C32 C31 C36 118.1(2) . . ?
C32 C31 P3 118.79(17) . . ?
C36 C31 P3 123.08(17) . . ?
C33 C32 C31 121.0(2) . . ?
C34 C33 C32 120.3(2) . . ?
C35 C34 C33 119.4(2) . . ?
C34 C35 C36 120.4(2) . . ?
C35 C36 C31 120.7(2) . . ?
C46 C41 C42 117.0(2) . . ?
C46 C41 P3 123.08(17) . . ?
C42 C41 P3 119.76(16) . . ?
C43 C42 C41 121.3(2) . . ?
C44 C43 C42 120.5(2) . . ?
C45 C44 C43 118.9(2) . . ?
C44 C45 C46 120.5(2) . . ?
C45 C46 C41 121.8(2) . . ?
C52 P4 C51 99.61(12) . . ?
C52 P4 C53 103.24(11) . . ?
C51 P4 C53 103.08(11) . . ?
C52 P4 Mo1 122.01(8) . . ?
C51 P4 Mo1 127.77(9) . . ?
C53 P4 Mo1 96.90(7) . . ?
C54 P5 C53 103.13(12) . . ?
C54 P5 C55 98.62(14) . . ?
C53 P5 C55 102.76(11) . . ?
C54 P5 Mo1 117.93(10) . . ?
C53 P5 Mo1 96.91(7) . . ?
C55 P5 Mo1 132.96(10) . . ?
P5 C53 P4 95.02(10) . . ?

_refine_diff_density_max         0.622
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.064

_shelxl_version_number           2014-3

