# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_l1
_database_code_depnum_ccdc_archive 'CCDC 2086453'
loop_
_audit_author_name
_audit_author_address
'Jan Kotek'
;Faculty of Science, Charles University, Prague
Czech Republic
;
_audit_update_record             
;
2022-01-07 deposited with the CCDC.	2022-05-31 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT430_l1                  
;
PROBLEM: Short Inter D...A Contact  O12      ..O6V      .       2.84 Ang.
RESPONSE: Probable hydrogen bond between a phosphinate oxygen atom and disordered water molecule; hydrogen atoms of the water molecule cannot be located due to the disorder.
;
# Added during the CSD deposition process: Friday 07 January 2022 12:26 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C13 H33 N4 O8 P3, 6(H2 O)'
_chemical_formula_sum            'C13 H45 N4 O14 P3'
_chemical_formula_weight         574.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-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                   13.2069(4)
_cell_length_b                   16.4828(6)
_cell_length_c                   22.8799(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4980.6(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9979
_cell_measurement_theta_min      3.8640
_cell_measurement_theta_max      66.6436

_exptl_crystal_description       bar
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_F_000             2464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.074
_exptl_crystal_size_min          0.052
_exptl_absorpt_coefficient_mu    2.857
_shelx_estimated_absorpt_T_min   0.402
_shelx_estimated_absorpt_T_max   0.866
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'I\mS micro-focus sealed tube'
_diffrn_radiation_monochromator  'Quazar Mo multilayer optic'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTON 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            25681
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.864
_diffrn_reflns_theta_max         66.698
_diffrn_reflns_theta_full        66.698
_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             4397
_reflns_number_gt                3772
_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       'Bruker Instrument Service vV6.2.10'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (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)+(0.0823P)²+9.4912P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4397
_refine_ls_number_parameters     379
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0533
_refine_ls_wR_factor_ref         0.1463
_refine_ls_wR_factor_gt          0.1403
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.058
_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
N1 N 0.74538(19) 0.46009(15) 0.81179(10) 0.0138(5) Uani 1 1 d . . . . .
C2 C 0.6549(2) 0.41966(18) 0.83506(13) 0.0169(6) Uani 1 1 d . . . . .
H21 H 0.6540 0.4253 0.8781 0.020 Uiso 1 1 calc R U . . .
H22 H 0.6583 0.3611 0.8257 0.020 Uiso 1 1 calc R U . . .
C3 C 0.5578(2) 0.45447(18) 0.81034(13) 0.0162(6) Uani 1 1 d . . . . .
H31 H 0.5513 0.4376 0.7690 0.019 Uiso 1 1 calc R U . . .
H32 H 0.4996 0.4315 0.8321 0.019 Uiso 1 1 calc R U . . .
N4 N 0.5532(2) 0.54496(16) 0.81363(11) 0.0142(5) Uani 1 1 d . . . . .
H41 H 0.595(3) 0.563(2) 0.7877(15) 0.013(9) Uiso 1 1 d . . . . .
H42 H 0.495(3) 0.559(2) 0.8034(18) 0.031(11) Uiso 1 1 d . . . . .
C5 C 0.5764(2) 0.57967(18) 0.87203(12) 0.0153(6) Uani 1 1 d . . . . .
H51 H 0.6470 0.5664 0.8830 0.018 Uiso 1 1 calc R U . . .
H52 H 0.5308 0.5556 0.9017 0.018 Uiso 1 1 calc R U . . .
C6 C 0.5628(3) 0.67077(19) 0.87106(14) 0.0215(7) Uani 1 1 d . . . . .
H61 H 0.4922 0.6834 0.8597 0.026 Uiso 1 1 calc R U . . .
H62 H 0.6080 0.6941 0.8409 0.026 Uiso 1 1 calc R U . . .
C7 C 0.5855(3) 0.71104(19) 0.92963(14) 0.0210(7) Uani 1 1 d . . . . .
H71 H 0.5741 0.7702 0.9257 0.025 Uiso 1 1 calc R U . . .
H72 H 0.5367 0.6904 0.9590 0.025 Uiso 1 1 calc R U . . .
N8 N 0.6900(2) 0.69761(17) 0.95204(12) 0.0177(6) Uani 1 1 d . . . . .
H81 H 0.700(3) 0.649(2) 0.9628(15) 0.014(8) Uiso 1 1 d . . . . .
H82 H 0.694(3) 0.724(3) 0.9846(19) 0.031(11) Uiso 1 1 d . . . . .
C9 C 0.7725(3) 0.7275(2) 0.91311(15) 0.0236(7) Uani 1 1 d . . . . .
H91 H 0.7734 0.7876 0.9140 0.028 Uiso 1 1 calc R U . . .
H92 H 0.7582 0.7104 0.8725 0.028 Uiso 1 1 calc R U . . .
C10 C 0.8757(3) 0.6960(2) 0.93094(15) 0.0245(7) Uani 1 1 d . . . . .
H101 H 0.9283 0.7298 0.9121 0.029 Uiso 1 1 calc R U . . .
H102 H 0.8832 0.7023 0.9738 0.029 Uiso 1 1 calc R U . . .
N11 N 0.8942(2) 0.60868(17) 0.91524(12) 0.0191(6) Uani 1 1 d . . . . .
H111 H 0.960(4) 0.592(3) 0.9286(19) 0.045(13) Uiso 1 1 d . . . . .
H112 H 0.851(3) 0.576(2) 0.9338(17) 0.024(10) Uiso 1 1 d . . . . .
C12 C 0.8926(2) 0.5917(2) 0.85070(13) 0.0211(7) Uani 1 1 d . . . . .
H121 H 0.9412 0.6282 0.8308 0.025 Uiso 1 1 calc R U . . .
H122 H 0.8242 0.6034 0.8351 0.025 Uiso 1 1 calc R U . . .
C13 C 0.9200(2) 0.5043(2) 0.83731(14) 0.0214(7) Uani 1 1 d . . . . .
H131 H 0.9792 0.4888 0.8614 0.026 Uiso 1 1 calc R U . . .
H132 H 0.9405 0.5004 0.7958 0.026 Uiso 1 1 calc R U . . .
C14 C 0.8345(2) 0.4437(2) 0.84859(13) 0.0189(7) Uani 1 1 d . . . . .
H141 H 0.8593 0.3881 0.8407 0.023 Uiso 1 1 calc R U . . .
H142 H 0.8145 0.4465 0.8902 0.023 Uiso 1 1 calc R U . . .
C15 C 0.7630(2) 0.44011(18) 0.74939(13) 0.0160(6) Uani 1 1 d . . . . .
H151 H 0.7099 0.4021 0.7359 0.019 Uiso 1 1 calc R U . . .
H152 H 0.8292 0.4126 0.7454 0.019 Uiso 1 1 calc R U . . .
P1 P 0.76163(6) 0.52971(5) 0.70345(3) 0.0146(2) Uani 1 1 d . . . . .
O11 O 0.66528(17) 0.57645(15) 0.71647(9) 0.0232(5) Uani 1 1 d . . . . .
O12 O 0.85728(16) 0.57886(13) 0.71035(9) 0.0176(5) Uani 1 1 d . . . . .
C16 C 0.7552(2) 0.48932(19) 0.62979(13) 0.0168(6) Uani 1 1 d . . . . .
H161 H 0.8022 0.4428 0.6266 0.020 Uiso 1 1 calc R U . . .
H162 H 0.6858 0.4688 0.6227 0.020 Uiso 1 1 calc R U . . .
C17 C 0.7821(2) 0.55258(18) 0.58136(12) 0.0122(6) Uani 1 1 d . . . . .
H171 H 0.8369 0.5871 0.5984 0.015 Uiso 1 1 calc R U . . .
P2 P 0.83919(5) 0.50214(4) 0.51865(3) 0.0108(2) Uani 1 1 d . . . . .
O21 O 0.88994(17) 0.57348(13) 0.48364(9) 0.0159(5) Uani 1 1 d . . . . .
H211 H 0.955(4) 0.569(3) 0.480(2) 0.047(13) Uiso 1 1 d . . . . .
O22 O 0.76046(16) 0.46048(13) 0.48176(9) 0.0177(5) Uani 1 1 d . . . . .
O23 O 0.92064(15) 0.44556(13) 0.54099(9) 0.0172(5) Uani 1 1 d . . . . .
P3 P 0.67907(6) 0.62172(5) 0.56438(4) 0.0198(2) Uani 1 1 d D . . . .
O31 O 0.6525(2) 0.66255(18) 0.62641(12) 0.0253(9) Uani 0.780(6) 1 d . . P A 1
H311 H 0.6597 0.6321 0.6583 0.058(19) Uiso 0.780(6) 1 d R . P A 1
O32 O 0.5887(2) 0.57263(18) 0.54590(14) 0.0257(9) Uani 0.780(6) 1 d . . P A 1
O33 O 0.7161(3) 0.6878(3) 0.52823(19) 0.0302(9) Uani 0.780(6) 1 d . . P A 1
O34 O 0.6542(10) 0.6109(8) 0.4956(2) 0.044(4) Uani 0.220(6) 1 d D . P A 2
H341 H 0.7036 0.5661 0.4914 0.053 Uiso 0.220(6) 1 d R U P A 2
O35 O 0.7215(11) 0.7145(8) 0.5572(7) 0.032(3) Uani 0.220(6) 1 d . . P A 2
O36 O 0.5909(9) 0.6193(9) 0.5954(7) 0.050(5) Uani 0.220(6) 1 d . . P A 2
O1W O 0.9332(2) 0.31437(15) 0.61488(11) 0.0275(6) Uani 1 1 d . . . . .
H11W H 0.926(5) 0.352(4) 0.586(3) 0.09(2) Uiso 1 1 d . . . . .
H12W H 0.882(4) 0.279(3) 0.607(2) 0.044(13) Uiso 1 1 d . . . . .
O2W O 0.4628(2) 0.5896(2) 0.45499(14) 0.0525(8) Uani 1 1 d . . . . .
H21W H 0.5286 0.5921 0.4763 0.063 Uiso 1 1 d R U . . .
H22W H 0.4250 0.5383 0.4530 0.063 Uiso 1 1 d R U . . .
O3W O 0.9238(3) 0.2707(3) 0.73459(15) 0.0802(13) Uani 1 1 d . . . . .
H31W H 0.9802 0.2802 0.7607 0.096 Uiso 1 1 d R U . . .
H32W H 0.9388 0.2962 0.7055 0.096 Uiso 1 1 d R U . . .
O4W O 1.1408(3) 0.2880(2) 0.9034(2) 0.0890(14) Uani 1 1 d . . . . .
H41W H 1.1339 0.3105 0.8670 0.107 Uiso 1 1 d R U . . .
H42W H 1.1199 0.3260 0.9249 0.107 Uiso 1 1 d R U . . .
O5W O 1.2222(7) 0.2261(8) 0.7363(6) 0.071(3) Uani 0.663(6) 1 d . . P B 1
O5V O 1.2636(17) 0.2327(18) 0.7364(14) 0.071(3) Uani 0.337(6) 1 d . . P B 2
O6W O 1.0859(5) 0.3105(3) 0.7958(3) 0.0658(14) Uani 0.663(6) 1 d . . P B 1
O6V O 1.1314(9) 0.2491(7) 0.7710(5) 0.0658(14) Uani 0.337(6) 1 d . . P B 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
N1 C2 1.469(4) . ?
N1 C14 1.472(4) . ?
N1 C15 1.483(4) . ?
C2 C3 1.514(4) . ?
C2 H21 0.9900 . ?
C2 H22 0.9900 . ?
C3 N4 1.495(4) . ?
C3 H31 0.9900 . ?
C3 H32 0.9900 . ?
N4 C5 1.485(4) . ?
N4 H41 0.87(4) . ?
N4 H42 0.84(5) . ?
C5 C6 1.512(4) . ?
C5 H51 0.9900 . ?
C5 H52 0.9900 . ?
C6 C7 1.525(4) . ?
C6 H61 0.9900 . ?
C6 H62 0.9900 . ?
C7 N8 1.490(4) . ?
C7 H71 0.9900 . ?
C7 H72 0.9900 . ?
N8 C9 1.491(4) . ?
N8 H81 0.85(4) . ?
N8 H82 0.87(4) . ?
C9 C10 1.514(5) . ?
C9 H91 0.9900 . ?
C9 H92 0.9900 . ?
C10 N11 1.503(4) . ?
C10 H101 0.9900 . ?
C10 H102 0.9900 . ?
N11 C12 1.503(4) . ?
N11 H111 0.96(5) . ?
N11 H112 0.89(4) . ?
C12 C13 1.516(5) . ?
C12 H121 0.9900 . ?
C12 H122 0.9900 . ?
C13 C14 1.530(5) . ?
C13 H131 0.9900 . ?
C13 H132 0.9900 . ?
C14 H141 0.9900 . ?
C14 H142 0.9900 . ?
C15 P1 1.813(3) . ?
C15 H151 0.9900 . ?
C15 H152 0.9900 . ?
P1 O12 1.509(2) . ?
P1 O11 1.517(2) . ?
P1 C16 1.814(3) . ?
C16 C17 1.563(4) . ?
C16 H161 0.9900 . ?
C16 H162 0.9900 . ?
C17 P3 1.817(3) . ?
C17 P2 1.822(3) . ?
C17 H171 1.0000 . ?
P2 O22 1.505(2) . ?
P2 O23 1.513(2) . ?
P2 O21 1.573(2) . ?
O21 H211 0.86(5) . ?
P3 O36 1.365(11) . ?
P3 O33 1.452(4) . ?
P3 O32 1.502(3) . ?
P3 O31 1.610(3) . ?
P3 O34 1.617(4) . ?
P3 O35 1.638(14) . ?
O31 H311 0.8898 . ?
O34 H341 0.9891 . ?
O1W H11W 0.91(7) . ?
O1W H12W 0.91(5) . ?
O2W H21W 0.9971 . ?
O2W H22W 0.9823 . ?
O3W H31W 0.9666 . ?
O3W H32W 0.8112 . ?
O4W H41W 0.9159 . ?
O4W H42W 0.8426 . ?

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 N1 C14 111.1(2) . . ?
C2 N1 C15 112.1(2) . . ?
C14 N1 C15 112.6(2) . . ?
N1 C2 C3 112.4(2) . . ?
N1 C2 H21 109.1 . . ?
C3 C2 H21 109.1 . . ?
N1 C2 H22 109.1 . . ?
C3 C2 H22 109.1 . . ?
H21 C2 H22 107.8 . . ?
N4 C3 C2 113.2(2) . . ?
N4 C3 H31 108.9 . . ?
C2 C3 H31 108.9 . . ?
N4 C3 H32 108.9 . . ?
C2 C3 H32 108.9 . . ?
H31 C3 H32 107.8 . . ?
C5 N4 C3 114.9(2) . . ?
C5 N4 H41 110(2) . . ?
C3 N4 H41 107(2) . . ?
C5 N4 H42 109(3) . . ?
C3 N4 H42 108(3) . . ?
H41 N4 H42 107(4) . . ?
N4 C5 C6 110.2(2) . . ?
N4 C5 H51 109.6 . . ?
C6 C5 H51 109.6 . . ?
N4 C5 H52 109.6 . . ?
C6 C5 H52 109.6 . . ?
H51 C5 H52 108.1 . . ?
C5 C6 C7 113.3(3) . . ?
C5 C6 H61 108.9 . . ?
C7 C6 H61 108.9 . . ?
C5 C6 H62 108.9 . . ?
C7 C6 H62 108.9 . . ?
H61 C6 H62 107.7 . . ?
N8 C7 C6 114.8(3) . . ?
N8 C7 H71 108.6 . . ?
C6 C7 H71 108.6 . . ?
N8 C7 H72 108.6 . . ?
C6 C7 H72 108.6 . . ?
H71 C7 H72 107.5 . . ?
C7 N8 C9 115.0(3) . . ?
C7 N8 H81 113(2) . . ?
C9 N8 H81 112(2) . . ?
C7 N8 H82 106(3) . . ?
C9 N8 H82 108(3) . . ?
H81 N8 H82 103(4) . . ?
N8 C9 C10 112.5(3) . . ?
N8 C9 H91 109.1 . . ?
C10 C9 H91 109.1 . . ?
N8 C9 H92 109.1 . . ?
C10 C9 H92 109.1 . . ?
H91 C9 H92 107.8 . . ?
N11 C10 C9 114.3(3) . . ?
N11 C10 H101 108.7 . . ?
C9 C10 H101 108.7 . . ?
N11 C10 H102 108.7 . . ?
C9 C10 H102 108.7 . . ?
H101 C10 H102 107.6 . . ?
C12 N11 C10 114.3(3) . . ?
C12 N11 H111 106(3) . . ?
C10 N11 H111 110(3) . . ?
C12 N11 H112 110(2) . . ?
C10 N11 H112 111(2) . . ?
H111 N11 H112 105(4) . . ?
N11 C12 C13 111.9(3) . . ?
N11 C12 H121 109.2 . . ?
C13 C12 H121 109.2 . . ?
N11 C12 H122 109.2 . . ?
C13 C12 H122 109.2 . . ?
H121 C12 H122 107.9 . . ?
C12 C13 C14 114.2(3) . . ?
C12 C13 H131 108.7 . . ?
C14 C13 H131 108.7 . . ?
C12 C13 H132 108.7 . . ?
C14 C13 H132 108.7 . . ?
H131 C13 H132 107.6 . . ?
N1 C14 C13 112.0(3) . . ?
N1 C14 H141 109.2 . . ?
C13 C14 H141 109.2 . . ?
N1 C14 H142 109.2 . . ?
C13 C14 H142 109.2 . . ?
H141 C14 H142 107.9 . . ?
N1 C15 P1 112.1(2) . . ?
N1 C15 H151 109.2 . . ?
P1 C15 H151 109.2 . . ?
N1 C15 H152 109.2 . . ?
P1 C15 H152 109.2 . . ?
H151 C15 H152 107.9 . . ?
O12 P1 O11 114.14(13) . . ?
O12 P1 C15 111.62(13) . . ?
O11 P1 C15 107.95(13) . . ?
O12 P1 C16 109.49(13) . . ?
O11 P1 C16 109.22(14) . . ?
C15 P1 C16 103.90(14) . . ?
C17 C16 P1 113.8(2) . . ?
C17 C16 H161 108.8 . . ?
P1 C16 H161 108.8 . . ?
C17 C16 H162 108.8 . . ?
P1 C16 H162 108.8 . . ?
H161 C16 H162 107.7 . . ?
C16 C17 P3 113.6(2) . . ?
C16 C17 P2 110.4(2) . . ?
P3 C17 P2 115.33(15) . . ?
C16 C17 H171 105.5 . . ?
P3 C17 H171 105.5 . . ?
P2 C17 H171 105.5 . . ?
O22 P2 O23 113.55(12) . . ?
O22 P2 O21 110.48(12) . . ?
O23 P2 O21 109.27(12) . . ?
O22 P2 C17 111.34(13) . . ?
O23 P2 C17 108.03(13) . . ?
O21 P2 C17 103.67(12) . . ?
P2 O21 H211 114(3) . . ?
O33 P3 O32 120.7(2) . . ?
O33 P3 O31 105.2(2) . . ?
O32 P3 O31 107.46(17) . . ?
O36 P3 O34 109.2(8) . . ?
O36 P3 O35 111.8(8) . . ?
O34 P3 O35 94.3(8) . . ?
O36 P3 C17 120.6(6) . . ?
O33 P3 C17 109.86(17) . . ?
O32 P3 C17 108.49(15) . . ?
O31 P3 C17 103.72(14) . . ?
O34 P3 C17 106.9(4) . . ?
O35 P3 C17 110.6(5) . . ?
P3 O31 H311 117.6 . . ?
P3 O34 H341 92.6 . . ?
H11W O1W H12W 103(5) . . ?
H21W O2W H22W 120.0 . . ?
H31W O3W H32W 103.7 . . ?
H41W O4W H42W 101.4 . . ?

_refine_diff_density_max         0.843
_refine_diff_density_min         -0.761
_refine_diff_density_rms         0.092



