# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_tech08
_database_code_depnum_ccdc_archive 'CCDC 2253908'
loop_
_audit_author_name
_audit_author_address
'Wolfgang Frey'
;University of Stuttgart
Germany
;
_audit_update_record             
;
2023-04-04 deposited with the CCDC.	2023-05-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H24 N3 O3 P, H2 O'
_chemical_formula_sum            'C23 H26 N3 O4 P'
_chemical_formula_weight         439.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.2497(10)
_cell_length_b                   15.9458(14)
_cell_length_c                   12.3290(9)
_cell_angle_alpha                90
_cell_angle_beta                 99.129(3)
_cell_angle_gamma                90
_cell_volume                     2183.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    145(2)
_cell_measurement_reflns_used    3010
_cell_measurement_theta_min      1.833
_cell_measurement_theta_max      26.423

_exptl_crystal_description       plate
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_F_000             928
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.706
_exptl_crystal_size_mid          0.274
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    0.161
_shelx_estimated_absorpt_T_min   0.895
_shelx_estimated_absorpt_T_max   0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7158
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      145(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa APEXII Duo'
_diffrn_measurement_method       'Omega + Phi Scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17088
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         1.833
_diffrn_reflns_theta_max         26.423
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4476
_reflns_number_gt                3010
_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 APEXII Software Suite, 2008'
_computing_cell_refinement       'Bruker APEXII Software Suite, 2008'
_computing_data_reduction        'Bruker APEXII Software Suite, 2008'
_computing_structure_solution    'SHELXL-2014/7 (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)+(0.0777P)²+0.4129P] 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         4476
_refine_ls_number_parameters     292
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0889
_refine_ls_R_factor_gt           0.0530
_refine_ls_wR_factor_ref         0.1495
_refine_ls_wR_factor_gt          0.1351
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.047
_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
P1 P 0.65197(6) 0.04761(4) 1.18186(5) 0.03100(19) Uani 1 1 d . . . . .
O1 O 0.56247(14) -0.01720(10) 1.14474(13) 0.0344(4) Uani 1 1 d . . . . .
N1 N 0.8297(2) 0.03588(17) 0.65541(17) 0.0452(6) Uani 1 1 d . . . . .
C1 C 0.8101(2) 0.08761(17) 0.73756(19) 0.0349(6) Uani 1 1 d . . . . .
O2 O 0.64003(17) 0.09219(11) 1.29160(13) 0.0396(5) Uani 1 1 d . . . . .
C2 C 0.7405(2) 0.06341(15) 0.81872(18) 0.0304(5) Uani 1 1 d . . . . .
N2 N 0.9331(2) 0.19107(18) 0.6660(2) 0.0560(7) Uani 1 1 d . . . . .
N3 N 0.6553(2) 0.09191(14) 0.98230(16) 0.0342(5) Uani 1 1 d . . . . .
H3 H 0.599(2) 0.0598(16) 0.956(2) 0.034(7) Uiso 1 1 d . . . . .
O3 O 0.78548(16) 0.01443(12) 1.20188(15) 0.0490(5) Uani 1 1 d . . . . .
C3 C 0.6957(2) -0.01874(16) 0.81242(19) 0.0337(6) Uani 1 1 d . . . . .
H3A H 0.6512 -0.0386 0.8666 0.040 Uiso 1 1 calc R U . . .
C4 C 0.7155(3) -0.07056(18) 0.7285(2) 0.0433(7) Uani 1 1 d . . . . .
H4 H 0.6844 -0.1261 0.7228 0.052 Uiso 1 1 calc R U . . .
C5 C 0.7828(3) -0.0394(2) 0.6514(2) 0.0471(7) Uani 1 1 d . . . . .
H5 H 0.7953 -0.0750 0.5925 0.056 Uiso 1 1 calc R U . . .
C6 C 0.8664(2) 0.16951(18) 0.7456(2) 0.0399(7) Uani 1 1 d . . . . .
C7 C 0.8535(2) 0.22175(17) 0.8342(2) 0.0394(6) Uani 1 1 d . . . . .
C8 C 0.9109(3) 0.3004(2) 0.8410(3) 0.0559(8) Uani 1 1 d . . . . .
H8 H 0.9046 0.3379 0.8997 0.067 Uiso 1 1 calc R U . . .
C9 C 0.9765(3) 0.3212(2) 0.7595(3) 0.0661(10) Uani 1 1 d . . . . .
H9 H 1.0156 0.3741 0.7611 0.079 Uiso 1 1 calc R U . . .
C10 C 0.9856(3) 0.2660(2) 0.6764(3) 0.0653(10) Uani 1 1 d . . . . .
H10 H 1.0327 0.2822 0.6224 0.078 Uiso 1 1 calc R U . . .
C11 C 0.7244(2) 0.12079(15) 0.90669(18) 0.0289(5) Uani 1 1 d . . . . .
C12 C 0.7812(2) 0.19639(16) 0.9137(2) 0.0341(6) Uani 1 1 d . . . . .
H12 H 0.7725 0.2331 0.9726 0.041 Uiso 1 1 calc R U . . .
C13 C 0.6477(2) 0.13442(15) 1.08573(18) 0.0313(5) Uani 1 1 d . . . . .
H13 H 0.7228 0.1681 1.1065 0.038 Uiso 1 1 calc R U . . .
C14 C 0.5409(2) 0.19235(14) 1.08752(18) 0.0292(5) Uani 1 1 d . . . . .
C15 C 0.4396(2) 0.18839(16) 1.0083(2) 0.0373(6) Uani 1 1 d . . . . .
H15 H 0.4366 0.1496 0.9494 0.045 Uiso 1 1 calc R U . . .
C16 C 0.3421(3) 0.24074(17) 1.0141(2) 0.0460(7) Uani 1 1 d . . . . .
H16 H 0.2731 0.2378 0.9587 0.055 Uiso 1 1 calc R U . . .
C17 C 0.3443(3) 0.29674(17) 1.0991(2) 0.0446(7) Uani 1 1 d . . . . .
H17 H 0.2770 0.3319 1.1033 0.054 Uiso 1 1 calc R U . . .
C18 C 0.4455(3) 0.30131(16) 1.1783(2) 0.0423(7) Uani 1 1 d . . . . .
H18 H 0.4480 0.3401 1.2371 0.051 Uiso 1 1 calc R U . . .
C19 C 0.5432(2) 0.25002(15) 1.17272(19) 0.0352(6) Uani 1 1 d . . . . .
H19 H 0.6127 0.2541 1.2275 0.042 Uiso 1 1 calc R U . . .
C20 C 0.6320(3) 0.04340(18) 1.3909(2) 0.0493(7) Uani 1 1 d . . . . .
H20A H 0.7121 0.0204 1.4213 0.059 Uiso 1 1 calc R U . . .
H20B H 0.5756 -0.0040 1.3729 0.059 Uiso 1 1 calc R U . . .
C21 C 0.5892(3) 0.09840(19) 1.4721(2) 0.0478(7) Uani 1 1 d . . . . .
H21A H 0.6453 0.1453 1.4893 0.072 Uiso 1 1 calc R U . . .
H21B H 0.5844 0.0665 1.5392 0.072 Uiso 1 1 calc R U . . .
H21C H 0.5092 0.1201 1.4419 0.072 Uiso 1 1 calc R U . . .
C22 C 0.8243(3) -0.0645(2) 1.1631(4) 0.0722(10) Uani 1 1 d . . . . .
H22A H 0.7537 -0.0962 1.1261 0.087 Uiso 1 1 calc R U . . .
H22B H 0.8638 -0.0982 1.2261 0.087 Uiso 1 1 calc R U . . .
C23 C 0.9100(4) -0.0499(3) 1.0849(3) 0.1077(19) Uani 1 1 d . . . . .
H23A H 0.8705 -0.0167 1.0226 0.162 Uiso 1 1 calc R U . . .
H23B H 0.9356 -0.1039 1.0585 0.162 Uiso 1 1 calc R U . . .
H23C H 0.9805 -0.0195 1.1223 0.162 Uiso 1 1 calc R U . . .
O1X O 0.9347(3) -0.0707(2) 0.4469(2) 0.1056(10) Uani 1 1 d D . . . .
H1X H 1.002(3) -0.100(3) 0.429(4) 0.158 Uiso 1 1 d D U . . .
H2X H 0.899(4) -0.040(3) 0.383(3) 0.158 Uiso 1 1 d D 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
P1 O1 1.4646(17) . ?
P1 O2 1.5529(17) . ?
P1 O3 1.5746(19) . ?
P1 C13 1.818(2) . ?
N1 C5 1.309(4) . ?
N1 C1 1.351(3) . ?
C1 C2 1.418(3) . ?
C1 C6 1.448(4) . ?
O2 C20 1.465(3) . ?
C2 C3 1.402(3) . ?
C2 C11 1.452(3) . ?
N2 C10 1.330(4) . ?
N2 C6 1.371(3) . ?
N3 C11 1.384(3) . ?
N3 C13 1.459(3) . ?
N3 H3 0.84(3) . ?
O3 C22 1.439(4) . ?
C3 C4 1.370(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.396(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.400(4) . ?
C7 C8 1.407(4) . ?
C7 C12 1.427(3) . ?
C8 C9 1.378(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.367(5) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.361(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.518(3) . ?
C13 H13 1.0000 . ?
C14 C15 1.379(3) . ?
C14 C19 1.393(3) . ?
C15 C16 1.390(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.374(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.379(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.381(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.469(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.486(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
O1X H1X 0.953(19) . ?
O1X H2X 0.960(19) . ?

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
O1 P1 O2 116.42(10) . . ?
O1 P1 O3 113.78(10) . . ?
O2 P1 O3 103.26(10) . . ?
O1 P1 C13 112.82(10) . . ?
O2 P1 C13 102.85(10) . . ?
O3 P1 C13 106.51(11) . . ?
C5 N1 C1 118.4(2) . . ?
N1 C1 C2 122.5(3) . . ?
N1 C1 C6 118.7(2) . . ?
C2 C1 C6 118.8(2) . . ?
C20 O2 P1 120.67(16) . . ?
C3 C2 C1 116.7(2) . . ?
C3 C2 C11 122.9(2) . . ?
C1 C2 C11 120.3(2) . . ?
C10 N2 C6 116.2(3) . . ?
C11 N3 C13 123.5(2) . . ?
C11 N3 H3 114.8(17) . . ?
C13 N3 H3 118.0(17) . . ?
C22 O3 P1 125.0(2) . . ?
C4 C3 C2 120.3(2) . . ?
C4 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C3 C4 C5 118.0(3) . . ?
C3 C4 H4 121.0 . . ?
C5 C4 H4 121.0 . . ?
N1 C5 C4 124.0(3) . . ?
N1 C5 H5 118.0 . . ?
C4 C5 H5 118.0 . . ?
N2 C6 C7 123.1(3) . . ?
N2 C6 C1 117.4(3) . . ?
C7 C6 C1 119.5(2) . . ?
C6 C7 C8 118.3(3) . . ?
C6 C7 C12 120.5(2) . . ?
C8 C7 C12 121.2(3) . . ?
C9 C8 C7 117.7(3) . . ?
C9 C8 H8 121.1 . . ?
C7 C8 H8 121.1 . . ?
C10 C9 C8 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
N2 C10 C9 124.5(3) . . ?
N2 C10 H10 117.8 . . ?
C9 C10 H10 117.8 . . ?
C12 C11 N3 124.1(2) . . ?
C12 C11 C2 119.5(2) . . ?
N3 C11 C2 116.3(2) . . ?
C11 C12 C7 121.4(2) . . ?
C11 C12 H12 119.3 . . ?
C7 C12 H12 119.3 . . ?
N3 C13 C14 116.9(2) . . ?
N3 C13 P1 102.52(16) . . ?
C14 C13 P1 113.14(15) . . ?
N3 C13 H13 108.0 . . ?
C14 C13 H13 108.0 . . ?
P1 C13 H13 108.0 . . ?
C15 C14 C19 118.6(2) . . ?
C15 C14 C13 121.9(2) . . ?
C19 C14 C13 119.5(2) . . ?
C14 C15 C16 120.4(2) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C17 C16 C15 120.7(3) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 119.2(3) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
C17 C18 C19 120.5(2) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C18 C19 C14 120.5(2) . . ?
C18 C19 H19 119.7 . . ?
C14 C19 H19 119.7 . . ?
O2 C20 C21 108.8(2) . . ?
O2 C20 H20A 109.9 . . ?
C21 C20 H20A 109.9 . . ?
O2 C20 H20B 109.9 . . ?
C21 C20 H20B 109.9 . . ?
H20A C20 H20B 108.3 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O3 C22 C23 109.9(3) . . ?
O3 C22 H22A 109.7 . . ?
C23 C22 H22A 109.7 . . ?
O3 C22 H22B 109.7 . . ?
C23 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
H1X O1X H2X 108(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
C5 N1 C1 C2 -0.2(4) . . . . ?
C5 N1 C1 C6 177.1(2) . . . . ?
O1 P1 O2 C20 52.3(2) . . . . ?
O3 P1 O2 C20 -73.1(2) . . . . ?
C13 P1 O2 C20 176.2(2) . . . . ?
N1 C1 C2 C3 2.2(3) . . . . ?
C6 C1 C2 C3 -175.2(2) . . . . ?
N1 C1 C2 C11 178.7(2) . . . . ?
C6 C1 C2 C11 1.3(3) . . . . ?
O1 P1 O3 C22 15.2(3) . . . . ?
O2 P1 O3 C22 142.4(3) . . . . ?
C13 P1 O3 C22 -109.7(3) . . . . ?
C1 C2 C3 C4 -2.5(3) . . . . ?
C11 C2 C3 C4 -178.9(2) . . . . ?
C2 C3 C4 C5 1.0(4) . . . . ?
C1 N1 C5 C4 -1.5(4) . . . . ?
C3 C4 C5 N1 1.1(4) . . . . ?
C10 N2 C6 C7 -0.6(4) . . . . ?
C10 N2 C6 C1 -178.8(2) . . . . ?
N1 C1 C6 N2 2.5(3) . . . . ?
C2 C1 C6 N2 179.9(2) . . . . ?
N1 C1 C6 C7 -175.8(2) . . . . ?
C2 C1 C6 C7 1.6(3) . . . . ?
N2 C6 C7 C8 0.7(4) . . . . ?
C1 C6 C7 C8 178.9(2) . . . . ?
N2 C6 C7 C12 179.0(2) . . . . ?
C1 C6 C7 C12 -2.8(4) . . . . ?
C6 C7 C8 C9 0.0(4) . . . . ?
C12 C7 C8 C9 -178.3(3) . . . . ?
C7 C8 C9 C10 -0.8(5) . . . . ?
C6 N2 C10 C9 -0.3(5) . . . . ?
C8 C9 C10 N2 1.0(5) . . . . ?
C13 N3 C11 C12 -8.1(4) . . . . ?
C13 N3 C11 C2 168.5(2) . . . . ?
C3 C2 C11 C12 173.1(2) . . . . ?
C1 C2 C11 C12 -3.2(3) . . . . ?
C3 C2 C11 N3 -3.7(3) . . . . ?
C1 C2 C11 N3 -179.9(2) . . . . ?
N3 C11 C12 C7 178.5(2) . . . . ?
C2 C11 C12 C7 2.0(4) . . . . ?
C6 C7 C12 C11 1.0(4) . . . . ?
C8 C7 C12 C11 179.2(2) . . . . ?
C11 N3 C13 C14 96.8(3) . . . . ?
C11 N3 C13 P1 -138.8(2) . . . . ?
O1 P1 C13 N3 -52.13(18) . . . . ?
O2 P1 C13 N3 -178.37(15) . . . . ?
O3 P1 C13 N3 73.39(17) . . . . ?
O1 P1 C13 C14 74.61(18) . . . . ?
O2 P1 C13 C14 -51.63(18) . . . . ?
O3 P1 C13 C14 -159.87(16) . . . . ?
N3 C13 C14 C15 17.4(3) . . . . ?
P1 C13 C14 C15 -101.3(2) . . . . ?
N3 C13 C14 C19 -164.1(2) . . . . ?
P1 C13 C14 C19 77.2(2) . . . . ?
C19 C14 C15 C16 -0.3(4) . . . . ?
C13 C14 C15 C16 178.2(2) . . . . ?
C14 C15 C16 C17 -0.5(4) . . . . ?
C15 C16 C17 C18 0.8(4) . . . . ?
C16 C17 C18 C19 -0.3(4) . . . . ?
C17 C18 C19 C14 -0.5(4) . . . . ?
C15 C14 C19 C18 0.8(4) . . . . ?
C13 C14 C19 C18 -177.7(2) . . . . ?
P1 O2 C20 C21 -164.8(2) . . . . ?
P1 O3 C22 C23 117.1(3) . . . . ?

_refine_diff_density_max         0.525
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.054



