# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/


data_global
#=================================================================
# SUBMISSION DETAILS
_publ_contact_author
;
	Dr Chris Russell
	School of Chemistry
	University of Bristol
	Cantock's Close
	BS8 1TS Bristol
	UK
;
_publ_contact_author_phone        '0117 9287599'
_publ_contact_author_fax          '0117 9290509'
_publ_contact_author_email        Chris.Russell@bristol.ac.uk

_publ_contact_letter
;
This CIF file contains details of the crystal structure in the paper
'Synthesis and structure of a tris imido phosphonate anion; the missing
link in imido analogues of phosphorus oxoanions' by Lisa T. Burke, Eva
Hevia-Freire, Rebecca Holland, John C. Jeffery, Angela P. Leedham,
Christopher A. Russell, Alexander Steiner and Anette Zagorski.
;
#=================================================================

data_cad

_audit_creation_method            SHELXL
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C21 H22 Li2 N3 O3 P'
_chemical_formula_weight          409.27
_chemical_melting_point           ?
_chemical_compound_source         ?

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'
'Li'  'Li'  -0.0003   0.0001
'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'

_symmetry_cell_setting            orthorhombic
_symmetry_space_group_name_H-M    Pbca

loop_
_symmetry_equiv_pos_as_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                    16.026(5)
_cell_length_b                    11.410(2)
_cell_length_c                    22.560(5)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      4125.4(17)
_cell_formula_units_Z             8
_cell_measurement_temperature     173(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           0.20
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.20
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.318
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              1712
_exptl_absorpt_coefficient_mu     0.160
_exptl_absorpt_correction_type
'Empirical, pseudo-azimuthal scan (SADABS)'
_exptl_absorpt_correction_T_min   0.97
_exptl_absorpt_correction_T_max   0.97

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       173(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        'Siemens SMART Area Detector'
_diffrn_measurement_method
'\w rotation with narrow frames (0.3 degrees)'
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             24588
_diffrn_reflns_av_R_equivalents   0.0508
_diffrn_reflns_av_sigmaI/netI     0.0380
_diffrn_reflns_limit_h_min        -20
_diffrn_reflns_limit_h_max        19
_diffrn_reflns_limit_k_min        -14
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -25
_diffrn_reflns_limit_l_max        29
_diffrn_reflns_theta_min          1.81
_diffrn_reflns_theta_max          27.46
_reflns_number_total              4710
_reflns_number_observed           3407
_reflns_observed_criterion        >2sigma(I)

_computing_data_collection        SMART
_computing_cell_refinement        SMART
_computing_data_reduction         SAINT
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     XP
_computing_publication_material   XCIF

_refine_special_details
;
Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^
or flagged by the user for potential systematic errors.  Weighted R-factors
wR and all goodnesses 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 observed criterion
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0499P)^2^+1.0795P] 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     ?
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          4710
_refine_ls_number_parameters      277
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0671
_refine_ls_R_factor_obs           0.0402
_refine_ls_wR_factor_all          0.1042
_refine_ls_wR_factor_obs          0.0920
_refine_ls_goodness_of_fit_all    1.015
_refine_ls_goodness_of_fit_obs    1.065
_refine_ls_restrained_S_all       1.015
_refine_ls_restrained_S_obs       1.065
_refine_ls_shift/esd_max          -0.001
_refine_ls_shift/esd_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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
P P 0.02525(3) 0.32619(4) 0.46550(2) 0.02024(11) Uani 1 d . .
Li1 Li 0.1346(2) 0.5557(3) 0.49407(14) 0.0321(7) Uani 1 d . .
Li2 Li 0.0309(2) 0.4749(3) 0.58317(13) 0.0313(7) Uani 1 d . .
N10 N -0.06733(9) 0.35957(12) 0.44081(6) 0.0244(3) Uani 1 d . .
C11 C -0.12244(11) 0.28946(15) 0.40799(7) 0.0239(4) Uani 1 d . .
C12 C -0.10037(12) 0.1963(2) 0.37080(8) 0.0329(4) Uani 1 d . .
H12A H -0.04326(12) 0.1753(2) 0.36706(8) 0.040 Uiso 1 calc R .
C13 C -0.16026(13) 0.1338(2) 0.33914(9) 0.0439(5) Uani 1 d . .
H13A H -0.14362(13) 0.0711(2) 0.31406(9) 0.053 Uiso 1 calc R .
C14 C -0.24361(13) 0.1624(2) 0.34402(9) 0.0482(6) Uani 1 d . .
H14A H -0.28422(13) 0.1196(2) 0.32226(9) 0.058 Uiso 1 calc R .
C15 C -0.26810(12) 0.2539(2) 0.38087(9) 0.0396(5) Uani 1 d . .
H15A H -0.32545(12) 0.2737(2) 0.38452(9) 0.048 Uiso 1 calc R .
C16 C -0.20848(11) 0.3157(2) 0.41209(8) 0.0274(4) Uani 1 d . .
O17 O -0.22666(8) 0.40705(12) 0.45045(6) 0.0341(3) Uani 1 d . .
C18 C -0.31296(12) 0.4349(2) 0.45966(10) 0.0454(5) Uani 1 d . .
H18A H -0.31744(13) 0.5011(9) 0.4872(5) 0.068 Uiso 1 calc R .
H18B H -0.3417(2) 0.3667(5) 0.4764(6) 0.068 Uiso 1 calc R .
H18C H -0.3387(3) 0.4560(13) 0.42172(15) 0.068 Uiso 1 calc R .
N20 N 0.09070(9) 0.42571(12) 0.44413(6) 0.0235(3) Uani 1 d . .
C21 C 0.12467(10) 0.42869(15) 0.38683(7) 0.0227(4) Uani 1 d . .
C22 C 0.11178(11) 0.3478(2) 0.34110(8) 0.0275(4) Uani 1 d . .
H22A H 0.07265(11) 0.2862(2) 0.34661(8) 0.033 Uiso 1 calc R .
C23 C 0.15521(12) 0.3556(2) 0.28752(8) 0.0337(4) Uani 1 d . .
H23A H 0.14658(12) 0.2981(2) 0.25770(8) 0.040 Uiso 1 calc R .
C24 C 0.21036(12) 0.4459(2) 0.27759(8) 0.0356(5) Uani 1 d . .
H24A H 0.24094(12) 0.4494(2) 0.24156(8) 0.043 Uiso 1 calc R .
C25 C 0.22120(11) 0.5324(2) 0.32063(8) 0.0330(4) Uani 1 d . .
H25A H 0.25733(11) 0.5968(2) 0.31336(8) 0.040 Uiso 1 calc R .
C26 C 0.17900(10) 0.5237(2) 0.37398(8) 0.0257(4) Uani 1 d . .
O27 O 0.18628(8) 0.60347(11) 0.41992(6) 0.0316(3) Uani 1 d . .
C28 C 0.23434(13) 0.7078(2) 0.40978(10) 0.0397(5) Uani 1 d . .
H28A H 0.2316(7) 0.7582(6) 0.4449(2) 0.060 Uiso 1 calc R .
H28B H 0.2116(5) 0.7500(6) 0.3755(4) 0.060 Uiso 1 calc R .
H28C H 0.2925(2) 0.6865(2) 0.4020(6) 0.060 Uiso 1 calc R .
N30 N 0.03069(8) 0.32823(12) 0.53691(6) 0.0229(3) Uani 1 d . .
C31 C -0.00489(10) 0.24154(15) 0.57229(7) 0.0226(4) Uani 1 d . .
C32 C -0.03707(11) 0.1335(2) 0.55331(8) 0.0283(4) Uani 1 d . .
H32A H -0.03734(11) 0.1156(2) 0.51218(8) 0.034 Uiso 1 calc R .
C33 C -0.06858(13) 0.0518(2) 0.59329(9) 0.0360(5) Uani 1 d . .
H33A H -0.09010(13) -0.0205(2) 0.57906(9) 0.043 Uiso 1 calc R .
C34 C -0.06896(13) 0.0746(2) 0.65333(9) 0.0392(5) Uani 1 d . .
H34A H -0.08948(13) 0.0177(2) 0.68039(9) 0.047 Uiso 1 calc R .
C35 C -0.03905(12) 0.1816(2) 0.67397(8) 0.0339(4) Uani 1 d . .
H35A H -0.03989(12) 0.1987(2) 0.71518(8) 0.041 Uiso 1 calc R .
C36 C -0.00813(10) 0.2628(2) 0.63419(8) 0.0250(4) Uani 1 d . .
O37 O 0.02191(8) 0.37288(11) 0.65084(5) 0.0286(3) Uani 1 d . .
C38 C 0.01155(14) 0.4086(2) 0.71125(8) 0.0400(5) Uani 1 d . .
H38A H 0.0299(8) 0.4900(4) 0.71574(15) 0.060 Uiso 1 calc R .
H38B H 0.0451(7) 0.3579(8) 0.73702(10) 0.060 Uiso 1 calc R .
H38C H -0.0474(2) 0.4022(11) 0.7223(2) 0.060 Uiso 1 calc R .
H H 0.0480(11) 0.2203(16) 0.4437(8) 0.030 Uiso 1 d . .

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
P 0.0195(2) 0.0192(2) 0.0220(2) -0.0017(2) 0.0020(2) -0.0012(2)
Li1 0.029(2) 0.033(2) 0.034(2) -0.0073(13) 0.0036(13) -0.0073(13)
Li2 0.041(2) 0.027(2) 0.026(2) -0.0007(13) -0.0003(13) -0.0042(14)
N10 0.0202(7) 0.0228(7) 0.0303(8) -0.0041(6) -0.0018(6) -0.0023(6)
C11 0.0240(9) 0.0260(9) 0.0218(8) 0.0002(7) -0.0004(7) -0.0049(7)
C12 0.0266(10) 0.0395(11) 0.0327(10) -0.0121(8) 0.0017(8) -0.0045(8)
C13 0.0390(12) 0.0507(13) 0.0421(12) -0.0233(10) -0.0005(9) -0.0089(10)
C14 0.0354(12) 0.066(2) 0.0438(12) -0.0228(11) -0.0093(9) -0.0123(11)
C15 0.0250(10) 0.0538(13) 0.0401(11) -0.0098(10) -0.0051(8) -0.0039(9)
C16 0.0258(9) 0.0320(10) 0.0244(9) -0.0029(7) -0.0007(7) -0.0019(7)
O17 0.0229(7) 0.0395(8) 0.0400(8) -0.0111(6) -0.0006(5) 0.0029(6)
C18 0.0256(10) 0.0559(14) 0.0546(14) -0.0118(11) 0.0008(9) 0.0094(9)
N20 0.0221(7) 0.0239(7) 0.0246(7) -0.0012(6) 0.0039(6) -0.0031(6)
C21 0.0174(8) 0.0261(9) 0.0247(9) 0.0045(7) 0.0009(6) 0.0038(7)
C22 0.0272(9) 0.0295(10) 0.0258(9) 0.0024(7) -0.0005(7) 0.0013(7)
C23 0.0368(11) 0.0402(11) 0.0241(9) 0.0027(8) -0.0007(8) 0.0064(9)
C24 0.0324(11) 0.0505(12) 0.0239(10) 0.0116(9) 0.0050(8) 0.0073(9)
C25 0.0248(9) 0.0405(11) 0.0336(10) 0.0153(9) 0.0018(8) -0.0005(8)
C26 0.0216(9) 0.0282(9) 0.0273(9) 0.0056(7) -0.0013(7) 0.0018(7)
O27 0.0308(7) 0.0282(7) 0.0359(7) 0.0023(6) 0.0026(5) -0.0104(5)
C28 0.0344(11) 0.0325(11) 0.0521(13) 0.0109(9) -0.0023(9) -0.0131(8)
N30 0.0243(7) 0.0220(7) 0.0226(7) 0.0002(6) 0.0016(6) -0.0030(6)
C31 0.0193(8) 0.0231(9) 0.0255(8) 0.0014(7) -0.0005(6) 0.0023(7)
C32 0.0310(10) 0.0266(9) 0.0272(9) 0.0009(7) 0.0001(7) -0.0032(7)
C33 0.0397(12) 0.0267(10) 0.0418(12) 0.0058(8) -0.0028(9) -0.0084(8)
C34 0.0424(12) 0.0381(11) 0.0372(11) 0.0159(9) -0.0040(9) -0.0087(9)
C35 0.0348(10) 0.0415(11) 0.0253(9) 0.0079(8) -0.0021(8) -0.0015(9)
C36 0.0217(8) 0.0262(9) 0.0270(9) 0.0010(7) -0.0033(7) 0.0022(7)
O37 0.0359(7) 0.0279(6) 0.0220(6) -0.0028(5) -0.0017(5) -0.0004(5)
C38 0.0555(14) 0.0417(11) 0.0226(10) -0.0054(8) -0.0062(9) 0.0101(10)

_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
P N30 1.6135(15) . ?
P N20 1.6194(14) . ?
P N10 1.6299(15) . ?
P Li2 2.677(3) 5_566 ?
P Li1 3.034(3) 5_566 ?
Li1 O27 1.945(3) . ?
Li1 O17 1.981(3) 5_566 ?
Li1 N20 1.991(3) . ?
Li1 N10 2.063(3) 5_566 ?
Li1 Li2 2.767(4) . ?
Li1 P 3.034(3) 5_566 ?
Li1 Li2 3.191(5) 5_566 ?
Li2 O37 1.925(3) . ?
Li2 N30 1.972(3) . ?
Li2 N10 2.050(3) 5_566 ?
Li2 N20 2.337(4) 5_566 ?
Li2 P 2.677(3) 5_566 ?
Li2 C31 2.734(3) . ?
Li2 C36 2.752(4) . ?
Li2 Li1 3.191(5) 5_566 ?
N10 C11 1.403(2) . ?
N10 Li2 2.050(3) 5_566 ?
N10 Li1 2.063(3) 5_566 ?
C11 C12 1.399(2) . ?
C11 C16 1.414(2) . ?
C12 C13 1.393(3) . ?
C13 C14 1.379(3) . ?
C14 C15 1.391(3) . ?
C15 C16 1.381(2) . ?
C16 O17 1.386(2) . ?
C18 O17 1.434(2) . ?
N20 C21 1.403(2) . ?
N20 Li2 2.337(4) 5_566 ?
C21 C22 1.400(2) . ?
C21 C26 1.420(2) . ?
C22 C23 1.398(2) . ?
C23 C24 1.376(3) . ?
C24 C25 1.395(3) . ?
C25 C26 1.384(2) . ?
C26 O27 1.384(2) . ?
O27 C28 1.437(2) . ?
N30 C31 1.393(2) . ?
C31 C32 1.404(2) . ?
C31 C36 1.418(2) . ?
C32 C33 1.392(2) . ?
C33 C34 1.379(3) . ?
C34 C35 1.391(3) . ?
C35 C36 1.382(2) . ?
C36 O37 1.397(2) . ?
O37 C38 1.432(2) . ?
O17 Li1 1.981(3) 5_566 ?

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
N30 P N20 104.60(7) . . ?
N30 P N10 112.77(7) . . ?
N20 P N10 108.91(8) . . ?
N30 P Li2 114.54(8) . 5_566 ?
N20 P Li2 60.06(9) . 5_566 ?
N10 P Li2 49.91(9) . 5_566 ?
N30 P Li1 74.87(8) . 5_566 ?
N20 P Li1 108.95(8) . 5_566 ?
N10 P Li1 39.70(8) . 5_566 ?
Li2 P Li1 57.53(9) 5_566 5_566 ?
O27 Li1 O17 99.54(15) . 5_566 ?
O27 Li1 N20 82.68(13) . . ?
O17 Li1 N20 141.3(2) 5_566 . ?
O27 Li1 N10 134.7(2) . 5_566 ?
O17 Li1 N10 80.71(12) 5_566 5_566 ?
N20 Li1 N10 124.6(2) . 5_566 ?
O27 Li1 Li2 167.0(2) . . ?
O17 Li1 Li2 93.44(14) 5_566 . ?
N20 Li1 Li2 87.17(13) . . ?
N10 Li1 Li2 47.54(10) 5_566 . ?
O27 Li1 P 119.59(15) . 5_566 ?
O17 Li1 P 110.09(13) 5_566 5_566 ?
N20 Li1 P 101.72(13) . 5_566 ?
N10 Li1 P 30.32(6) 5_566 5_566 ?
Li2 Li1 P 54.74(9) . 5_566 ?
O27 Li1 Li2 85.13(13) . 5_566 ?
O17 Li1 Li2 170.8(2) 5_566 5_566 ?
N20 Li1 Li2 46.87(10) . 5_566 ?
N10 Li1 Li2 90.35(13) 5_566 5_566 ?
Li2 Li1 Li2 82.02(12) . 5_566 ?
P Li1 Li2 60.76(8) 5_566 5_566 ?
O37 Li2 N30 84.65(13) . . ?
O37 Li2 N10 142.0(2) . 5_566 ?
N30 Li2 N10 130.0(2) . 5_566 ?
O37 Li2 N20 116.1(2) . 5_566 ?
N30 Li2 N20 105.74(14) . 5_566 ?
N10 Li2 N20 73.78(11) 5_566 5_566 ?
O37 Li2 P 144.4(2) . 5_566 ?
N30 Li2 P 120.13(14) . 5_566 ?
N10 Li2 P 37.46(7) 5_566 5_566 ?
N20 Li2 P 36.90(6) 5_566 5_566 ?
O37 Li2 C31 57.79(9) . . ?
N30 Li2 C31 29.09(7) . . ?
N10 Li2 C31 158.9(2) 5_566 . ?
N20 Li2 C31 105.93(13) 5_566 . ?
P Li2 C31 135.93(13) 5_566 . ?
O37 Li2 C36 28.32(7) . . ?
N30 Li2 C36 58.33(9) . . ?
N10 Li2 C36 170.2(2) 5_566 . ?
N20 Li2 C36 110.36(13) 5_566 . ?
P Li2 C36 147.25(14) 5_566 . ?
C31 Li2 C36 29.96(6) . . ?
O37 Li2 Li1 145.3(2) . . ?
N30 Li2 Li1 84.21(13) . . ?
N10 Li2 Li1 47.92(10) 5_566 . ?
N20 Li2 Li1 98.48(13) 5_566 . ?
P Li2 Li1 67.73(10) 5_566 . ?
C31 Li2 Li1 112.66(13) . . ?
C36 Li2 Li1 137.19(14) . . ?
O37 Li2 Li1 107.77(14) . 5_566 ?
N30 Li2 Li1 67.49(11) . 5_566 ?
N10 Li2 Li1 101.15(13) 5_566 5_566 ?
N20 Li2 Li1 38.44(8) 5_566 5_566 ?
P Li2 Li1 65.78(9) 5_566 5_566 ?
C31 Li2 Li1 70.77(10) . 5_566 ?
C36 Li2 Li1 86.78(11) . 5_566 ?
Li1 Li2 Li1 97.97(12) . 5_566 ?
C11 N10 P 128.33(12) . . ?
C11 N10 Li2 124.45(14) . 5_566 ?
P N10 Li2 92.64(11) . 5_566 ?
C11 N10 Li1 108.32(14) . 5_566 ?
P N10 Li1 109.98(12) . 5_566 ?
Li2 N10 Li1 84.54(13) 5_566 5_566 ?
C12 C11 N10 126.2(2) . . ?
C12 C11 C16 116.5(2) . . ?
N10 C11 C16 117.29(15) . . ?
C13 C12 C11 121.5(2) . . ?
C14 C13 C12 120.3(2) . . ?
C13 C14 C15 119.9(2) . . ?
C16 C15 C14 119.5(2) . . ?
C15 C16 O17 123.9(2) . . ?
C15 C16 C11 122.2(2) . . ?
O17 C16 C11 113.90(15) . . ?
C21 N20 P 122.86(12) . . ?
C21 N20 Li1 111.49(14) . . ?
P N20 Li1 125.64(12) . . ?
C21 N20 Li2 93.95(12) . 5_566 ?
P N20 Li2 83.05(10) . 5_566 ?
Li1 N20 Li2 94.68(13) . 5_566 ?
C22 C21 N20 127.3(2) . . ?
C22 C21 C26 116.3(2) . . ?
N20 C21 C26 116.37(15) . . ?
C23 C22 C21 121.5(2) . . ?
C24 C23 C22 120.5(2) . . ?
C23 C24 C25 119.8(2) . . ?
C26 C25 C24 119.6(2) . . ?
C25 C26 O27 124.3(2) . . ?
C25 C26 C21 122.1(2) . . ?
O27 C26 C21 113.63(14) . . ?
C26 O27 C28 118.10(14) . . ?
C26 O27 Li1 115.08(13) . . ?
C28 O27 Li1 126.71(15) . . ?
C31 N30 P 122.67(12) . . ?
C31 N30 Li2 107.44(14) . . ?
P N30 Li2 122.74(12) . . ?
N30 C31 C32 126.8(2) . . ?
N30 C31 C36 117.26(15) . . ?
C32 C31 C36 115.9(2) . . ?
N30 C31 Li2 43.48(10) . . ?
C32 C31 Li2 163.70(14) . . ?
C36 C31 Li2 75.71(12) . . ?
C33 C32 C31 121.6(2) . . ?
C34 C33 C32 120.8(2) . . ?
C33 C34 C35 119.5(2) . . ?
C36 C35 C34 119.6(2) . . ?
C35 C36 O37 123.5(2) . . ?
C35 C36 C31 122.6(2) . . ?
O37 C36 C31 113.93(14) . . ?
C35 C36 Li2 160.52(15) . . ?
O37 C36 Li2 40.82(9) . . ?
C31 C36 Li2 74.33(11) . . ?
C36 O37 C38 118.14(14) . . ?
C36 O37 Li2 110.86(13) . . ?
C38 O37 Li2 126.27(15) . . ?
C16 O17 C18 117.39(15) . . ?
C16 O17 Li1 113.54(14) . 5_566 ?
C18 O17 Li1 125.39(15) . 5_566 ?

_refine_diff_density_max    0.217
_refine_diff_density_min   -0.351
_refine_diff_density_rms    0.049