Supplementary Material (ESI) for Dalton Transactions
This journal is © The Royal Society of Chemistry 2005

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Nicholas Long'
_publ_contact_author_address     
;
Department of Chemistry
Imperial College of Science
South Kensington
LONDON
SW7 2AY
UNITED KINGDOM
;

_publ_contact_author_email       N.LONG@IC.AC.UK

_publ_section_title              
;
Synthesis, Structure and Assessment of the Cytotoxic
Properties of 2,5-Dimethylazaferrocenyl Phosphonates
;
loop_
_publ_author_name
'Nicholas Long'
'Konrad Kowalski'
'David J. Mann'
'Natsuko Suwaki'
'Andrew J.P. White'
'Janusz Zakrzewski'

data_Compound_1
_database_code_depnum_ccdc_archive 'CCDC 270619'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H22 Fe N O8 P W'
_chemical_formula_weight         675.06

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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.9611(3)
_cell_length_b                   13.1345(7)
_cell_length_c                   14.2416(7)
_cell_angle_alpha                115.429(5)
_cell_angle_beta                 95.965(4)
_cell_angle_gamma                98.219(4)
_cell_volume                     1143.81(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      4.3288
_cell_measurement_theta_max      32.6592

_exptl_crystal_description       blocks
_exptl_crystal_colour            Orange
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.960
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             656
_exptl_absorpt_coefficient_mu    5.774
_exptl_absorpt_correction_type   'numeric analytical'
_exptl_absorpt_correction_T_min  0.36476
_exptl_absorpt_correction_T_max  0.56208
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OD Xcalibur 3'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 15.9863
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11560
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0173
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         4.34
_diffrn_reflns_theta_max         32.73
_reflns_number_total             7464
_reflns_number_gt                7245
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness 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 threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) 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
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0621P)^2^+3.0674P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7464
_refine_ls_number_parameters     291
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.1030
_refine_ls_wR_factor_gt          0.1020
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_restrained_S_all      1.142
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe Fe 0.55333(7) 0.39353(4) 0.64564(4) 0.01630(9) Uani 1 1 d . . .
W W 0.758769(18) 0.210074(11) 0.781759(10) 0.01999(5) Uani 1 1 d . . .
P P 0.45984(14) 0.66367(8) 0.73486(8) 0.02261(17) Uani 1 1 d . . .
O O 0.5796(6) 0.7051(3) 0.6746(3) 0.0382(7) Uani 1 1 d . . .
N1 N 0.7577(4) 0.3179(2) 0.6894(2) 0.0171(5) Uani 1 1 d . . .
C2 C 0.8313(5) 0.4372(3) 0.7318(3) 0.0205(6) Uani 1 1 d . . .
C3 C 0.8396(5) 0.4691(3) 0.6485(3) 0.0238(6) Uani 1 1 d . . .
H3A H 0.8848 0.5486 0.6565 0.029 Uiso 1 1 calc R . .
C4 C 0.7677(6) 0.3672(3) 0.5517(3) 0.0232(6) Uani 1 1 d . . .
H4A H 0.7544 0.3612 0.4788 0.028 Uiso 1 1 calc R . .
C5 C 0.7162(5) 0.2754(3) 0.5789(3) 0.0210(6) Uani 1 1 d . . .
C6 C 0.3803(5) 0.5126(3) 0.6819(3) 0.0195(6) Uani 1 1 d . . .
C7 C 0.3473(5) 0.4467(3) 0.7391(3) 0.0232(6) Uani 1 1 d . . .
H7A H 0.3677 0.4774 0.8178 0.028 Uiso 1 1 calc R . .
C8 C 0.2786(5) 0.3299(3) 0.6632(3) 0.0254(7) Uani 1 1 d . . .
H8A H 0.2454 0.2634 0.6795 0.030 Uiso 1 1 calc R . .
C9 C 0.2696(5) 0.3222(3) 0.5605(3) 0.0251(7) Uani 1 1 d . . .
H9A H 0.2284 0.2496 0.4925 0.030 Uiso 1 1 calc R . .
C10 C 0.3317(5) 0.4346(3) 0.5705(3) 0.0219(6) Uani 1 1 d . . .
H10A H 0.3399 0.4557 0.5112 0.026 Uiso 1 1 calc R . .
C11 C 0.7711(6) 0.1199(4) 0.8621(4) 0.0310(8) Uani 1 1 d . . .
O11 O 0.7816(7) 0.0688(4) 0.9100(4) 0.0565(12) Uani 1 1 d . . .
C12 C 1.0480(6) 0.2829(4) 0.8498(3) 0.0245(7) Uani 1 1 d . . .
O12 O 1.2088(5) 0.3187(3) 0.8932(3) 0.0370(7) Uani 1 1 d . . .
C13 C 0.6775(5) 0.3328(4) 0.9094(3) 0.0269(7) Uani 1 1 d . . .
O13 O 0.6352(6) 0.3972(4) 0.9850(3) 0.0445(9) Uani 1 1 d . . .
C14 C 0.4687(6) 0.1299(3) 0.7275(3) 0.0242(7) Uani 1 1 d . . .
O14 O 0.3078(5) 0.0818(3) 0.7044(3) 0.0395(8) Uani 1 1 d . . .
C15 C 0.8365(6) 0.0763(3) 0.6623(3) 0.0269(7) Uani 1 1 d . . .
O15 O 0.8755(6) -0.0053(3) 0.5992(3) 0.0420(8) Uani 1 1 d . . .
C16 C 0.9061(6) 0.5169(3) 0.8466(3) 0.0286(7) Uani 1 1 d . . .
H16A H 0.9600 0.5942 0.8553 0.043 Uiso 1 1 calc R . .
H16B H 1.0099 0.4885 0.8742 0.043 Uiso 1 1 calc R . .
H16C H 0.7973 0.5202 0.8857 0.043 Uiso 1 1 calc R . .
C17 C 0.6396(7) 0.1513(3) 0.5015(3) 0.0287(7) Uani 1 1 d . . .
H17A H 0.7495 0.1109 0.4896 0.043 Uiso 1 1 calc R . .
H17B H 0.5761 0.1460 0.4344 0.043 Uiso 1 1 calc R . .
H17C H 0.5431 0.1157 0.5298 0.043 Uiso 1 1 calc R . .
O18 O 0.5604(7) 0.7018(3) 0.8517(3) 0.0472(10) Uani 1 1 d . . .
C19 C 0.7283(7) 0.7965(4) 0.9085(4) 0.0389(10) Uani 1 1 d . . .
H19A H 0.7574 0.8376 0.8657 0.047 Uiso 1 1 calc R . .
H19B H 0.8459 0.7667 0.9215 0.047 Uiso 1 1 calc R . .
C20 C 0.6841(9) 0.8774(4) 1.0111(4) 0.0406(11) Uani 1 1 d . . .
H20A H 0.7987 0.9410 1.0499 0.061 Uiso 1 1 calc R . .
H20B H 0.6548 0.8363 1.0531 0.061 Uiso 1 1 calc R . .
H20C H 0.5696 0.9082 0.9979 0.061 Uiso 1 1 calc R . .
O21 O 0.2541(6) 0.7016(3) 0.7410(4) 0.0498(11) Uani 1 1 d . . .
C22 C 0.2439(8) 0.8218(4) 0.7848(5) 0.0396(11) Uani 1 1 d . . .
H22A H 0.3688 0.8681 0.7841 0.048 Uiso 1 1 calc R . .
H22B H 0.2238 0.8501 0.8588 0.048 Uiso 1 1 calc R . .
C23 C 0.0756(7) 0.8337(5) 0.7192(4) 0.0377(9) Uani 1 1 d . . .
H23A H 0.0674 0.9151 0.7471 0.056 Uiso 1 1 calc R . .
H23B H -0.0476 0.7889 0.7214 0.056 Uiso 1 1 calc R . .
H23C H 0.0962 0.8051 0.6459 0.056 Uiso 1 1 calc R . .

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
Fe 0.01551(19) 0.01589(19) 0.01654(19) 0.00648(16) 0.00194(15) 0.00392(15)
W 0.01793(8) 0.02087(8) 0.02226(8) 0.01100(6) 0.00242(5) 0.00409(5)
P 0.0240(4) 0.0183(4) 0.0226(4) 0.0068(3) 0.0033(3) 0.0044(3)
O 0.049(2) 0.0310(16) 0.0328(16) 0.0148(13) 0.0103(14) -0.0017(14)
N1 0.0147(11) 0.0160(11) 0.0159(11) 0.0036(9) 0.0007(9) 0.0021(9)
C2 0.0162(13) 0.0181(14) 0.0276(15) 0.0107(12) 0.0029(11) 0.0038(11)
C3 0.0196(14) 0.0222(15) 0.0326(17) 0.0157(14) 0.0033(13) 0.0037(12)
C4 0.0261(15) 0.0309(17) 0.0222(15) 0.0176(13) 0.0115(12) 0.0115(13)
C5 0.0194(13) 0.0260(15) 0.0214(14) 0.0127(12) 0.0047(11) 0.0085(12)
C6 0.0193(13) 0.0174(13) 0.0201(13) 0.0063(11) 0.0038(11) 0.0055(11)
C7 0.0203(14) 0.0255(16) 0.0248(15) 0.0114(13) 0.0061(12) 0.0066(12)
C8 0.0200(14) 0.0234(16) 0.0362(19) 0.0154(14) 0.0080(13) 0.0062(12)
C9 0.0181(14) 0.0202(15) 0.0296(17) 0.0060(13) -0.0020(12) 0.0034(12)
C10 0.0197(14) 0.0231(15) 0.0192(14) 0.0067(12) -0.0028(11) 0.0069(12)
C11 0.0259(17) 0.037(2) 0.041(2) 0.0269(19) 0.0068(16) 0.0081(15)
O11 0.059(3) 0.066(3) 0.080(3) 0.061(3) 0.020(2) 0.025(2)
C12 0.0215(15) 0.0280(17) 0.0270(16) 0.0144(14) 0.0054(13) 0.0078(13)
O12 0.0205(13) 0.0441(19) 0.0416(18) 0.0182(15) -0.0031(12) 0.0027(12)
C13 0.0167(14) 0.0345(19) 0.0254(16) 0.0113(15) 0.0017(12) 0.0018(13)
O13 0.0325(16) 0.052(2) 0.0289(15) 0.0008(15) 0.0066(13) 0.0059(15)
C14 0.0222(15) 0.0170(14) 0.0291(17) 0.0066(13) 0.0043(13) 0.0034(12)
O14 0.0229(13) 0.0311(16) 0.050(2) 0.0075(14) 0.0047(13) -0.0010(12)
C15 0.0233(16) 0.0234(16) 0.0328(18) 0.0120(14) 0.0013(14) 0.0059(13)
O15 0.0380(18) 0.0331(17) 0.0439(19) 0.0054(14) 0.0027(15) 0.0172(14)
C16 0.0278(17) 0.0188(15) 0.0267(17) 0.0030(13) -0.0081(14) 0.0008(13)
C17 0.037(2) 0.0215(16) 0.0220(15) 0.0053(13) 0.0024(14) 0.0074(14)
O18 0.067(3) 0.0332(17) 0.0238(14) 0.0098(13) -0.0100(15) -0.0181(17)
C19 0.034(2) 0.032(2) 0.032(2) -0.0001(17) -0.0008(17) 0.0062(17)
C20 0.053(3) 0.029(2) 0.0274(19) 0.0023(16) 0.0004(19) 0.0095(19)
O21 0.0332(17) 0.0217(15) 0.089(3) 0.0167(17) 0.0144(18) 0.0136(13)
C22 0.039(2) 0.0215(18) 0.049(3) 0.0067(17) 0.000(2) 0.0122(16)
C23 0.035(2) 0.041(2) 0.043(2) 0.022(2) 0.0114(19) 0.0135(19)

_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
Fe C5 2.014(3) . ?
Fe C6 2.035(3) . ?
Fe N1 2.037(3) . ?
Fe C2 2.040(3) . ?
Fe C7 2.050(4) . ?
Fe C10 2.051(3) . ?
Fe C8 2.059(4) . ?
Fe C9 2.061(4) . ?
Fe C4 2.074(3) . ?
Fe C3 2.083(4) . ?
W C11 1.973(4) . ?
W C14 2.038(4) . ?
W C12 2.039(4) . ?
W C15 2.042(4) . ?
W C13 2.045(4) . ?
W N1 2.310(3) . ?
P O 1.466(4) . ?
P O18 1.566(4) . ?
P O21 1.581(4) . ?
P C6 1.768(4) . ?
N1 C2 1.405(4) . ?
N1 C5 1.406(4) . ?
C2 C3 1.421(5) . ?
C2 C16 1.496(5) . ?
C3 C4 1.422(6) . ?
C4 C5 1.429(5) . ?
C5 C17 1.497(5) . ?
C6 C7 1.434(5) . ?
C6 C10 1.440(5) . ?
C7 C8 1.417(5) . ?
C8 C9 1.415(6) . ?
C9 C10 1.418(5) . ?
C11 O11 1.148(6) . ?
C12 O12 1.145(5) . ?
C13 O13 1.147(5) . ?
C14 O14 1.142(5) . ?
C15 O15 1.156(5) . ?
O18 C19 1.447(6) . ?
C19 C20 1.487(7) . ?
O21 C22 1.444(5) . ?
C22 C23 1.490(7) . ?

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
C5 Fe C6 167.59(14) . . ?
C5 Fe N1 40.61(12) . . ?
C6 Fe N1 151.17(13) . . ?
C5 Fe C2 67.51(15) . . ?
C6 Fe C2 119.37(14) . . ?
N1 Fe C2 40.32(12) . . ?
C5 Fe C7 148.81(15) . . ?
C6 Fe C7 41.10(14) . . ?
N1 Fe C7 118.18(14) . . ?
C2 Fe C7 112.45(15) . . ?
C5 Fe C10 127.55(14) . . ?
C6 Fe C10 41.29(14) . . ?
N1 Fe C10 166.86(13) . . ?
C2 Fe C10 149.90(15) . . ?
C7 Fe C10 69.16(15) . . ?
C5 Fe C8 115.58(15) . . ?
C6 Fe C8 68.12(15) . . ?
N1 Fe C8 109.80(14) . . ?
C2 Fe C8 133.91(16) . . ?
C7 Fe C8 40.36(15) . . ?
C10 Fe C8 67.99(16) . . ?
C5 Fe C9 106.25(15) . . ?
C6 Fe C9 68.39(15) . . ?
N1 Fe C9 129.75(14) . . ?
C2 Fe C9 169.75(15) . . ?
C7 Fe C9 68.31(16) . . ?
C10 Fe C9 40.34(15) . . ?
C8 Fe C9 40.18(17) . . ?
C5 Fe C4 40.88(14) . . ?
C6 Fe C4 129.67(14) . . ?
N1 Fe C4 68.68(13) . . ?
C2 Fe C4 67.63(15) . . ?
C7 Fe C4 170.22(15) . . ?
C10 Fe C4 105.62(15) . . ?
C8 Fe C4 146.55(17) . . ?
C9 Fe C4 113.49(16) . . ?
C5 Fe C3 67.80(15) . . ?
C6 Fe C3 110.02(14) . . ?
N1 Fe C3 68.25(13) . . ?
C2 Fe C3 40.30(14) . . ?
C7 Fe C3 133.79(16) . . ?
C10 Fe C3 115.56(15) . . ?
C8 Fe C3 172.82(17) . . ?
C9 Fe C3 146.39(17) . . ?
C4 Fe C3 40.01(16) . . ?
C11 W C14 86.70(18) . . ?
C11 W C12 86.39(17) . . ?
C14 W C12 172.87(16) . . ?
C11 W C15 86.55(19) . . ?
C14 W C15 90.28(16) . . ?
C12 W C15 91.05(16) . . ?
C11 W C13 87.28(19) . . ?
C14 W C13 88.44(15) . . ?
C12 W C13 89.50(15) . . ?
C15 W C13 173.76(16) . . ?
C11 W N1 177.75(14) . . ?
C14 W N1 95.52(14) . . ?
C12 W N1 91.40(13) . . ?
C15 W N1 93.06(14) . . ?
C13 W N1 93.14(14) . . ?
O P O18 115.1(2) . . ?
O P O21 113.4(3) . . ?
O18 P O21 106.1(3) . . ?
O P C6 116.44(19) . . ?
O18 P C6 103.94(19) . . ?
O21 P C6 100.27(18) . . ?
C2 N1 C5 106.6(3) . . ?
C2 N1 Fe 69.98(19) . . ?
C5 N1 Fe 68.84(18) . . ?
C2 N1 W 126.0(2) . . ?
C5 N1 W 126.6(2) . . ?
Fe N1 W 134.04(14) . . ?
N1 C2 C3 109.8(3) . . ?
N1 C2 C16 125.1(3) . . ?
C3 C2 C16 124.9(3) . . ?
N1 C2 Fe 69.71(18) . . ?
C3 C2 Fe 71.5(2) . . ?
C16 C2 Fe 129.3(3) . . ?
C2 C3 C4 107.3(3) . . ?
C2 C3 Fe 68.2(2) . . ?
C4 C3 Fe 69.7(2) . . ?
C3 C4 C5 106.6(3) . . ?
C3 C4 Fe 70.3(2) . . ?
C5 C4 Fe 67.30(19) . . ?
N1 C5 C4 109.8(3) . . ?
N1 C5 C17 124.9(3) . . ?
C4 C5 C17 125.2(3) . . ?
N1 C5 Fe 70.55(19) . . ?
C4 C5 Fe 71.8(2) . . ?
C17 C5 Fe 126.6(3) . . ?
C7 C6 C10 108.1(3) . . ?
C7 C6 P 127.4(3) . . ?
C10 C6 P 124.4(3) . . ?
C7 C6 Fe 70.0(2) . . ?
C10 C6 Fe 69.95(19) . . ?
P C6 Fe 126.94(19) . . ?
C8 C7 C6 107.0(3) . . ?
C8 C7 Fe 70.2(2) . . ?
C6 C7 Fe 68.89(19) . . ?
C9 C8 C7 109.1(3) . . ?
C9 C8 Fe 70.0(2) . . ?
C7 C8 Fe 69.5(2) . . ?
C8 C9 C10 108.4(3) . . ?
C8 C9 Fe 69.8(2) . . ?
C10 C9 Fe 69.4(2) . . ?
C9 C10 C6 107.3(3) . . ?
C9 C10 Fe 70.2(2) . . ?
C6 C10 Fe 68.76(19) . . ?
O11 C11 W 178.7(5) . . ?
O12 C12 W 174.0(4) . . ?
O13 C13 W 175.0(4) . . ?
O14 C14 W 173.6(4) . . ?
O15 C15 W 173.8(4) . . ?
C19 O18 P 123.7(3) . . ?
O18 C19 C20 109.6(5) . . ?
C22 O21 P 120.9(3) . . ?
O21 C22 C23 108.3(4) . . ?

_diffrn_measured_fraction_theta_max 0.884
_diffrn_reflns_theta_full        32.73
_diffrn_measured_fraction_theta_full 0.884
_refine_diff_density_max         2.466
_refine_diff_density_min         -1.259
_refine_diff_density_rms         0.199

#===END