#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/76/1517636.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1517636
loop_
_publ_author_name
'Tiffany M. Smith'
'Jose Vargas'
'Diona Symester'
'Michael Tichenor'
'Charles J. O-Connor'
'Jon Zubieta'
_publ_section_title
;
 Metal-organophosphonate chemistry: Hydrothermal syntheses and structures
 of copper(II)-xylyldiphosphonates with organonitrogen coligands
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              63
_journal_page_last               77
_journal_volume                  403
_journal_year                    2013
_chemical_formula_moiety         'C40 H40 Cu2 N4 O14 P4, 6(H2 O)'
_chemical_formula_sum            'C40 H52 Cu2 N4 O20 P4'
_chemical_formula_weight         1159.82
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                99.645(9)
_cell_angle_beta                 93.331(8)
_cell_angle_gamma                98.882(8)
_cell_formula_units_Z            1
_cell_length_a                   7.291(4)
_cell_length_b                   11.546(6)
_cell_length_c                   13.795(7)
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      2.84
_cell_volume                     1126.9(10)
_computing_cell_refinement       'Bruker SAINT (Bruker, 2011)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2011)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2011)'
_computing_molecular_graphics    'CrystalMaker (Palmer, 2010)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 2011)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0190
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12085
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    1.173
_exptl_absorpt_correction_T_max  0.8759
_exptl_absorpt_correction_T_min  0.7725
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS SHELXL-97 (Sheldrick, 2008)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             598
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.602
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         3981
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0421P)²+1.8554P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0796
_refine_ls_wR_factor_ref         0.0806
_reflns_number_gt                3769
_reflns_number_total             3981
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-403-63-77-2.cif
_cod_data_source_block           compound_2
_cod_original_cell_volume        1126.9(11)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1517636
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu 0.72048(4) 0.55152(2) 0.868298(19) 0.01172(10) Uani 1 1 d .
P1 P 0.44032(8) 0.34073(5) 0.93386(4) 0.01144(14) Uani 1 1 d .
P2 P 0.44936(8) -0.06026(5) 1.35263(4) 0.01215(14) Uani 1 1 d .
O1 O 0.9596(2) 0.45680(16) 0.89211(14) 0.0229(4) Uani 1 1 d .
H1A' H 0.9225 0.3829 0.8793 0.028 Uiso 1 1 calc R
H1B' H 0.9964 0.4778 0.9531 0.028 Uiso 1 1 d R
O2 O 0.5199(2) 0.41913(14) 0.86377(12) 0.0148(3) Uani 1 1 d .
O3 O 0.3482(2) 0.21685(14) 0.87103(12) 0.0148(3) Uani 1 1 d .
H3' H 0.4184 0.1954 0.8277 0.018 Uiso 1 1 calc R
O4 O 0.2914(2) 0.38624(14) 0.99373(11) 0.0142(3) Uani 1 1 d .
O5 O 0.6432(2) -0.02244(14) 1.40253(12) 0.0154(3) Uani 1 1 d .
O6 O 0.3115(2) -0.11074(14) 1.42637(12) 0.0152(3) Uani 1 1 d .
H6' H 0.3315 -0.0658 1.4818 0.018 Uiso 1 1 calc R
O7 O 0.4310(2) -0.15231(14) 1.26062(12) 0.0166(3) Uani 1 1 d .
O90 O 0.0813(3) 0.15871(16) 0.65923(13) 0.0224(4) Uani 1 1 d D
H90A H 0.156(3) 0.116(2) 0.633(2) 0.027 Uiso 1 1 d D
H90B H -0.018(3) 0.140(3) 0.623(2) 0.027 Uiso 1 1 d D
O91 O 0.1800(6) 0.4130(2) 0.7135(3) 0.0830(12) Uani 1 1 d D
H91A H 0.161(8) 0.415(5) 0.7738(17) 0.100 Uiso 1 1 d D
H91B H 0.173(8) 0.340(2) 0.688(3) 0.100 Uiso 1 1 d D
O92 O 0.0886(3) 0.78778(17) 0.15370(14) 0.0249(4) Uani 1 1 d D
H92A H 0.188(3) 0.811(3) 0.193(2) 0.030 Uiso 1 1 d D
H92B H 0.005(3) 0.805(3) 0.190(2) 0.030 Uiso 1 1 d D
N1 N 0.7251(3) 0.51260(17) 0.72142(14) 0.0146(4) Uani 1 1 d .
N2 N 0.8862(3) 0.70113(17) 0.84924(15) 0.0139(4) Uani 1 1 d .
C1 C 0.6471(3) 0.4145(2) 0.66017(18) 0.0185(5) Uani 1 1 d .
H1 H 0.5812 0.3506 0.6862 0.022 Uiso 1 1 calc R
C2 C 0.6586(4) 0.4018(2) 0.55785(19) 0.0227(5) Uani 1 1 d .
H2 H 0.6016 0.3299 0.5158 0.027 Uiso 1 1 calc R
C3 C 0.7520(4) 0.4929(2) 0.51859(18) 0.0205(5) Uani 1 1 d .
H3 H 0.7570 0.4857 0.4492 0.025 Uiso 1 1 calc R
C4 C 0.8400(3) 0.5969(2) 0.58226(18) 0.0170(5) Uani 1 1 d .
C5 C 0.9467(3) 0.6968(2) 0.55043(19) 0.0200(5) Uani 1 1 d .
H5 H 0.9585 0.6952 0.4820 0.024 Uiso 1 1 calc R
C6 C 1.0304(3) 0.7929(2) 0.61640(19) 0.0195(5) Uani 1 1 d .
H6 H 1.1012 0.8576 0.5935 0.023 Uiso 1 1 calc R
C7 C 1.0150(3) 0.7997(2) 0.72006(18) 0.0164(5) Uani 1 1 d .
C8 C 1.0968(3) 0.8973(2) 0.79267(19) 0.0185(5) Uani 1 1 d .
H8 H 1.1688 0.9650 0.7746 0.022 Uiso 1 1 calc R
C9 C 1.0714(3) 0.8939(2) 0.89012(19) 0.0183(5) Uani 1 1 d .
H9 H 1.1264 0.9593 0.9398 0.022 Uiso 1 1 calc R
C10 C 0.9641(3) 0.7940(2) 0.91618(18) 0.0165(5) Uani 1 1 d .
H10 H 0.9471 0.7930 0.9838 0.020 Uiso 1 1 calc R
C11 C 0.9107(3) 0.7035(2) 0.75288(17) 0.0142(5) Uani 1 1 d .
C12 C 0.8237(3) 0.6017(2) 0.68355(17) 0.0140(5) Uani 1 1 d .
C13 C 0.6266(3) 0.3148(2) 1.01488(17) 0.0143(5) Uani 1 1 d .
H13A H 0.7076 0.2678 0.9752 0.017 Uiso 1 1 calc R
H13B H 0.7029 0.3924 1.0450 0.017 Uiso 1 1 calc R
C14 C 0.5616(3) 0.2498(2) 1.09627(17) 0.0137(5) Uani 1 1 d .
C15 C 0.4643(3) 0.1333(2) 1.07451(17) 0.0148(5) Uani 1 1 d .
H15 H 0.4408 0.0939 1.0077 0.018 Uiso 1 1 calc R
C16 C 0.4014(3) 0.0744(2) 1.14895(18) 0.0155(5) Uani 1 1 d .
H16 H 0.3353 -0.0049 1.1324 0.019 Uiso 1 1 calc R
C17 C 0.4333(3) 0.1295(2) 1.24755(17) 0.0147(5) Uani 1 1 d .
C18 C 0.5327(3) 0.2445(2) 1.26914(17) 0.0154(5) Uani 1 1 d .
H18 H 0.5585 0.2832 1.3360 0.018 Uiso 1 1 calc R
C19 C 0.5955(3) 0.3042(2) 1.19469(18) 0.0155(5) Uani 1 1 d .
H19 H 0.6624 0.3832 1.2114 0.019 Uiso 1 1 calc R
C20 C 0.3539(3) 0.0681(2) 1.32801(17) 0.0161(5) Uani 1 1 d .
H20A H 0.2182 0.0432 1.3108 0.019 Uiso 1 1 calc R
H20B H 0.3705 0.1275 1.3899 0.019 Uiso 1 1 calc R
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O4 Cu1 O2 94.49(7) 2_667 .
O4 Cu1 N1 170.80(7) 2_667 .
O2 Cu1 N1 90.37(7) . .
O4 Cu1 N2 91.90(8) 2_667 .
O2 Cu1 N2 165.99(7) . .
N1 Cu1 N2 81.72(8) . .
O4 Cu1 O1 95.34(7) 2_667 .
O2 Cu1 O1 98.35(8) . .
N1 Cu1 O1 91.67(8) . .
N2 Cu1 O1 93.44(8) . .
O4 P1 O2 115.38(10) . .
O4 P1 O3 106.48(10) . .
O2 P1 O3 107.96(10) . .
O4 P1 C13 109.84(11) . .
O2 P1 C13 109.45(10) . .
O3 P1 C13 107.40(10) . .
O7 P2 O5 115.28(10) . .
O7 P2 O6 107.71(10) . .
O5 P2 O6 110.37(10) . .
O7 P2 C20 110.21(11) . .
O5 P2 C20 110.22(11) . .
O6 P2 C20 102.22(10) . .
Cu1 O1 H1A' 109.5 . .
Cu1 O1 H1B' 105.6 . .
H1A' O1 H1B' 109.5 . .
P1 O2 Cu1 137.21(10) . .
P1 O3 H3' 109.5 . .
P1 O4 Cu1 134.17(10) . 2_667
P2 O6 H6' 109.5 . .
H90A O90 H90B 105(3) . .
H91A O91 H91B 106(4) . .
H92A O92 H92B 103(3) . .
C1 N1 C12 118.4(2) . .
C1 N1 Cu1 128.68(16) . .
C12 N1 Cu1 112.94(16) . .
C10 N2 C11 118.7(2) . .
C10 N2 Cu1 128.83(17) . .
C11 N2 Cu1 112.42(16) . .
N1 C1 C2 121.9(2) . .
N1 C1 H1 119.0 . .
C2 C1 H1 119.0 . .
C3 C2 C1 120.1(2) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C2 C3 C4 119.1(2) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C12 C4 C3 117.2(2) . .
C12 C4 C5 118.5(2) . .
C3 C4 C5 124.3(2) . .
C6 C5 C4 120.9(2) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C7 121.5(2) . .
C5 C6 H6 119.2 . .
C7 C6 H6 119.2 . .
C11 C7 C8 116.8(2) . .
C11 C7 C6 118.6(2) . .
C8 C7 C6 124.6(2) . .
C9 C8 C7 119.3(2) . .
C9 C8 H8 120.3 . .
C7 C8 H8 120.3 . .
C8 C9 C10 120.0(2) . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
N2 C10 C9 121.8(2) . .
N2 C10 H10 119.1 . .
C9 C10 H10 119.1 . .
N2 C11 C7 123.4(2) . .
N2 C11 C12 116.7(2) . .
C7 C11 C12 119.9(2) . .
N1 C12 C4 123.2(2) . .
N1 C12 C11 116.2(2) . .
C4 C12 C11 120.6(2) . .
C14 C13 P1 114.08(16) . .
C14 C13 H13A 108.7 . .
P1 C13 H13A 108.7 . .
C14 C13 H13B 108.7 . .
P1 C13 H13B 108.7 . .
H13A C13 H13B 107.6 . .
C19 C14 C15 118.0(2) . .
C19 C14 C13 121.2(2) . .
C15 C14 C13 120.8(2) . .
C16 C15 C14 120.9(2) . .
C16 C15 H15 119.5 . .
C14 C15 H15 119.5 . .
C15 C16 C17 121.1(2) . .
C15 C16 H16 119.5 . .
C17 C16 H16 119.5 . .
C18 C17 C16 117.9(2) . .
C18 C17 C20 121.1(2) . .
C16 C17 C20 120.9(2) . .
C17 C18 C19 121.2(2) . .
C17 C18 H18 119.4 . .
C19 C18 H18 119.4 . .
C14 C19 C18 120.8(2) . .
C14 C19 H19 119.6 . .
C18 C19 H19 119.6 . .
C17 C20 P2 117.29(16) . .
C17 C20 H20A 108.0 . .
P2 C20 H20A 108.0 . .
C17 C20 H20B 108.0 . .
P2 C20 H20B 108.0 . .
H20A C20 H20B 107.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O4 1.9305(18) 2_667
Cu1 O2 1.9357(18) .
Cu1 N1 2.004(2) .
Cu1 N2 2.014(2) .
Cu1 O1 2.233(2) .
P1 O4 1.5076(17) .
P1 O2 1.5123(17) .
P1 O3 1.5711(17) .
P1 C13 1.801(2) .
P2 O7 1.4976(18) .
P2 O5 1.5025(19) .
P2 O6 1.5879(17) .
P2 C20 1.805(2) .
O1 H1A' 0.8400 .
O1 H1B' 0.8501 .
O3 H3' 0.8400 .
O4 Cu1 1.9305(18) 2_667
O6 H6' 0.8400 .
O90 H90A 0.849(17) .
O90 H90B 0.834(17) .
O91 H91A 0.848(19) .
O91 H91B 0.850(19) .
O92 H92A 0.857(18) .
O92 H92B 0.837(17) .
N1 C1 1.321(3) .
N1 C12 1.358(3) .
N2 C10 1.321(3) .
N2 C11 1.356(3) .
C1 C2 1.403(4) .
C1 H1 0.9500 .
C2 C3 1.369(4) .
C2 H2 0.9500 .
C3 C4 1.403(4) .
C3 H3 0.9500 .
C4 C12 1.402(3) .
C4 C5 1.435(3) .
C5 C6 1.349(4) .
C5 H5 0.9500 .
C6 C7 1.431(4) .
C6 H6 0.9500 .
C7 C11 1.402(3) .
C7 C8 1.405(4) .
C8 C9 1.374(4) .
C8 H8 0.9500 .
C9 C10 1.402(3) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C12 1.421(3) .
C13 C14 1.510(3) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C19 1.388(3) .
C14 C15 1.396(3) .
C15 C16 1.386(3) .
C15 H15 0.9500 .
C16 C17 1.392(3) .
C16 H16 0.9500 .
C17 C18 1.387(3) .
C17 C20 1.510(3) .
C18 C19 1.391(3) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
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_4
O4 P1 O2 Cu1 88.78(16) . .
O3 P1 O2 Cu1 -152.29(14) . .
C13 P1 O2 Cu1 -35.68(18) . .
O4 Cu1 O2 P1 -30.61(16) 2_667 .
N1 Cu1 O2 P1 157.21(16) . .
N2 Cu1 O2 P1 -147.5(3) . .
O1 Cu1 O2 P1 65.47(16) . .
O2 P1 O4 Cu1 -110.48(14) . 2_667
O3 P1 O4 Cu1 129.77(13) . 2_667
C13 P1 O4 Cu1 13.77(17) . 2_667
O4 Cu1 N1 C1 -136.2(4) 2_667 .
O2 Cu1 N1 C1 -14.3(2) . .
N2 Cu1 N1 C1 177.4(2) . .
O1 Cu1 N1 C1 84.1(2) . .
O4 Cu1 N1 C12 43.9(5) 2_667 .
O2 Cu1 N1 C12 165.93(16) . .
N2 Cu1 N1 C12 -2.47(15) . .
O1 Cu1 N1 C12 -95.70(16) . .
O4 Cu1 N2 C10 6.6(2) 2_667 .
O2 Cu1 N2 C10 123.8(3) . .
N1 Cu1 N2 C10 180.0(2) . .
O1 Cu1 N2 C10 -88.8(2) . .
O4 Cu1 N2 C11 -170.92(15) 2_667 .
O2 Cu1 N2 C11 -53.8(4) . .
N1 Cu1 N2 C11 2.43(15) . .
O1 Cu1 N2 C11 93.62(16) . .
C12 N1 C1 C2 -2.0(4) . .
Cu1 N1 C1 C2 178.17(18) . .
N1 C1 C2 C3 -0.3(4) . .
C1 C2 C3 C4 1.9(4) . .
C2 C3 C4 C12 -1.1(3) . .
C2 C3 C4 C5 178.0(2) . .
C12 C4 C5 C6 0.4(4) . .
C3 C4 C5 C6 -178.7(2) . .
C4 C5 C6 C7 -0.6(4) . .
C5 C6 C7 C11 0.2(3) . .
C5 C6 C7 C8 -179.3(2) . .
C11 C7 C8 C9 0.1(3) . .
C6 C7 C8 C9 179.6(2) . .
C7 C8 C9 C10 -0.3(3) . .
C11 N2 C10 C9 -0.2(3) . .
Cu1 N2 C10 C9 -177.64(17) . .
C8 C9 C10 N2 0.3(4) . .
C10 N2 C11 C7 0.0(3) . .
Cu1 N2 C11 C7 177.83(18) . .
C10 N2 C11 C12 -179.9(2) . .
Cu1 N2 C11 C12 -2.0(2) . .
C8 C7 C11 N2 0.1(3) . .
C6 C7 C11 N2 -179.5(2) . .
C8 C7 C11 C12 179.9(2) . .
C6 C7 C11 C12 0.3(3) . .
C1 N1 C12 C4 2.9(3) . .
Cu1 N1 C12 C4 -177.26(17) . .
C1 N1 C12 C11 -177.7(2) . .
Cu1 N1 C12 C11 2.1(2) . .
C3 C4 C12 N1 -1.3(3) . .
C5 C4 C12 N1 179.5(2) . .
C3 C4 C12 C11 179.3(2) . .
C5 C4 C12 C11 0.2(3) . .
N2 C11 C12 N1 0.0(3) . .
C7 C11 C12 N1 -179.9(2) . .
N2 C11 C12 C4 179.3(2) . .
C7 C11 C12 C4 -0.5(3) . .
O4 P1 C13 C14 45.33(19) . .
O2 P1 C13 C14 172.96(16) . .
O3 P1 C13 C14 -70.08(18) . .
P1 C13 C14 C19 -115.6(2) . .
P1 C13 C14 C15 64.0(3) . .
C19 C14 C15 C16 0.8(3) . .
C13 C14 C15 C16 -178.7(2) . .
C14 C15 C16 C17 -0.1(3) . .
C15 C16 C17 C18 -1.0(3) . .
C15 C16 C17 C20 176.0(2) . .
C16 C17 C18 C19 1.3(3) . .
C20 C17 C18 C19 -175.7(2) . .
C15 C14 C19 C18 -0.6(3) . .
C13 C14 C19 C18 179.0(2) . .
C17 C18 C19 C14 -0.5(3) . .
C18 C17 C20 P2 -114.0(2) . .
C16 C17 C20 P2 69.1(3) . .
O7 P2 C20 C17 -56.8(2) . .
O5 P2 C20 C17 71.6(2) . .
O6 P2 C20 C17 -171.07(18) . .
