#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:11:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179443 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/40/4334076.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_4334076
loop_
_publ_author_name
'Weiting Yang'
'Tao Tian'
'Hong-Yue Wu'
'Qing-Jiang Pan'
'Song Dang'
'Zhong-Ming Sun'
_publ_section_title
;
 Syntheses and Structures of a Series of Uranyl Phosphonates and
 Sulfonates: An Insight into Their Correlations and Discrepancies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2736
_journal_page_last               2743
_journal_paper_doi               10.1021/ic302847g
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C39 H32 N6 O20 P4 U3'
_chemical_formula_weight         1742.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.815(3)
_cell_angle_beta                 93.434(3)
_cell_angle_gamma                117.157(2)
_cell_formula_units_Z            1
_cell_length_a                   9.7096(12)
_cell_length_b                   10.6095(14)
_cell_length_c                   14.018(3)
_cell_measurement_temperature    273(2)
_cell_volume                     1238.0(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0642
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6858
_diffrn_reflns_theta_full        26.12
_diffrn_reflns_theta_max         26.12
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    9.998
_exptl_crystal_density_diffrn    2.337
_exptl_crystal_F_000             804
_refine_diff_density_max         3.224
_refine_diff_density_min         -2.551
_refine_diff_density_rms         0.268
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         5719
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.094
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0554P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0980
_refine_ls_wR_factor_ref         0.1000
_reflns_number_gt                5478
_reflns_number_total             5719
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302847g_si_002_1.cif
_cod_data_source_block           UPhP-1
_cod_database_code               4334076
loop_
_symmetry_equiv_pos_as_xyz
'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
U1 U 0.64346(7) 0.37945(7) 0.91539(4) 0.01517(15) Uani 1 1 d .
U2 U 0.32901(5) 0.83296(5) 0.93447(4) 0.01430(15) Uani 1 1 d .
U3 U -0.03286(6) -0.06161(5) 0.93497(4) 0.01462(15) Uani 1 1 d .
P1 P 0.3078(5) 0.1806(5) 1.0371(3) 0.0158(9) Uani 1 1 d .
P2 P 0.5546(6) 0.6440(5) 0.8424(3) 0.0177(10) Uani 1 1 d .
P3 P -0.0041(5) 0.5981(5) 0.8171(3) 0.0140(9) Uani 1 1 d .
P4 P -0.2613(6) 0.1267(5) 1.0106(3) 0.0184(10) Uani 1 1 d .
C1 C 0.361(2) 0.2164(18) 1.1685(12) 0.019(4) Uani 1 1 d .
C2 C 0.511(2) 0.264(2) 1.2143(14) 0.035(5) Uiso 1 1 d .
H2 H 0.5890 0.2796 1.1760 0.042 Uiso 1 1 calc R
C3 C 0.549(3) 0.288(2) 1.3135(14) 0.042(6) Uani 1 1 d .
H3 H 0.6521 0.3202 1.3424 0.051 Uiso 1 1 calc R
C4 C 0.433(3) 0.265(3) 1.3720(14) 0.043(6) Uani 1 1 d .
H4 H 0.4566 0.2764 1.4395 0.051 Uiso 1 1 calc R
C5 C 0.283(3) 0.225(2) 1.3300(12) 0.037(5) Uani 1 1 d .
H5 H 0.2069 0.2161 1.3693 0.044 Uiso 1 1 calc R
C6 C 0.246(2) 0.199(2) 1.2275(13) 0.030(4) Uani 1 1 d .
H6 H 0.1437 0.1686 1.1984 0.036 Uiso 1 1 calc R
C7 C 0.476(2) 0.616(2) 0.7156(12) 0.023(4) Uani 1 1 d .
C8 C 0.359(3) 0.478(3) 0.6635(16) 0.040(5) Uani 1 1 d .
H8 H 0.3208 0.4008 0.6935 0.048 Uiso 1 1 calc R
C9 C 0.301(3) 0.456(3) 0.5655(16) 0.047(7) Uani 1 1 d .
H9 H 0.2260 0.3629 0.5288 0.056 Uiso 1 1 calc R
C10 C 0.350(3) 0.569(3) 0.5225(15) 0.043(6) Uani 1 1 d .
H10 H 0.3065 0.5519 0.4573 0.052 Uiso 1 1 calc R
C11 C 0.464(3) 0.708(3) 0.5735(14) 0.049(7) Uani 1 1 d .
H11 H 0.5011 0.7833 0.5423 0.059 Uiso 1 1 calc R
C12 C 0.524(2) 0.734(2) 0.6740(13) 0.032(4) Uiso 1 1 d .
H12 H 0.5948 0.8281 0.7115 0.038 Uiso 1 1 calc R
C13 C -0.043(2) 0.6041(18) 0.6934(11) 0.017(4) Uani 1 1 d .
C14 C -0.197(2) 0.568(2) 0.6545(12) 0.032(5) Uani 1 1 d .
H14 H -0.2748 0.5421 0.6934 0.038 Uiso 1 1 calc R
C15 C -0.233(3) 0.570(3) 0.5540(15) 0.043(5) Uiso 1 1 d .
H15 H -0.3348 0.5451 0.5267 0.052 Uiso 1 1 calc R
C16 C -0.114(2) 0.610(2) 0.4989(13) 0.037(5) Uani 1 1 d .
H16 H -0.1345 0.6144 0.4343 0.045 Uiso 1 1 calc R
C17 C 0.031(2) 0.642(2) 0.5376(13) 0.034(5) Uani 1 1 d .
H17 H 0.1091 0.6690 0.4990 0.041 Uiso 1 1 calc R
C18 C 0.068(2) 0.638(2) 0.6310(12) 0.029(4) Uani 1 1 d .
H18 H 0.1696 0.6581 0.6541 0.035 Uiso 1 1 calc R
C19 C -0.161(2) 0.212(2) 1.1376(11) 0.022(4) Uani 1 1 d .
C20 C -0.195(2) 0.128(2) 1.2066(15) 0.030(5) Uani 1 1 d .
H20 H -0.2629 0.0278 1.1852 0.036 Uiso 1 1 calc R
C21 C -0.131(3) 0.191(3) 1.3049(14) 0.049(7) Uani 1 1 d .
H21 H -0.1614 0.1354 1.3504 0.058 Uiso 1 1 calc R
C22 C -0.019(3) 0.341(3) 1.3369(14) 0.049(7) Uani 1 1 d .
H22 H 0.0288 0.3840 1.4030 0.059 Uiso 1 1 calc R
C23 C 0.021(3) 0.426(3) 1.2672(13) 0.042(6) Uani 1 1 d .
H23 H 0.0953 0.5246 1.2865 0.051 Uiso 1 1 calc R
C24 C -0.054(2) 0.358(2) 1.1686(14) 0.032(4) Uani 1 1 d .
H24 H -0.0316 0.4136 1.1229 0.039 Uiso 1 1 calc R
C25 C 1.039(2) 0.872(2) 0.3601(12) 0.025(4) Uiso 1 1 d .
C26 C 1.0297(19) 0.955(2) 0.4495(12) 0.023(4) Uani 1 1 d .
H26 H 1.1186 1.0165 0.4978 0.028 Uiso 1 1 calc R
C27 C 0.880(2) 0.941(2) 0.4634(12) 0.031(5) Uani 1 1 d .
C28 C 0.751(2) 0.852(2) 0.3906(11) 0.028(4) Uani 1 1 d .
H28 H 0.6529 0.8417 0.4012 0.034 Uiso 1 1 calc R
C29 C 0.7647(19) 0.7801(18) 0.3042(11) 0.019(3) Uani 1 1 d .
C30 C 0.911(2) 0.790(2) 0.2869(12) 0.026(4) Uani 1 1 d .
H30 H 0.9201 0.7412 0.2264 0.032 Uiso 1 1 calc R
C31 C 0.9664(19) 1.0793(19) 0.6401(12) 0.024(4) Uani 1 1 d .
H31 H 1.0469 1.0579 0.6545 0.029 Uiso 1 1 calc R
C32 C 0.800(3) 1.161(2) 0.6538(15) 0.034(5) Uani 1 1 d .
H32 H 0.7457 1.2091 0.6808 0.041 Uiso 1 1 calc R
C33 C 0.767(2) 1.081(3) 0.5622(14) 0.038(5) Uani 1 1 d .
H33 H 0.6870 1.0635 0.5132 0.045 Uiso 1 1 calc R
C34 C 1.308(2) 0.914(2) 0.4196(12) 0.033(5) Uani 1 1 d .
H34 H 1.3053 0.9331 0.4870 0.039 Uiso 1 1 calc R
C35 C 1.388(2) 0.884(2) 0.2805(15) 0.039(5) Uani 1 1 d .
H35 H 1.4515 0.8790 0.2347 0.047 Uiso 1 1 calc R
C36 C 1.240(2) 0.866(2) 0.2585(13) 0.033(5) Uani 1 1 d .
H36 H 1.1844 0.8452 0.1960 0.040 Uiso 1 1 calc R
C37 C 0.626(2) 0.7104(19) 0.1329(12) 0.019(4) Uiso 1 1 d .
H37 H 0.7096 0.7731 0.1075 0.022 Uiso 1 1 calc R
C38 C 0.392(2) 0.551(2) 0.1479(13) 0.027(4) Uani 1 1 d .
H38 H 0.2852 0.4847 0.1317 0.032 Uiso 1 1 calc R
C39 C 0.481(2) 0.589(2) 0.2346(13) 0.028(4) Uani 1 1 d .
H39 H 0.4503 0.5540 0.2897 0.033 Uiso 1 1 calc R
N1 N 0.8725(19) 1.0292(17) 0.5514(10) 0.030(4) Uani 1 1 d .
N2 N 0.9284(19) 1.1621(17) 0.7034(10) 0.030(4) Uani 1 1 d .
N3 N 1.1897(16) 0.8843(18) 0.3478(9) 0.026(3) Uani 1 1 d .
N4 N 1.4268(17) 0.911(2) 0.3807(11) 0.037(4) Uani 1 1 d .
N5 N 0.6328(16) 0.6939(16) 0.2259(10) 0.021(3) Uiso 1 1 d .
N6 N 0.4824(17) 0.6230(17) 0.0848(10) 0.026(4) Uani 1 1 d .
O1 O -0.0642(17) -0.1022(17) 1.0500(9) 0.026(3) Uani 1 1 d .
O2 O 0.0036(16) -0.0257(15) 0.8190(8) 0.023(3) Uani 1 1 d .
O3 O -0.2720(16) -0.2533(16) 0.8570(9) 0.027(3) Uani 1 1 d .
O4 O -0.1786(16) 0.0542(14) 0.9522(8) 0.025(3) Uani 1 1 d .
O5 O 0.0400(13) -0.2504(13) 0.8859(7) 0.016(2) Uiso 1 1 d .
O6 O 0.1622(14) 0.1939(14) 1.0162(8) 0.017(3) Uani 1 1 d .
O7 O 0.4463(15) 0.2848(14) 1.0018(8) 0.023(3) Uiso 1 1 d .
O8 O 0.5408(15) 0.2327(14) 0.8073(8) 0.026(3) Uiso 1 1 d .
O9 O 0.7473(14) 0.5294(14) 1.0196(9) 0.026(3) Uani 1 1 d .
O10 O 0.2922(15) 0.7756(15) 1.0427(8) 0.021(3) Uani 1 1 d .
O11 O 0.3623(15) 0.8833(14) 0.8222(8) 0.018(3) Uani 1 1 d .
O12 O 0.1477(15) 0.5861(14) 0.8341(8) 0.022(3) Uani 1 1 d .
O13 O 0.2580(14) 1.0189(14) 0.9885(8) 0.019(2) Uiso 1 1 d .
O14 O 0.4735(15) 0.7039(13) 0.9140(7) 0.018(3) Uani 1 1 d .
O15 O 0.5712(15) 1.0175(16) 1.0153(9) 0.027(3) Uani 1 1 d .
O16 O 0.7413(16) 0.2507(16) 0.9720(8) 0.030(3) Uani 1 1 d .
O17 O 0.5241(14) 0.4936(13) 0.8540(9) 0.026(3) Uani 1 1 d .
O18 O -0.1506(14) 0.4740(14) 0.8336(8) 0.021(3) Uani 1 1 d .
O1W O 0.2690(17) 0.0184(16) 0.6611(9) 0.039(3) Uani 1 1 d .
O2W O 0.1166(18) 0.3237(17) 0.8665(10) 0.047(4) Uani 1 1 d .
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'
U U -9.6767 9.6646 '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
O9 U1 O8 177.8(6) . .
O9 U1 O16 91.4(5) . .
O8 U1 O16 90.1(5) . .
O9 U1 O17 92.1(5) . .
O8 U1 O17 86.5(5) . .
O16 U1 O17 175.3(5) . .
O9 U1 O7 88.6(5) . .
O8 U1 O7 92.9(5) . .
O16 U1 O7 86.8(5) . .
O17 U1 O7 90.1(5) . .
O9 U1 O18 90.1(5) . 1_655
O8 U1 O18 88.3(5) . 1_655
O16 U1 O18 90.9(5) . 1_655
O17 U1 O18 92.3(5) . 1_655
O7 U1 O18 177.4(4) . 1_655
O11 U2 O10 177.6(6) . .
O11 U2 O15 91.9(6) . .
O10 U2 O15 90.0(6) . .
O11 U2 O14 93.3(5) . .
O10 U2 O14 85.5(5) . .
O15 U2 O14 80.5(5) . .
O11 U2 O13 90.2(5) . .
O10 U2 O13 91.6(5) . .
O15 U2 O13 81.8(5) . .
O14 U2 O13 162.1(4) . .
O11 U2 O12 86.9(5) . .
O10 U2 O12 90.8(5) . .
O15 U2 O12 153.8(4) . .
O14 U2 O12 73.4(4) . .
O13 U2 O12 124.4(4) . .
O11 U2 O5 89.4(5) . 1_565
O10 U2 O5 89.8(5) . 1_565
O15 U2 O5 147.8(4) . 1_565
O14 U2 O5 131.5(4) . 1_565
O13 U2 O5 66.1(4) . 1_565
O12 U2 O5 58.4(4) . 1_565
O11 U2 P3 85.1(4) . .
O10 U2 P3 93.2(4) . .
O15 U2 P3 175.7(4) . .
O14 U2 P3 102.6(3) . .
O13 U2 P3 95.2(3) . .
O12 U2 P3 29.2(3) . .
O5 U2 P3 29.5(3) 1_565 .
O2 U3 O1 177.2(6) . .
O2 U3 O4 91.9(5) . .
O1 U3 O4 90.9(5) . .
O2 U3 O3 88.3(6) . .
O1 U3 O3 92.0(6) . .
O4 U3 O3 80.7(5) . .
O2 U3 O5 86.2(5) . .
O1 U3 O5 91.1(5) . .
O4 U3 O5 160.9(4) . .
O3 U3 O5 80.2(4) . .
O2 U3 O6 89.2(5) . .
O1 U3 O6 91.5(6) . .
O4 U3 O6 76.8(4) . .
O3 U3 O6 157.3(4) . .
O5 U3 O6 122.2(4) . .
O2 U3 O13 90.5(5) . 1_545
O1 U3 O13 87.7(5) . 1_545
O4 U3 O13 134.0(4) . 1_545
O3 U3 O13 145.3(4) . 1_545
O5 U3 O13 65.1(4) . 1_545
O6 U3 O13 57.3(4) . 1_545
O2 U3 P1 91.4(5) . .
O1 U3 P1 88.0(5) . .
O4 U3 P1 104.7(3) . .
O3 U3 P1 174.6(3) . .
O5 U3 P1 94.4(3) . .
O6 U3 P1 28.1(3) . .
O13 U3 P1 29.3(3) 1_545 .
O6 P1 O7 114.0(7) . .
O6 P1 O13 104.7(7) . 1_545
O7 P1 O13 112.9(7) . 1_545
O6 P1 C1 108.7(8) . .
O7 P1 C1 107.5(7) . .
O13 P1 C1 108.9(7) 1_545 .
O6 P1 U3 50.3(5) . .
O7 P1 U3 134.3(5) . .
O13 P1 U3 54.5(5) 1_545 .
C1 P1 U3 118.1(6) . .
O3 P2 O17 110.7(7) 1_665 .
O3 P2 O14 112.2(7) 1_665 .
O17 P2 O14 109.4(7) . .
O3 P2 C7 106.4(8) 1_665 .
O17 P2 C7 106.6(8) . .
O14 P2 C7 111.3(8) . .
O18 P3 O12 115.5(7) . .
O18 P3 O5 113.9(7) . 1_565
O12 P3 O5 103.2(7) . 1_565
O18 P3 C13 106.2(7) . .
O12 P3 C13 109.8(8) . .
O5 P3 C13 107.9(7) 1_565 .
O18 P3 U2 138.7(4) . .
O12 P3 U2 50.1(5) . .
O5 P3 U2 53.6(4) 1_565 .
C13 P3 U2 115.1(6) . .
O16 P4 O4 112.0(8) 1_455 .
O16 P4 O15 110.6(8) 1_455 1_445
O4 P4 O15 112.5(8) . 1_445
O16 P4 C19 104.8(8) 1_455 .
O4 P4 C19 110.6(7) . .
O15 P4 C19 105.9(8) 1_445 .
C2 C1 C6 118.0(16) . .
C2 C1 P1 122.7(14) . .
C6 C1 P1 119.3(14) . .
C3 C2 C1 122(2) . .
C2 C3 C4 119.5(19) . .
C3 C4 C5 120.0(17) . .
C4 C5 C6 119.3(19) . .
C1 C6 C5 120.8(18) . .
C8 C7 C12 121.0(18) . .
C8 C7 P2 118.6(16) . .
C12 C7 P2 120.2(14) . .
C7 C8 C9 118(2) . .
C10 C9 C8 121(2) . .
C9 C10 C11 121(2) . .
C10 C11 C12 119(2) . .
C7 C12 C11 119(2) . .
C18 C13 C14 117.8(16) . .
C18 C13 P3 124.3(14) . .
C14 C13 P3 117.9(13) . .
C13 C14 C15 119.4(17) . .
C16 C15 C14 118.6(19) . .
C17 C16 C15 120.5(17) . .
C16 C17 C18 122.4(18) . .
C17 C18 C13 121.3(18) . .
C24 C19 C20 118.9(16) . .
C24 C19 P4 121.4(14) . .
C20 C19 P4 119.7(15) . .
C19 C20 C21 121(2) . .
C20 C21 C22 120(2) . .
C21 C22 C23 119.2(17) . .
C24 C23 C22 119(2) . .
C19 C24 C23 122(2) . .
C30 C25 C26 121.2(16) . .
C30 C25 N3 121.5(15) . .
C26 C25 N3 117.2(14) . .
C25 C26 C27 117.6(15) . .
C28 C27 N1 121.6(17) . .
C28 C27 C26 120.6(16) . .
N1 C27 C26 117.7(16) . .
C29 C28 C27 120.3(17) . .
C28 C29 N5 120.8(15) . .
C28 C29 C30 121.3(15) . .
N5 C29 C30 117.9(15) . .
C25 C30 C29 118.9(15) . .
N2 C31 N1 110.5(15) . .
C33 C32 N2 108.4(18) . .
C32 C33 N1 108.2(18) . .
N4 C34 N3 110.6(15) . .
N4 C35 C36 109.2(17) . .
C35 C36 N3 106.1(16) . .
N6 C37 N5 108.3(16) . .
C39 C38 N6 109.7(18) . .
C38 C39 N5 105.3(16) . .
C31 N1 C33 106.4(15) . .
C31 N1 C27 127.4(15) . .
C33 N1 C27 126.2(15) . .
C31 N2 C32 106.4(15) . .
C34 N3 C36 107.1(14) . .
C34 N3 C25 127.4(14) . .
C36 N3 C25 125.5(14) . .
C34 N4 C35 106.9(14) . .
C37 N5 C39 108.0(13) . .
C37 N5 C29 125.5(15) . .
C39 N5 C29 126.2(14) . .
C37 N6 C38 108.7(15) . .
P2 O3 U3 157.5(7) 1_445 .
P4 O4 U3 153.9(7) . .
P3 O5 U3 146.9(6) 1_545 .
P3 O5 U2 96.9(5) 1_545 1_545
U3 O5 U2 114.5(4) . 1_545
P1 O6 U3 101.6(6) . .
P1 O7 U1 162.6(8) . .
P3 O12 U2 100.7(6) . .
P1 O13 U2 149.2(7) 1_565 .
P1 O13 U3 96.2(6) 1_565 1_565
U2 O13 U3 114.3(5) . 1_565
P2 O14 U2 144.9(6) . .
P4 O15 U2 149.0(8) 1_665 .
P4 O16 U1 157.0(9) 1_655 .
P2 O17 U1 142.0(7) . .
P3 O18 U1 152.7(8) . 1_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O9 1.758(12) .
U1 O8 1.775(12) .
U1 O16 2.221(12) .
U1 O17 2.267(11) .
U1 O7 2.271(13) .
U1 O18 2.287(12) 1_655
U2 O11 1.765(12) .
U2 O10 1.745(13) .
U2 O15 2.284(13) .
U2 O14 2.359(12) .
U2 O13 2.373(12) .
U2 O12 2.434(13) .
U2 O5 2.526(11) 1_565
U2 P3 3.115(5) .
U3 O2 1.765(12) .
U3 O1 1.761(13) .
U3 O4 2.254(12) .
U3 O3 2.280(14) .
U3 O5 2.403(11) .
U3 O6 2.455(13) .
U3 O13 2.559(12) 1_545
U3 P1 3.124(5) .
P1 O6 1.502(12) .
P1 O7 1.492(14) .
P1 O13 1.538(13) 1_545
P1 C1 1.795(17) .
P2 O3 1.502(15) 1_665
P2 O17 1.529(13) .
P2 O14 1.524(11) .
P2 C7 1.803(17) .
P3 O18 1.505(13) .
P3 O12 1.545(13) .
P3 O5 1.543(12) 1_565
P3 C13 1.774(17) .
P4 O16 1.513(14) 1_455
P4 O4 1.513(12) .
P4 O15 1.521(15) 1_445
P4 C19 1.808(16) .
C1 C2 1.37(3) .
C1 C6 1.39(3) .
C2 C3 1.36(3) .
C3 C4 1.40(3) .
C4 C5 1.37(3) .
C5 C6 1.40(2) .
C7 C8 1.39(3) .
C7 C12 1.38(3) .
C8 C9 1.39(3) .
C9 C10 1.35(3) .
C10 C11 1.38(3) .
C11 C12 1.41(2) .
C13 C18 1.39(3) .
C13 C14 1.40(2) .
C14 C15 1.44(3) .
C15 C16 1.38(3) .
C16 C17 1.33(3) .
C17 C18 1.35(2) .
C19 C24 1.37(3) .
C19 C20 1.40(3) .
C20 C21 1.37(3) .
C21 C22 1.41(4) .
C22 C23 1.41(4) .
C23 C24 1.40(2) .
C25 C30 1.35(2) .
C25 C26 1.41(2) .
C25 N3 1.44(2) .
C26 C27 1.42(2) .
C27 C28 1.37(2) .
C27 N1 1.42(2) .
C28 C29 1.34(2) .
C29 N5 1.43(2) .
C29 C30 1.42(2) .
C31 N2 1.31(2) .
C31 N1 1.347(19) .
C32 C33 1.31(3) .
C32 N2 1.39(2) .
C33 N1 1.37(2) .
C34 N4 1.32(2) .
C34 N3 1.354(19) .
C35 N4 1.37(2) .
C35 C36 1.36(3) .
C36 N3 1.38(2) .
C37 N6 1.31(2) .
C37 N5 1.35(2) .
C38 C39 1.32(2) .
C38 N6 1.38(2) .
C39 N5 1.42(2) .
O3 P2 1.502(15) 1_445
O5 P3 1.543(12) 1_545
O5 U2 2.526(11) 1_545
O13 P1 1.538(13) 1_565
O13 U3 2.559(12) 1_565
O15 P4 1.521(15) 1_665
O16 P4 1.513(14) 1_655
O18 U1 2.287(12) 1_455
