#------------------------------------------------------------------------------
#$Date: 2022-01-06 23:46:37 +0200 (Thu, 06 Jan 2022) $
#$Revision: 271857 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/10/7061076.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_7061076
loop_
_publ_author_name
'Horniichuk, Oleksandr Ye.'
'Trush, Victor A.'
'Kariaka, Nataliia S.'
'Shishkina, Svitlana V.'
'Dyakonenko, Viktoriya V.'
'Severinovskaya, Olga V.'
'Gawryszewska, Paula'
'Domasevitch, Kostiantyn V.'
'Watras, Adam'
'Amirkhanov, Vladimir M.'
_publ_section_title
;
 Novel quadruple-stranded heterometallic Ln2Na complexes hosting sodium
 ions inside the cryptand-like cavity
;
_journal_issue                   47
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              22361
_journal_page_last               22368
_journal_paper_doi               10.1039/D1NJ04353F
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C36 H54 F24 N8 Na2 Nd2 O35 P8'
_chemical_formula_weight         2197.09
_chemical_name_systematic
;
Disodium tetrakis-[(N,N'-bis(dimethoxyphosphoryl)hexafluoroglutaramido)]-
aqua-dineodymium(III) Dihydrate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-10-20 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;
_cell_angle_alpha                105.257(2)
_cell_angle_beta                 104.052(2)
_cell_angle_gamma                109.3800(10)
_cell_formula_units_Z            1
_cell_length_a                   12.1643(2)
_cell_length_b                   12.6444(2)
_cell_length_c                   14.1504(3)
_cell_measurement_reflns_used    24283
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      77.465
_cell_measurement_theta_min      3.474
_cell_volume                     1845.88(7)
_computing_cell_refinement
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
;
_computing_data_collection
;
X-Area Pilatus3_SV 1.31.127.0 (STOE, 2016)
;
_computing_data_reduction
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.77, Darmstadt 2016
;
_computing_molecular_graphics    'Diamond 2.1e (Brandenburg, 1999)'
_computing_publication_material  'WinGX 1.70.01 (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_details      ' 2866 frames, detector distance = 80 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            24157
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         77.299
_diffrn_reflns_theta_min         12.774
_diffrn_source                   'GeniX 3D HF Cu'
_exptl_absorpt_coefficient_mu    13.769
_exptl_absorpt_correction_T_max  0.5762
_exptl_absorpt_correction_T_min  0.3032
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in
F. R. Ahmed (Editor), "Crystallographic Computing",
Munksgaard, Copenhagen (1970), 255 - 270
;
_exptl_crystal_colour            light-blue
_exptl_crystal_density_diffrn    1.976
_exptl_crystal_description       prism
_exptl_crystal_F_000             1084
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.832
_refine_diff_density_min         -1.203
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1055
_refine_ls_number_reflns         7381
_refine_ls_number_restraints     302
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1241P)²+0.6984P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1459
_refine_ls_wR_factor_ref         0.1491
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6805
_reflns_number_total             7381
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1nj04353f2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7061074--7061076.cif.'
_cod_original_cell_volume        1845.88(6)
_cod_database_code               7061076
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.405
_shelx_estimated_absorpt_t_max   0.609
loop_
_space_group_symop_operation_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_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
Nd1 Nd 0.06025(2) 0.01108(2) 0.21056(3) 0.03670(13) Uani 0.95 1 d . . P . .
Nd1A Nd 0.0751(5) 0.0211(4) 0.2632(6) 0.0328(10) Uiso 0.05 1 d . . P . .
P1 P 0.3484(2) -0.0213(2) 0.30202(19) 0.0410(5) Uani 0.5 1 d . U P A -1
P2 P 0.0255(3) -0.2234(3) -0.3704(2) 0.0576(7) Uani 0.5 1 d D U P A -1
P3 P 0.2303(3) 0.3247(2) 0.3825(2) 0.0517(6) Uani 0.5 1 d D U P A -1
P4 P 0.1921(3) 0.2037(3) -0.2471(2) 0.0535(7) Uani 0.5 1 d . U P A -1
O1 O 0.2663(6) 0.0391(8) 0.3164(5) 0.0415(15) Uani 0.5 1 d . . P A -1
O2 O 0.1353(9) -0.1088(9) 0.0949(6) 0.0414(16) Uani 0.5 1 d . . P A -1
O3 O 0.3531(14) -0.0906(13) 0.3792(13) 0.054(3) Uani 0.5 1 d D U P A -1
O4 O 0.4880(7) 0.0722(7) 0.3410(6) 0.0505(17) Uani 0.5 1 d D U P A -1
O5 O -0.0704(10) -0.1828(9) -0.3545(8) 0.0530(19) Uani 0.5 1 d . . P A -1
O6 O 0.112(2) -0.0659(17) -0.140(2) 0.046(4) Uani 0.5 1 d . . P A -1
O7 O 0.0686(12) -0.1761(12) -0.4537(8) 0.072(3) Uani 0.5 1 d D U P A -1
O8 O -0.0255(12) -0.3634(6) -0.4305(7) 0.076(3) Uani 0.5 1 d D U P A -1
O9 O 0.1369(11) 0.2016(8) 0.3514(7) 0.0499(19) Uani 0.5 1 d . . P A -1
O10 O 0.2073(13) 0.1689(12) 0.1714(12) 0.041(3) Uani 0.5 1 d . . P A -1
O11 O 0.3238(11) 0.3980(12) 0.4990(7) 0.042(3) Uani 0.25 1 d D U P A -1
O12 O 0.1418(15) 0.3909(17) 0.3727(18) 0.062(5) Uani 0.25 1 d D U P A -1
O11B O 0.3140(18) 0.3010(17) 0.4714(14) 0.086(5) Uani 0.25 1 d D U P B -2
O12B O 0.228(2) 0.4445(14) 0.4486(16) 0.090(6) Uani 0.25 1 d D U P C -2
O13 O 0.0943(8) 0.0797(9) -0.2849(6) 0.0507(17) Uani 0.5 1 d . . P A -1
O14 O 0.0937(12) 0.1769(9) -0.0700(8) 0.050(2) Uani 0.5 1 d . U P A -1
O15 O 0.1454(15) 0.2649(12) -0.3269(12) 0.069(3) Uani 0.5 1 d D U P A -1
O16 O 0.3185(10) 0.2144(10) -0.2576(7) 0.070(2) Uani 0.5 1 d D U P A -1
N1 N 0.3178(11) -0.1148(13) 0.1856(9) 0.045(2) Uani 0.5 1 d . . P A -1
N2 N 0.150(2) -0.1889(14) -0.2739(15) 0.057(4) Uani 0.5 1 d . U P A -1
N3 N 0.3139(13) 0.3533(10) 0.3120(9) 0.053(3) Uani 0.5 1 d . . P A -1
N4 N 0.2279(9) 0.2974(10) -0.1286(8) 0.049(2) Uani 0.5 1 d . U P A -1
F1 F 0.2282(8) -0.3299(7) 0.0244(5) 0.0571(16) Uani 0.5 1 d . . P A -1
F2 F 0.0932(18) -0.2856(15) -0.0713(15) 0.046(4) Uani 0.5 1 d . . P A -1
F3 F 0.4174(6) -0.1610(7) 0.0099(6) 0.0585(17) Uani 0.5 1 d . . P A -1
F4 F 0.2730(8) -0.2961(7) -0.1408(5) 0.0594(17) Uani 0.5 1 d . . P A -1
F5 F 0.3853(7) -0.0683(8) -0.1339(6) 0.068(2) Uani 0.5 1 d . . P A -1
F6 F 0.3249(19) 0.0029(14) -0.0042(16) 0.078(6) Uani 0.5 1 d . . P A -1
F7 F 0.4986(6) 0.3753(7) 0.2303(5) 0.0575(16) Uani 0.5 1 d . . P A -1
F8 F 0.3643(15) 0.2302(12) 0.0804(10) 0.049(3) Uani 0.5 1 d . . P A -1
F9 F 0.3879(8) 0.5209(6) 0.2023(6) 0.064(2) Uani 0.5 1 d . . P A -1
F10 F 0.4435(7) 0.4504(7) 0.0735(6) 0.0634(19) Uani 0.5 1 d . . P A -1
F11 F 0.2327(9) 0.4829(7) 0.0207(6) 0.068(2) Uani 0.5 1 d . . P A -1
F12 F 0.158(2) 0.362(2) 0.099(2) 0.051(4) Uani 0.5 1 d . . P A -1
C1 C 0.2235(16) -0.1442(12) 0.1036(14) 0.033(3) Uani 0.5 1 d . . P A -1
C2 C 0.169(2) -0.1169(17) -0.178(2) 0.040(4) Uani 0.5 1 d . . P A -1
C3 C 0.2095(10) -0.2380(9) 0.0016(8) 0.042(2) Uani 0.5 1 d . U P A -1
C4 C 0.288(4) -0.206(4) -0.045(4) 0.108(14) Uani 0.5 1 d . U P A -1
C5 C 0.2929(10) -0.0945(11) -0.0939(8) 0.049(2) Uani 0.5 1 d . U P A -1
C6 C 0.414(4) -0.174(3) 0.381(4) 0.085(11) Uani 0.5 1 d D U P A -1
H6A H 0.4032 -0.2047 0.4368 0.127 Uiso 0.5 1 calc R U P A -1
H6B H 0.3749 -0.2410 0.3133 0.127 Uiso 0.5 1 calc R U P A -1
H6C H 0.5028 -0.1301 0.3959 0.127 Uiso 0.5 1 calc R U P A -1
C7 C 0.5222(12) 0.1605(15) 0.2919(13) 0.063(3) Uani 0.5 1 d D U P A -1
H7A H 0.6123 0.2118 0.3251 0.095 Uiso 0.5 1 calc R U P A -1
H7B H 0.5009 0.1179 0.2168 0.095 Uiso 0.5 1 calc R U P A -1
H7C H 0.4763 0.2108 0.3011 0.095 Uiso 0.5 1 calc R U P A -1
C8 C 0.1725(15) -0.1936(16) -0.4821(11) 0.071(3) Uani 0.5 1 d D U P A -1
H8A H 0.1861 -0.1587 -0.5347 0.107 Uiso 0.5 1 calc R U P A -1
H8B H 0.2489 -0.1535 -0.4192 0.107 Uiso 0.5 1 calc R U P A -1
H8C H 0.1514 -0.2803 -0.5111 0.107 Uiso 0.5 1 calc R U P A -1
C9 C -0.054(3) -0.4412(16) -0.3707(14) 0.099(6) Uani 0.5 1 d D U P A -1
H9A H -0.0844 -0.5260 -0.4167 0.149 Uiso 0.5 1 calc R U P A -1
H9B H 0.0226 -0.4192 -0.3119 0.149 Uiso 0.5 1 calc R U P A -1
H9C H -0.1175 -0.4305 -0.3435 0.149 Uiso 0.5 1 calc R U P A -1
C10 C 0.2935(17) 0.278(2) 0.221(2) 0.035(4) Uani 0.5 1 d . . P A -1
C11 C 0.178(2) 0.278(2) -0.064(2) 0.033(3) Uani 0.5 1 d . U P A -1
C12 C 0.3784(10) 0.3241(10) 0.1638(8) 0.045(2) Uani 0.5 1 d . . P A -1
C13 C 0.351(4) 0.428(4) 0.107(3) 0.088(13) Uani 0.5 1 d . . P A -1
C14 C 0.2322(12) 0.3845(10) 0.0406(8) 0.048(2) Uani 0.5 1 d . . P A -1
C15 C 0.427(5) 0.360(7) 0.520(4) 0.074(15) Uani 0.25 1 d D U P A -1
H15A H 0.4839 0.4073 0.5931 0.111 Uiso 0.25 1 calc R U P A -1
H15B H 0.3924 0.2742 0.5081 0.111 Uiso 0.25 1 calc R U P A -1
H15C H 0.4719 0.3749 0.4728 0.111 Uiso 0.25 1 calc R U P A -1
C15B C 0.440(3) 0.382(3) 0.550(3) 0.047(10) Uani 0.25 1 d D U P B -2
H15A H 0.4995 0.3854 0.5141 0.070 Uiso 0.25 1 d R U P B -2
H15B H 0.4597 0.3507 0.6056 0.070 Uiso 0.25 1 d R U P B -2
H15C H 0.4449 0.4631 0.5815 0.070 Uiso 0.25 1 d R U P B -2
C16B C 0.110(4) 0.397(4) 0.361(3) 0.085(12) Uani 0.25 1 d D U P C -2
H16A H 0.0654 0.4477 0.3762 0.128 Uiso 0.25 1 d R U P C -2
H16B H 0.0591 0.3145 0.3527 0.128 Uiso 0.25 1 d R U P C -2
H16C H 0.1260 0.3969 0.2967 0.128 Uiso 0.25 1 d R U P C -2
C16 C 0.185(3) 0.5136(18) 0.374(2) 0.057(6) Uani 0.25 1 d D U P A -1
H16D H 0.1165 0.5386 0.3667 0.086 Uiso 0.25 1 calc R U P A -1
H16E H 0.2545 0.5689 0.4400 0.086 Uiso 0.25 1 calc R U P A -1
H16F H 0.2138 0.5157 0.3148 0.086 Uiso 0.25 1 calc R U P A -1
C17 C 0.199(3) 0.3951(17) -0.303(3) 0.071(5) Uani 0.5 1 d D U P A -1
H17A H 0.1567 0.4116 -0.3619 0.106 Uiso 0.5 1 calc R U P A -1
H17B H 0.1876 0.4367 -0.2394 0.106 Uiso 0.5 1 calc R U P A -1
H17C H 0.2883 0.4243 -0.2910 0.106 Uiso 0.5 1 calc R U P A -1
C18 C 0.393(3) 0.175(3) -0.188(2) 0.122(13) Uani 0.5 1 d D U P A -1
H18A H 0.4707 0.1853 -0.2006 0.182 Uiso 0.5 1 calc R U P A -1
H18B H 0.4125 0.2234 -0.1143 0.182 Uiso 0.5 1 calc R U P A -1
H18C H 0.3448 0.0893 -0.2019 0.182 Uiso 0.5 1 calc R U P A -1
P1A P 0.2076(3) -0.1843(3) 0.2642(2) 0.0555(7) Uani 0.5 1 d . U P A -3
P2A P 0.1756(3) -0.0534(3) -0.3166(2) 0.0552(7) Uani 0.5 1 d D U P A -3
P3A P 0.3889(2) 0.2336(2) 0.3615(2) 0.0426(5) Uani 0.5 1 d . U P A -3
P4A P 0.0673(2) 0.2885(2) -0.22639(18) 0.0384(5) Uani 0.5 1 d . U P A -3
O1A O 0.1184(10) -0.1321(8) 0.2732(7) 0.0565(19) Uani 0.5 1 d . . P A -3
O2A O 0.1884(9) -0.0495(9) 0.1169(7) 0.0465(18) Uani 0.5 1 d . . P A -3
O3A O 0.3184(18) -0.1315(16) 0.3748(17) 0.077(5) Uani 0.5 1 d D U P A -3
O4A O 0.1532(10) -0.3202(8) 0.2433(7) 0.067(2) Uani 0.5 1 d D U P A -3
O5A O 0.0906(7) 0.0067(8) -0.3026(6) 0.0435(15) Uani 0.5 1 d . . P A -3
O6A O 0.0817(18) -0.0993(16) -0.148(2) 0.039(3) Uani 0.5 1 d . . P A -3
O7A O 0.1337(17) -0.1272(12) -0.4376(6) 0.086(3) Uani 0.5 1 d D U P A -3
O8A O 0.3119(7) 0.0397(9) -0.2922(9) 0.076(3) Uani 0.5 1 d D U P A -3
O9A O 0.2820(7) 0.1237(8) 0.3434(7) 0.0502(17) Uani 0.5 1 d . . P A -3
O10A O 0.1764(14) 0.1917(13) 0.1736(13) 0.046(3) Uani 0.5 1 d . . P A -3
O11A O 0.4689(9) 0.3121(9) 0.4798(7) 0.060(2) Uani 0.5 1 d D U P A -3
O12A O 0.4842(11) 0.1927(11) 0.3221(9) 0.069(3) Uani 0.5 1 d . U P A -3
O13A O -0.0302(8) 0.1629(7) -0.2633(6) 0.0458(16) Uani 0.5 1 d . . P A -3
O14A O 0.1395(9) 0.1660(8) -0.0797(8) 0.0387(18) Uani 0.5 1 d . U P A -3
O15A O 0.1236(13) 0.3012(11) -0.3118(11) 0.059(2) Uani 0.5 1 d D U P A -3
O16A O 0.0125(8) 0.3844(7) -0.2202(6) 0.0487(16) Uani 0.5 1 d D U P A -3
N1A N 0.2731(18) -0.1697(16) 0.1785(13) 0.063(4) Uani 0.5 1 d . . P A -3
N2A N 0.185(2) -0.1433(13) -0.2546(15) 0.055(3) Uani 0.5 1 d . U P A -3
N3A N 0.3634(10) 0.3279(9) 0.3094(8) 0.043(2) Uani 0.5 1 d . . P A -3
N4A N 0.1835(10) 0.3390(9) -0.1175(8) 0.0447(19) Uani 0.5 1 d . U P A -3
F1A F 0.4533(9) -0.0787(14) 0.1050(9) 0.101(4) Uani 0.5 1 d . . P A -3
F2A F 0.3405(14) -0.0060(17) 0.0134(16) 0.061(4) Uani 0.5 1 d . . P A -3
F3A F 0.2895(12) -0.3029(10) -0.0254(9) 0.090(3) Uani 0.5 1 d . . P A -3
F4A F 0.3786(10) -0.1833(11) -0.0979(8) 0.083(3) Uani 0.5 1 d . . P A -3
F5A F 0.1436(10) -0.3454(8) -0.2145(7) 0.074(2) Uani 0.5 1 d . . P A -3
F6A F 0.076(2) -0.280(2) -0.0916(19) 0.066(6) Uani 0.5 1 d . . P A -3
F7A F 0.2900(7) 0.4971(5) 0.2681(5) 0.0552(16) Uani 0.5 1 d . . P A -3
F8A F 0.1395(18) 0.360(2) 0.1187(18) 0.049(4) Uani 0.5 1 d . . P A -3
F9A F 0.4704(6) 0.4800(7) 0.1938(6) 0.0603(18) Uani 0.5 1 d . . P A -3
F10A F 0.3347(7) 0.5254(6) 0.1025(6) 0.0605(18) Uani 0.5 1 d . . P A -3
F11A F 0.4234(6) 0.3882(7) -0.0084(6) 0.0587(17) Uani 0.5 1 d . . P A -3
F12A F 0.3623(13) 0.2526(12) 0.0578(11) 0.044(2) Uani 0.5 1 d . . P A -3
C1A C 0.255(2) -0.1030(15) 0.1214(16) 0.046(4) Uani 0.5 1 d . . P A -3
C2A C 0.144(3) -0.1534(18) -0.182(2) 0.042(5) Uani 0.5 1 d . . P A -3
C3A C 0.3351(14) -0.1004(15) 0.0503(12) 0.066(3) Uani 0.5 1 d . U P A -3
C4A C 0.2986(14) -0.2008(14) -0.0562(11) 0.031(3) Uani 0.5 1 d . U P A -3
C5A C 0.1614(14) -0.2463(12) -0.1365(11) 0.058(3) Uani 0.5 1 d . U P A -3
C6A C 0.436(3) -0.145(3) 0.388(3) 0.072(7) Uani 0.5 1 d D U P A -3
H6A1 H 0.4902 -0.1050 0.4628 0.107 Uiso 0.5 1 calc R U P A -3
H6A2 H 0.4185 -0.2306 0.3638 0.107 Uiso 0.5 1 calc R U P A -3
H6A3 H 0.4788 -0.1067 0.3473 0.107 Uiso 0.5 1 calc R U P A -3
C7A C 0.0501(12) -0.4088(17) 0.1458(10) 0.049(4) Uani 0.5 1 d D U P A -3
H7A1 H 0.0287 -0.4901 0.1471 0.074 Uiso 0.5 1 calc R U P A -3
H7A2 H -0.0229 -0.3904 0.1393 0.074 Uiso 0.5 1 calc R U P A -3
H7A3 H 0.0755 -0.4051 0.0857 0.074 Uiso 0.5 1 calc R U P A -3
C8A C 0.072(3) -0.2598(15) -0.473(2) 0.122(6) Uani 0.5 1 d D U P A -3
H8A1 H 0.0497 -0.2963 -0.5488 0.183 Uiso 0.5 1 calc R U P A -3
H8A2 H 0.1282 -0.2885 -0.4366 0.183 Uiso 0.5 1 calc R U P A -3
H8A3 H -0.0046 -0.2829 -0.4561 0.183 Uiso 0.5 1 calc R U P A -3
C9A C 0.366(3) 0.1660(15) -0.218(2) 0.107(8) Uani 0.5 1 d D U P A -3
H9A1 H 0.4516 0.2082 -0.2144 0.161 Uiso 0.5 1 calc R U P A -3
H9A2 H 0.3153 0.2065 -0.2421 0.161 Uiso 0.5 1 calc R U P A -3
H9A3 H 0.3676 0.1674 -0.1481 0.161 Uiso 0.5 1 calc R U P A -3
C10A C 0.2632(19) 0.291(2) 0.226(2) 0.036(4) Uani 0.5 1 d . . P A -3
C11A C 0.2064(19) 0.268(2) -0.066(2) 0.033(3) Uani 0.5 1 d . U P A -3
C12A C 0.2628(9) 0.3945(9) 0.1849(8) 0.044(2) Uani 0.5 1 d . . P A -3
C13A C 0.3567(16) 0.4274(17) 0.1275(16) 0.031(3) Uani 0.5 1 d . . P A -3
C14A C 0.3323(9) 0.3364(10) 0.0261(9) 0.045(2) Uani 0.5 1 d . . P A -3
C15A C 0.408(2) 0.363(3) 0.545(2) 0.067(8) Uani 0.5 1 d D U P A -3
H15D H 0.4673 0.4105 0.6168 0.100 Uiso 0.5 1 calc R U P A -3
H15E H 0.3787 0.4161 0.5160 0.100 Uiso 0.5 1 calc R U P A -3
H15F H 0.3361 0.2978 0.5439 0.100 Uiso 0.5 1 calc R U P A -3
C16A C 0.591(2) 0.276(2) 0.317(2) 0.097(6) Uani 0.5 1 d . U P A -3
H16G H 0.6385 0.2340 0.2904 0.146 Uiso 0.5 1 calc R U P A -3
H16H H 0.5653 0.3147 0.2689 0.146 Uiso 0.5 1 calc R U P A -3
H16I H 0.6439 0.3384 0.3868 0.146 Uiso 0.5 1 calc R U P A -3
C17A C 0.232(3) 0.404(2) -0.302(4) 0.071(5) Uani 0.5 1 d D U P A -3
H17D H 0.2467 0.3878 -0.3684 0.106 Uiso 0.5 1 calc R U P A -3
H17E H 0.2157 0.4766 -0.2862 0.106 Uiso 0.5 1 calc R U P A -3
H17F H 0.3054 0.4170 -0.2454 0.106 Uiso 0.5 1 calc R U P A -3
C18A C -0.056(3) 0.393(4) -0.147(3) 0.118(15) Uani 0.5 1 d D U P A -3
H18D H -0.0864 0.4554 -0.1486 0.177 Uiso 0.5 1 calc R U P A -3
H18E H -0.1264 0.3150 -0.1687 0.177 Uiso 0.5 1 calc R U P A -3
H18F H 0.0009 0.4148 -0.0758 0.177 Uiso 0.5 1 calc R U P A -3
Na1 Na 0.1953(4) 0.0674(4) 0.0212(3) 0.0446(8) Uani 0.5 1 d . . P . .
Na2 Na -0.0168(7) -0.0681(10) 0.4553(9) 0.121(4) Uani 0.5 1 d . . P . .
O1W O 0.0000 0.0000 0.0000 0.0495(12) Uani 1 2 d S . P A .
O2W O -0.1883(9) -0.0738(9) 0.4982(7) 0.126(3) 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -3.1807 10.9079 '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
_geom_angle_publ_flag
O9 Nd1 O1 76.4(3) . . ?
O1A Nd1 O2A 71.8(3) . . ?
O9 Nd1 O2 140.2(4) . . ?
O1 Nd1 O2 72.0(2) . . ?
O9 Nd1 O10 71.5(4) . . ?
O1 Nd1 O10 76.2(4) . . ?
O2 Nd1 O10 78.0(4) . . ?
O1A Nd1 O10A 134.2(4) . . ?
O2A Nd1 O10A 74.3(4) . . ?
O1A Nd1 O9A 71.7(3) . . ?
O2A Nd1 O9A 75.1(3) . . ?
O10A Nd1 O9A 70.5(4) . . ?
O9 Nd1 O1W 119.4(2) . . ?
O1A Nd1 O1W 125.5(2) . . ?
O1 Nd1 O1W 122.53(17) . . ?
O2A Nd1 O1W 64.19(19) . . ?
O2 Nd1 O1W 62.88(17) . . ?
O10 Nd1 O1W 61.5(4) . . ?
O10A Nd1 O1W 60.5(4) . . ?
O9A Nd1 O1W 122.17(19) . . ?
O9 Nd1A O1 89.7(4) . . ?
O1A Nd1A O9A 82.2(4) . . ?
O9 Nd1A O10 69.1(4) . . ?
O1 Nd1A O10 73.3(4) . . ?
O1A Nd1A O2A 67.6(3) . . ?
O9A Nd1A O2A 72.0(4) . . ?
O1A Nd1A O10A 128.2(4) . . ?
O9A Nd1A O10A 68.4(4) . . ?
O2A Nd1A O10A 63.2(3) . . ?
O9 Nd1A O2 133.5(4) . . ?
O1 Nd1A O2 67.5(3) . . ?
O10 Nd1A O2 65.8(3) . . ?
O1 P1 O4 111.6(5) . . ?
O1 P1 O3 108.2(6) . . ?
O4 P1 O3 102.6(6) . . ?
O1 P1 N1 118.9(5) . . ?
O4 P1 N1 106.3(6) . . ?
O3 P1 N1 108.0(8) . . ?
O5 P2 O8 114.3(7) . . ?
O5 P2 O7 106.8(6) . . ?
O8 P2 O7 100.1(7) . . ?
O5 P2 N2 121.5(9) . . ?
O8 P2 N2 104.7(7) . . ?
O7 P2 N2 107.2(10) . . ?
O9 P3 O11 120.6(7) . . ?
O9 P3 O12 99.4(9) . . ?
O11 P3 O12 102.2(8) . . ?
O9 P3 N3 119.3(5) . . ?
O11 P3 N3 104.8(7) . . ?
O12 P3 N3 108.4(11) . . ?
O13 P4 O16 115.9(6) . . ?
O13 P4 O15 106.5(6) . . ?
O16 P4 O15 101.5(7) . . ?
O13 P4 N4 119.4(5) . . ?
O16 P4 N4 105.3(6) . . ?
O15 P4 N4 106.5(7) . . ?
P1 O1 Nd1A 144.8(5) . . ?
P1 O1 Nd1 135.0(4) . . ?
Nd1A O1 Nd1 15.8(2) . . ?
C1 O2 Nd1 138.5(9) . . ?
C1 O2 Nd1A 127.7(9) . . ?
Nd1 O2 Nd1A 11.39(13) . . ?
C6 O3 P1 126(2) . . ?
C7 O4 P1 119.7(7) . . ?
C8 O7 P2 120.9(9) . . ?
C9 O8 P2 117.4(10) . . ?
P3 O9 Nd1A 146.6(7) . . ?
P3 O9 Nd1 137.0(6) . . ?
Nd1A O9 Nd1 15.6(2) . . ?
C10 O10 Nd1 138.4(15) . . ?
C10 O10 Nd1A 126.1(15) . . ?
Nd1 O10 Nd1A 12.76(15) . . ?
C15 O11 P3 111(2) . . ?
C16 O12 P3 121.9(16) . . ?
C17 O15 P4 123(2) . . ?
C18 O16 P4 116.1(12) . . ?
C1 N1 P1 125.0(12) . . ?
C2 N2 P2 119(2) . . ?
C10 N3 P3 124.2(12) . . ?
C11 N4 P4 127.0(14) . . ?
N1 C1 O2 128.9(15) . . ?
N1 C1 C3 116.6(15) . . ?
O2 C1 C3 114.4(14) . . ?
O6 C2 N2 135(3) . . ?
O6 C2 C5 112(2) . . ?
N2 C2 C5 112(2) . . ?
C4 C3 F2 107(2) . . ?
C4 C3 F1 103.1(19) . . ?
F2 C3 F1 107.5(11) . . ?
C4 C3 C1 119(2) . . ?
F2 C3 C1 111.5(14) . . ?
F1 C3 C1 108.1(10) . . ?
C3 C4 F3 120(3) . . ?
C3 C4 F4 118(4) . . ?
F3 C4 F4 100(3) . . ?
C3 C4 C5 120(3) . . ?
F3 C4 C5 97(3) . . ?
F4 C4 C5 97(2) . . ?
F5 C5 F6 108.5(12) . . ?
F5 C5 C2 108.3(12) . . ?
F6 C5 C2 109.9(16) . . ?
F5 C5 C4 111.8(16) . . ?
F6 C5 C4 102(2) . . ?
C2 C5 C4 116.4(18) . . ?
O3 C6 H6A 109.5 . . ?
O3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
O3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O4 C7 H7A 109.5 . . ?
O4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O7 C8 H8A 109.5 . . ?
O7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O8 C9 H9A 109.5 . . ?
O8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O10 C10 N3 127(2) . . ?
O10 C10 C12 116.3(18) . . ?
N3 C10 C12 116.3(17) . . ?
N4 C11 O14 130(2) . . ?
N4 C11 C14 115(2) . . ?
O14 C11 C14 115(2) . . ?
F7 C12 F8 107.8(11) . . ?
F7 C12 C10 109.0(11) . . ?
F8 C12 C10 110.0(12) . . ?
F7 C12 C13 109.2(15) . . ?
F8 C12 C13 103.7(16) . . ?
C10 C12 C13 116.8(19) . . ?
F10 C13 C14 121(3) . . ?
F10 C13 F9 108(3) . . ?
C14 C13 F9 117(4) . . ?
F10 C13 C12 98(3) . . ?
C14 C13 C12 113(3) . . ?
F9 C13 C12 94.9(19) . . ?
C13 C14 F11 100.8(19) . . ?
C13 C14 F12 106(2) . . ?
F11 C14 F12 107.9(15) . . ?
C13 C14 C11 122(2) . . ?
F11 C14 C11 108.3(12) . . ?
F12 C14 C11 110.4(17) . . ?
O11 C15 H15A 109.5 . . ?
O11 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O11 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O11B C15B H15A 107.6 . . ?
O11B C15B H15B 110.6 . . ?
H15A C15B H15B 109.5 . . ?
O11B C15B H15C 110.1 . . ?
H15A C15B H15C 109.5 . . ?
H15B C15B H15C 109.5 . . ?
O12B C16B H16A 110.0 . . ?
O12B C16B H16B 108.7 . . ?
H16A C16B H16B 109.5 . . ?
O12B C16B H16C 109.8 . . ?
H16A C16B H16C 109.5 . . ?
H16B C16B H16C 109.5 . . ?
O12 C16 H16D 109.5 . . ?
O12 C16 H16E 109.5 . . ?
H16D C16 H16E 109.5 . . ?
O12 C16 H16F 109.5 . . ?
H16D C16 H16F 109.5 . . ?
H16E C16 H16F 109.5 . . ?
O15 C17 H17A 109.5 . . ?
O15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O16 C18 H18A 109.5 . . ?
O16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O1A P1A O4A 113.0(6) . . ?
O1A P1A O3A 110.1(9) . . ?
O4A P1A O3A 101.3(7) . . ?
O1A P1A N1A 118.9(6) . . ?
O4A P1A N1A 105.4(8) . . ?
O3A P1A N1A 106.4(10) . . ?
O5A P2A O8A 112.3(5) . . ?
O5A P2A O7A 108.0(8) . . ?
O8A P2A O7A 101.1(8) . . ?
O5A P2A N2A 117.6(9) . . ?
O8A P2A N2A 108.3(9) . . ?
O7A P2A N2A 108.2(8) . . ?
O9A P3A O11A 114.1(5) . . ?
O9A P3A O12A 107.0(6) . . ?
O11A P3A O12A 101.7(6) . . ?
O9A P3A N3A 118.5(5) . . ?
O11A P3A N3A 105.3(5) . . ?
O12A P3A N3A 109.0(6) . . ?
O13A P4A O15A 109.2(6) . . ?
O13A P4A O16A 113.1(5) . . ?
O15A P4A O16A 100.4(5) . . ?
O13A P4A N4A 118.5(5) . . ?
O15A P4A N4A 106.7(7) . . ?
O16A P4A N4A 107.3(5) . . ?
P1A O1A Nd1A 143.7(6) . . ?
P1A O1A Nd1 135.5(5) . . ?
Nd1A O1A Nd1 16.0(2) . . ?
C1A O2A Na1 120.8(11) . . ?
C1A O2A Nd1 139.3(11) . . ?
Na1 O2A Nd1 98.7(3) . . ?
C1A O2A Nd1A 128.5(11) . . ?
Na1 O2A Nd1A 107.5(4) . . ?
Nd1 O2A Nd1A 11.98(13) . . ?
C6A O3A P1A 124(2) . . ?
C7A O4A P1A 121.6(11) . . ?
C2A O6A Na1 116.0(18) . . ?
C8A O7A P2A 116.4(13) . . ?
C9A O8A P2A 122.8(17) . . ?
P3A O9A Nd1A 143.6(5) . . ?
P3A O9A Nd1 133.8(5) . . ?
Nd1A O9A Nd1 14.94(19) . . ?
C10A O10A Na1 117.0(14) . . ?
C10A O10A Nd1 135.4(16) . . ?
Na1 O10A Nd1 92.6(5) . . ?
C10A O10A Nd1A 122.8(16) . . ?
Na1 O10A Nd1A 102.7(5) . . ?
Nd1 O10A Nd1A 12.67(16) . . ?
C15A O11A P3A 117.3(13) . . ?
C16A O12A P3A 121.5(11) . . ?
C11A O14A Na1 122.5(13) . . ?
C17A O15A P4A 126.8(19) . . ?
C18A O16A P4A 115.3(16) . . ?
C1A N1A P1A 121.7(14) . . ?
C2A N2A P2A 127(2) . . ?
C10A N3A P3A 120.6(13) . . ?
C11A N4A P4A 123.1(13) . . ?
C3A F2A Na1 117.6(10) . . ?
C14A F12A Na1 117.1(9) . . ?
O2A C1A N1A 131.2(19) . . ?
O2A C1A C3A 118.9(15) . . ?
N1A C1A C3A 109.9(17) . . ?
N2A C2A O6A 126(2) . . ?
N2A C2A C5A 118(2) . . ?
O6A C2A C5A 116(2) . . ?
F1A C3A F2A 108.1(13) . . ?
F1A C3A C4A 104.8(13) . . ?
F2A C3A C4A 97.6(13) . . ?
F1A C3A C1A 111.2(13) . . ?
F2A C3A C1A 108.5(14) . . ?
C4A C3A C1A 125.1(14) . . ?
F4A C4A F3A 108.5(11) . . ?
F4A C4A C3A 114.7(14) . . ?
F3A C4A C3A 101.2(12) . . ?
F4A C4A C5A 112.9(13) . . ?
F3A C4A C5A 102.0(12) . . ?
C3A C4A C5A 115.7(12) . . ?
F5A C5A F6A 108.0(15) . . ?
F5A C5A C2A 109.2(14) . . ?
F6A C5A C2A 110.3(17) . . ?
F5A C5A C4A 105.1(10) . . ?
F6A C5A C4A 110.8(14) . . ?
C2A C5A C4A 113.2(15) . . ?
O3A C6A H6A1 109.5 . . ?
O3A C6A H6A2 109.5 . . ?
H6A1 C6A H6A2 109.5 . . ?
O3A C6A H6A3 109.5 . . ?
H6A1 C6A H6A3 109.5 . . ?
H6A2 C6A H6A3 109.5 . . ?
O4A C7A H7A1 109.5 . . ?
O4A C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
O4A C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
O7A C8A H8A1 109.5 . . ?
O7A C8A H8A2 109.5 . . ?
H8A1 C8A H8A2 109.5 . . ?
O7A C8A H8A3 109.5 . . ?
H8A1 C8A H8A3 109.5 . . ?
H8A2 C8A H8A3 109.5 . . ?
O8A C9A H9A1 109.5 . . ?
O8A C9A H9A2 109.5 . . ?
H9A1 C9A H9A2 109.5 . . ?
O8A C9A H9A3 109.5 . . ?
H9A1 C9A H9A3 109.5 . . ?
H9A2 C9A H9A3 109.5 . . ?
O10A C10A N3A 132(2) . . ?
O10A C10A C12A 115.8(19) . . ?
N3A C10A C12A 111.7(17) . . ?
O14A C11A N4A 129(2) . . ?
O14A C11A C14A 119.7(19) . . ?
N4A C11A C14A 111.3(18) . . ?
F7A C12A F8A 105.2(12) . . ?
F7A C12A C13A 108.7(10) . . ?
F8A C12A C13A 110.9(12) . . ?
F7A C12A C10A 109.3(12) . . ?
F8A C12A C10A 107.9(14) . . ?
C13A C12A C10A 114.5(13) . . ?
F9A C13A F10A 103.9(11) . . ?
F9A C13A C14A 116.4(18) . . ?
F10A C13A C14A 105.6(14) . . ?
F9A C13A C12A 110.4(15) . . ?
F10A C13A C12A 100.4(16) . . ?
C14A C13A C12A 117.8(10) . . ?
F11A C14A F12A 105.2(10) . . ?
F11A C14A C13A 106.1(10) . . ?
F12A C14A C13A 101.4(13) . . ?
F11A C14A C11A 109.5(12) . . ?
F12A C14A C11A 107.6(12) . . ?
C13A C14A C11A 125.2(13) . . ?
O11A C15A H15D 109.5 . . ?
O11A C15A H15E 109.5 . . ?
H15D C15A H15E 109.5 . . ?
O11A C15A H15F 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
O12A C16A H16G 109.5 . . ?
O12A C16A H16H 109.5 . . ?
H16G C16A H16H 109.5 . . ?
O12A C16A H16I 109.5 . . ?
H16G C16A H16I 109.5 . . ?
H16H C16A H16I 109.5 . . ?
O15A C17A H17D 109.5 . . ?
O15A C17A H17E 109.5 . . ?
H17D C17A H17E 109.5 . . ?
O15A C17A H17F 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
O16A C18A H18D 109.5 . . ?
O16A C18A H18E 109.5 . . ?
H18D C18A H18E 109.5 . . ?
O16A C18A H18F 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
O1W Na1 O2A 80.2(3) . . ?
O1W Na1 O14A 82.0(3) . . ?
O2A Na1 O14A 162.2(4) . . ?
O1W Na1 F2A 138.3(4) . . ?
O2A Na1 F2A 71.4(5) . . ?
O14A Na1 F2A 124.0(6) . . ?
O1W Na1 F12A 138.5(4) . . ?
O2A Na1 F12A 126.5(4) . . ?
O14A Na1 F12A 68.1(4) . . ?
F2A Na1 F12A 83.1(6) . . ?
O1W Na1 O10A 72.5(4) . . ?
O2A Na1 O10A 80.0(4) . . ?
O14A Na1 O10A 93.8(5) . . ?
F2A Na1 O10A 129.0(6) . . ?
F12A Na1 O10A 81.2(6) . . ?
O1W Na1 O6A 72.6(5) . . ?
O2A Na1 O6A 95.4(6) . . ?
O14A Na1 O6A 80.1(6) . . ?
F2A Na1 O6A 80.2(8) . . ?
F12A Na1 O6A 126.1(6) . . ?
O10A Na1 O6A 145.1(7) . . ?
O1W Na1 Nd1 52.96(8) . 2 ?
O2A Na1 Nd1 121.9(3) . 2 ?
O14A Na1 Nd1 44.8(2) . 2 ?
F2A Na1 Nd1 120.5(5) . 2 ?
F12A Na1 Nd1 111.5(3) . 2 ?
O10A Na1 Nd1 110.4(4) . 2 ?
O6A Na1 Nd1 43.7(6) . 2 ?
O1W Na1 Nd1A 58.74(12) . 2 ?
O2A Na1 Nd1A 125.1(3) . 2 ?
O14A Na1 Nd1A 43.1(3) . 2 ?
F2A Na1 Nd1A 115.8(5) . 2 ?
F12A Na1 Nd1A 108.2(3) . 2 ?
O10A Na1 Nd1A 115.2(4) . 2 ?
O6A Na1 Nd1A 41.3(6) . 2 ?
Nd1 Na1 Nd1A 5.90(8) 2 2 ?
O2W Na2 O2W 137.2(6) . 2_556 ?
O2W Na2 Nd1A 48.0(3) . 2_556 ?
O2W Na2 Nd1A 104.6(4) 2_556 2_556 ?
Na1 O1W Na1 180.0(4) 2 . ?
Na1 O1W Nd1 90.13(10) 2 2 ?
Na1 O1W Nd1 89.87(10) . 2 ?
Na1 O1W Nd1 89.87(10) 2 . ?
Na1 O1W Nd1 90.13(10) . . ?
Nd1 O1W Nd1 180.0 2 . ?
Na2 O2W Na2 42.8(6) . 2_556 ?
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
Nd1 O9 2.392(8) . ?
Nd1 O1A 2.440(8) . ?
Nd1 O1 2.440(6) . ?
Nd1 O2A 2.456(9) . ?
Nd1 O2 2.480(7) . ?
Nd1 O10 2.487(15) . ?
Nd1 O10A 2.516(17) . ?
Nd1 O9A 2.534(8) . ?
Nd1 O1W 2.8436(3) . ?
Nd1A O9 2.058(10) . ?
Nd1A O1 2.175(8) . ?
Nd1A O1A 2.198(10) . ?
Nd1A O9A 2.231(9) . ?
Nd1A O10 2.840(17) . ?
Nd1A O2A 2.865(11) . ?
Nd1A O10A 2.866(18) . ?
Nd1A O2 2.915(10) . ?
P1 O1 1.466(8) . ?
P1 O4 1.566(8) . ?
P1 O3 1.572(16) . ?
P1 N1 1.623(12) . ?
P2 O5 1.462(11) . ?
P2 O8 1.570(6) . ?
P2 O7 1.577(6) . ?
P2 N2 1.61(2) . ?
P3 O9 1.459(10) . ?
P3 O11 1.567(8) . ?
P3 O12 1.571(8) . ?
P3 N3 1.612(13) . ?
P4 O13 1.473(10) . ?
P4 O16 1.545(12) . ?
P4 O15 1.624(15) . ?
P4 N4 1.632(11) . ?
O2 C1 1.28(2) . ?
O3 C6 1.469(10) . ?
O4 C7 1.463(9) . ?
O6 C2 1.22(4) . ?
O7 C8 1.481(10) . ?
O8 C9 1.469(10) . ?
O10 C10 1.29(3) . ?
O11 C15 1.471(8) . ?
O12 C16 1.458(10) . ?
O11B C15B 1.470(11) . ?
O12B C16B 1.457(11) . ?
O14 C11 1.32(3) . ?
O15 C17 1.461(10) . ?
O16 C18 1.474(10) . ?
N1 C1 1.28(2) . ?
N2 C2 1.34(3) . ?
N3 C10 1.30(3) . ?
N4 C11 1.24(3) . ?
F1 C3 1.358(12) . ?
F2 C3 1.35(2) . ?
F3 C4 1.41(5) . ?
F4 C4 1.45(5) . ?
F5 C5 1.361(14) . ?
F6 C5 1.378(19) . ?
F7 C12 1.351(12) . ?
F8 C12 1.365(18) . ?
F9 C13 1.39(4) . ?
F10 C13 1.30(5) . ?
F11 C14 1.345(13) . ?
F12 C14 1.38(2) . ?
C1 C3 1.539(18) . ?
C2 C5 1.56(3) . ?
C3 C4 1.30(4) . ?
C4 C5 1.72(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C12 1.52(3) . ?
C11 C14 1.53(3) . ?
C12 C13 1.79(4) . ?
C13 C14 1.34(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15B H15A 0.9800 . ?
C15B H15B 0.9800 . ?
C15B H15C 0.9800 . ?
C16B H16A 0.9800 . ?
C16B H16B 0.9800 . ?
C16B H16C 0.9800 . ?
C16 H16D 0.9800 . ?
C16 H16E 0.9800 . ?
C16 H16F 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
P1A O1A 1.459(10) . ?
P1A O4A 1.536(9) . ?
P1A O3A 1.59(2) . ?
P1A N1A 1.622(17) . ?
P2A O5A 1.493(9) . ?
P2A O8A 1.570(6) . ?
P2A O7A 1.575(6) . ?
P2A N2A 1.624(18) . ?
P3A O9A 1.463(9) . ?
P3A O11A 1.558(9) . ?
P3A O12A 1.576(12) . ?
P3A N3A 1.630(11) . ?
P4A O13A 1.488(8) . ?
P4A O15A 1.545(15) . ?
P4A O16A 1.560(8) . ?
P4A N4A 1.614(10) . ?
O2A C1A 1.21(2) . ?
O2A Na1 2.248(9) . ?
O3A C6A 1.470(10) . ?
O4A C7A 1.465(9) . ?
O6A C2A 1.28(4) . ?
O6A Na1 2.42(2) . ?
O7A C8A 1.472(10) . ?
O8A C9A 1.473(10) . ?
O10A C10A 1.22(3) . ?
O10A Na1 2.423(16) . ?
O11A C15A 1.468(10) . ?
O12A C16A 1.41(2) . ?
O14A C11A 1.20(3) . ?
O14A Na1 2.255(10) . ?
O15A C17A 1.457(10) . ?
O16A C18A 1.477(10) . ?
N1A C1A 1.35(2) . ?
N2A C2A 1.26(4) . ?
N3A C10A 1.31(3) . ?
N4A C11A 1.36(3) . ?
F1A C3A 1.352(16) . ?
F2A C3A 1.41(2) . ?
F2A Na1 2.263(18) . ?
F3A C4A 1.447(19) . ?
F4A C4A 1.24(2) . ?
F5A C5A 1.345(15) . ?
F6A C5A 1.36(3) . ?
F7A C12A 1.379(12) . ?
F8A C12A 1.41(2) . ?
F9A C13A 1.291(18) . ?
F10A C13A 1.46(2) . ?
F11A C14A 1.359(12) . ?
F12A C14A 1.372(15) . ?
F12A Na1 2.361(13) . ?
C1A C3A 1.56(3) . ?
C2A C5A 1.53(2) . ?
C3A C4A 1.54(2) . ?
C4A C5A 1.582(19) . ?
C6A H6A1 0.9800 . ?
C6A H6A2 0.9800 . ?
C6A H6A3 0.9800 . ?
C7A H7A1 0.9800 . ?
C7A H7A2 0.9800 . ?
C7A H7A3 0.9800 . ?
C8A H8A1 0.9800 . ?
C8A H8A2 0.9800 . ?
C8A H8A3 0.9800 . ?
C9A H9A1 0.9800 . ?
C9A H9A2 0.9800 . ?
C9A H9A3 0.9800 . ?
C10A C12A 1.57(3) . ?
C11A C14A 1.53(3) . ?
C12A C13A 1.57(2) . ?
C13A C14A 1.47(3) . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?
C16A H16G 0.9800 . ?
C16A H16H 0.9800 . ?
C16A H16I 0.9800 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
Na1 O1W 2.153(4) . ?
Na1 Nd1 3.562(4) 2 ?
Na1 Nd1A 4.126(8) 2 ?
Na2 O2W 2.295(14) . ?
Na2 O2W 2.343(12) 2_556 ?
Na2 Nd1A 4.139(14) 2_556 ?
O1W Na1 2.153(4) 2 ?
O1W Nd1 2.8436(3) 2 ?
O2W Na2 2.343(12) 2_556 ?
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
O4 P1 O1 Nd1A 156.9(8) . . . . ?
O3 P1 O1 Nd1A -91.0(10) . . . . ?
N1 P1 O1 Nd1A 32.6(12) . . . . ?
O4 P1 O1 Nd1 137.5(6) . . . . ?
O3 P1 O1 Nd1 -110.4(8) . . . . ?
N1 P1 O1 Nd1 13.2(10) . . . . ?
O1 P1 O3 C6 173(2) . . . . ?
O4 P1 O3 C6 -69(2) . . . . ?
N1 P1 O3 C6 43(2) . . . . ?
O1 P1 O4 C7 -60.9(12) . . . . ?
O3 P1 O4 C7 -176.5(12) . . . . ?
N1 P1 O4 C7 70.2(12) . . . . ?
O5 P2 O7 C8 175.4(12) . . . . ?
O8 P2 O7 C8 -65.3(14) . . . . ?
N2 P2 O7 C8 43.6(15) . . . . ?
O5 P2 O8 C9 -77.8(16) . . . . ?
O7 P2 O8 C9 168.5(15) . . . . ?
N2 P2 O8 C9 57.6(18) . . . . ?
O11 P3 O9 Nd1A -114.1(12) . . . . ?
O12 P3 O9 Nd1A 135.6(15) . . . . ?
N3 P3 O9 Nd1A 18.1(16) . . . . ?
O11 P3 O9 Nd1 -134.1(9) . . . . ?
O12 P3 O9 Nd1 115.5(13) . . . . ?
N3 P3 O9 Nd1 -1.9(13) . . . . ?
O9 P3 O11 C15 79(3) . . . . ?
O12 P3 O11 C15 -172(3) . . . . ?
N3 P3 O11 C15 -59(3) . . . . ?
O9 P3 O12 C16 -167(2) . . . . ?
O11 P3 O12 C16 69(2) . . . . ?
N3 P3 O12 C16 -41(2) . . . . ?
O13 P4 O15 C17 164.1(17) . . . . ?
O16 P4 O15 C17 -74.2(18) . . . . ?
N4 P4 O15 C17 35.7(19) . . . . ?
O13 P4 O16 C18 -69.6(18) . . . . ?
O15 P4 O16 C18 175.4(18) . . . . ?
N4 P4 O16 C18 64.6(18) . . . . ?
O1 P1 N1 C1 -2.4(17) . . . . ?
O4 P1 N1 C1 -129.2(14) . . . . ?
O3 P1 N1 C1 121.3(15) . . . . ?
O5 P2 N2 C2 -3(2) . . . . ?
O8 P2 N2 C2 -134.3(16) . . . . ?
O7 P2 N2 C2 120.0(17) . . . . ?
O9 P3 N3 C10 10(2) . . . . ?
O11 P3 N3 C10 148.5(17) . . . . ?
O12 P3 N3 C10 -102.9(19) . . . . ?
O13 P4 N4 C11 -2.5(17) . . . . ?
O16 P4 N4 C11 -134.9(15) . . . . ?
O15 P4 N4 C11 117.9(15) . . . . ?
P1 N1 C1 O2 0(3) . . . . ?
P1 N1 C1 C3 -177.9(10) . . . . ?
Nd1 O2 C1 N1 -8(3) . . . . ?
Nd1A O2 C1 N1 -13(2) . . . . ?
Nd1 O2 C1 C3 169.8(9) . . . . ?
Nd1A O2 C1 C3 164.8(8) . . . . ?
P2 N2 C2 O6 0(4) . . . . ?
P2 N2 C2 C5 179.3(12) . . . . ?
N1 C1 C3 C4 -71(3) . . . . ?
O2 C1 C3 C4 111(2) . . . . ?
N1 C1 C3 F2 163.8(15) . . . . ?
O2 C1 C3 F2 -14.1(18) . . . . ?
N1 C1 C3 F1 45.8(16) . . . . ?
O2 C1 C3 F1 -132.1(12) . . . . ?
F2 C3 C4 F3 -175(3) . . . . ?
F1 C3 C4 F3 -62(4) . . . . ?
C1 C3 C4 F3 57(4) . . . . ?
F2 C3 C4 F4 -53(3) . . . . ?
F1 C3 C4 F4 60(3) . . . . ?
C1 C3 C4 F4 180(2) . . . . ?
F2 C3 C4 C5 64(4) . . . . ?
F1 C3 C4 C5 177(3) . . . . ?
C1 C3 C4 C5 -63(4) . . . . ?
O6 C2 C5 F5 -134.9(17) . . . . ?
N2 C2 C5 F5 45.8(18) . . . . ?
O6 C2 C5 F6 -17(2) . . . . ?
N2 C2 C5 F6 164.2(16) . . . . ?
O6 C2 C5 C4 98(2) . . . . ?
N2 C2 C5 C4 -81(2) . . . . ?
C3 C4 C5 F5 176(3) . . . . ?
F3 C4 C5 F5 45(3) . . . . ?
F4 C4 C5 F5 -56(3) . . . . ?
C3 C4 C5 F6 61(4) . . . . ?
F3 C4 C5 F6 -70(2) . . . . ?
F4 C4 C5 F6 -171.8(19) . . . . ?
C3 C4 C5 C2 -59(4) . . . . ?
F3 C4 C5 C2 170.2(19) . . . . ?
F4 C4 C5 C2 69(3) . . . . ?
Nd1 O10 C10 N3 -16(3) . . . . ?
Nd1A O10 C10 N3 -21(3) . . . . ?
Nd1 O10 C10 C12 165.5(10) . . . . ?
Nd1A O10 C10 C12 161.2(11) . . . . ?
P3 N3 C10 O10 -2(3) . . . . ?
P3 N3 C10 C12 176.7(12) . . . . ?
P4 N4 C11 O14 6(3) . . . . ?
P4 N4 C11 C14 -179.6(10) . . . . ?
O10 C10 C12 F7 -132.0(16) . . . . ?
N3 C10 C12 F7 50(2) . . . . ?
O10 C10 C12 F8 -14(2) . . . . ?
N3 C10 C12 F8 167.6(16) . . . . ?
O10 C10 C12 C13 104(2) . . . . ?
N3 C10 C12 C13 -75(2) . . . . ?
F7 C12 C13 F10 52(2) . . . . ?
F8 C12 C13 F10 -63(2) . . . . ?
C10 C12 C13 F10 176.2(17) . . . . ?
F7 C12 C13 C14 -179(3) . . . . ?
F8 C12 C13 C14 66(3) . . . . ?
C10 C12 C13 C14 -55(4) . . . . ?
F7 C12 C13 F9 -56(3) . . . . ?
F8 C12 C13 F9 -171.1(19) . . . . ?
C10 C12 C13 F9 68(3) . . . . ?
F10 C13 C14 F11 -72(4) . . . . ?
F9 C13 C14 F11 63(3) . . . . ?
C12 C13 C14 F11 172(2) . . . . ?
F10 C13 C14 F12 176(3) . . . . ?
F9 C13 C14 F12 -49(3) . . . . ?
C12 C13 C14 F12 60(3) . . . . ?
F10 C13 C14 C11 48(4) . . . . ?
F9 C13 C14 C11 -177(2) . . . . ?
C12 C13 C14 C11 -68(3) . . . . ?
N4 C11 C14 C13 -65(3) . . . . ?
O14 C11 C14 C13 110(2) . . . . ?
N4 C11 C14 F11 51.5(17) . . . . ?
O14 C11 C14 F11 -133.5(14) . . . . ?
N4 C11 C14 F12 169.4(17) . . . . ?
O14 C11 C14 F12 -16(2) . . . . ?
O4A P1A O1A Nd1A -159.2(9) . . . . ?
O3A P1A O1A Nd1A 88.2(12) . . . . ?
N1A P1A O1A Nd1A -34.8(15) . . . . ?
O4A P1A O1A Nd1 -137.8(7) . . . . ?
O3A P1A O1A Nd1 109.6(10) . . . . ?
N1A P1A O1A Nd1 -13.4(13) . . . . ?
O1A P1A O3A C6A -166(2) . . . . ?
O4A P1A O3A C6A 74(2) . . . . ?
N1A P1A O3A C6A -36(2) . . . . ?
O1A P1A O4A C7A 65.0(12) . . . . ?
O3A P1A O4A C7A -177.2(13) . . . . ?
N1A P1A O4A C7A -66.5(13) . . . . ?
O5A P2A O7A C8A -107.9(19) . . . . ?
O8A P2A O7A C8A 134.1(19) . . . . ?
N2A P2A O7A C8A 20(2) . . . . ?
O5A P2A O8A C9A 28.0(17) . . . . ?
O7A P2A O8A C9A 142.9(17) . . . . ?
N2A P2A O8A C9A -103.5(18) . . . . ?
O11A P3A O9A Nd1A 125.4(10) . . . . ?
O12A P3A O9A Nd1A -122.9(10) . . . . ?
N3A P3A O9A Nd1A 0.7(13) . . . . ?
O11A P3A O9A Nd1 142.6(7) . . . . ?
O12A P3A O9A Nd1 -105.7(8) . . . . ?
N3A P3A O9A Nd1 17.8(10) . . . . ?
O9A P3A O11A C15A -63.0(18) . . . . ?
O12A P3A O11A C15A -177.9(18) . . . . ?
N3A P3A O11A C15A 68.5(18) . . . . ?
O9A P3A O12A C16A 172.3(14) . . . . ?
O11A P3A O12A C16A -67.7(15) . . . . ?
N3A P3A O12A C16A 43.1(16) . . . . ?
O13A P4A O15A C17A -172(2) . . . . ?
O16A P4A O15A C17A 69(2) . . . . ?
N4A P4A O15A C17A -43(2) . . . . ?
O13A P4A O16A C18A 61.1(19) . . . . ?
O15A P4A O16A C18A 177.3(19) . . . . ?
N4A P4A O16A C18A -71.4(19) . . . . ?
O1A P1A N1A C1A 5(2) . . . . ?
O4A P1A N1A C1A 133.2(17) . . . . ?
O3A P1A N1A C1A -119.7(18) . . . . ?
O5A P2A N2A C2A -13(2) . . . . ?
O8A P2A N2A C2A 116(2) . . . . ?
O7A P2A N2A C2A -135(2) . . . . ?
O9A P3A N3A C10A -23.9(17) . . . . ?
O11A P3A N3A C10A -152.8(14) . . . . ?
O12A P3A N3A C10A 98.7(15) . . . . ?
O13A P4A N4A C11A 9.8(16) . . . . ?
O15A P4A N4A C11A -113.8(14) . . . . ?
O16A P4A N4A C11A 139.3(14) . . . . ?
Na1 O2A C1A N1A 174.5(18) . . . . ?
Nd1 O2A C1A N1A 10(3) . . . . ?
Nd1A O2A C1A N1A 18(3) . . . . ?
Na1 O2A C1A C3A -6(2) . . . . ?
Nd1 O2A C1A C3A -170.4(10) . . . . ?
Nd1A O2A C1A C3A -163.2(10) . . . . ?
P1A N1A C1A O2A -4(3) . . . . ?
P1A N1A C1A C3A 177.0(13) . . . . ?
P2A N2A C2A O6A 4(4) . . . . ?
P2A N2A C2A C5A 179.0(15) . . . . ?
Na1 O6A C2A N2A -105(3) . . . . ?
Na1 O6A C2A C5A 80(2) . . . . ?
Na1 F2A C3A F1A -139.0(12) . . . . ?
Na1 F2A C3A C4A 112.7(13) . . . . ?
Na1 F2A C3A C1A -18.3(19) . . . . ?
O2A C1A C3A F1A 134.9(17) . . . . ?
N1A C1A C3A F1A -46(2) . . . . ?
O2A C1A C3A F2A 16(2) . . . . ?
N1A C1A C3A F2A -164.6(16) . . . . ?
O2A C1A C3A C4A -97.8(19) . . . . ?
N1A C1A C3A C4A 82(2) . . . . ?
F1A C3A C4A F4A -46.9(16) . . . . ?
F2A C3A C4A F4A 64.2(15) . . . . ?
C1A C3A C4A F4A -176.9(14) . . . . ?
F1A C3A C4A F3A 69.6(13) . . . . ?
F2A C3A C4A F3A -179.3(12) . . . . ?
C1A C3A C4A F3A -60.4(17) . . . . ?
F1A C3A C4A C5A 178.9(13) . . . . ?
F2A C3A C4A C5A -70.0(16) . . . . ?
C1A C3A C4A C5A 49(2) . . . . ?
N2A C2A C5A F5A -38(3) . . . . ?
O6A C2A C5A F5A 137(2) . . . . ?
N2A C2A C5A F6A -157(2) . . . . ?
O6A C2A C5A F6A 19(3) . . . . ?
N2A C2A C5A C4A 78(2) . . . . ?
O6A C2A C5A C4A -106(2) . . . . ?
F4A C4A C5A F5A 55.1(15) . . . . ?
F3A C4A C5A F5A -61.1(13) . . . . ?
C3A C4A C5A F5A -169.9(12) . . . . ?
F4A C4A C5A F6A 171.4(16) . . . . ?
F3A C4A C5A F6A 55.3(17) . . . . ?
C3A C4A C5A F6A -54(2) . . . . ?
F4A C4A C5A C2A -64.0(19) . . . . ?
F3A C4A C5A C2A 179.8(15) . . . . ?
C3A C4A C5A C2A 71(2) . . . . ?
Na1 O10A C10A N3A -93(3) . . . . ?
Nd1 O10A C10A N3A 33(3) . . . . ?
Nd1A O10A C10A N3A 35(3) . . . . ?
Na1 O10A C10A C12A 83.0(14) . . . . ?
Nd1 O10A C10A C12A -151.0(12) . . . . ?
Nd1A O10A C10A C12A -148.6(11) . . . . ?
P3A N3A C10A O10A 0(3) . . . . ?
P3A N3A C10A C12A -176.0(10) . . . . ?
Na1 O14A C11A N4A -177.5(16) . . . . ?
Na1 O14A C11A C14A -3(2) . . . . ?
P4A N4A C11A O14A -13(3) . . . . ?
P4A N4A C11A C14A 172.0(10) . . . . ?
O10A C10A C12A F7A 135.0(16) . . . . ?
N3A C10A C12A F7A -48.2(17) . . . . ?
O10A C10A C12A F8A 21(2) . . . . ?
N3A C10A C12A F8A -162.1(15) . . . . ?
O10A C10A C12A C13A -102.9(17) . . . . ?
N3A C10A C12A C13A 73.9(19) . . . . ?
F7A C12A C13A F9A 52.7(18) . . . . ?
F8A C12A C13A F9A 167.9(17) . . . . ?
C10A C12A C13A F9A -70(2) . . . . ?
F7A C12A C13A F10A -56.4(12) . . . . ?
F8A C12A C13A F10A 58.8(16) . . . . ?
C10A C12A C13A F10A -178.9(13) . . . . ?
F7A C12A C13A C14A -170.3(14) . . . . ?
F8A C12A C13A C14A -55(2) . . . . ?
C10A C12A C13A C14A 67(2) . . . . ?
Na1 F12A C14A F11A -141.6(8) . . . . ?
Na1 F12A C14A C13A 108.0(11) . . . . ?
Na1 F12A C14A C11A -24.9(16) . . . . ?
F9A C13A C14A F11A -47.7(18) . . . . ?
F10A C13A C14A F11A 66.8(13) . . . . ?
C12A C13A C14A F11A 177.8(13) . . . . ?
F9A C13A C14A F12A 62.0(16) . . . . ?
F10A C13A C14A F12A 176.6(11) . . . . ?
C12A C13A C14A F12A -72.5(18) . . . . ?
F9A C13A C14A C11A -176.7(16) . . . . ?
F10A C13A C14A C11A -62.2(18) . . . . ?
C12A C13A C14A C11A 49(2) . . . . ?
O14A C11A C14A F11A 132.4(17) . . . . ?
N4A C11A C14A F11A -51.8(18) . . . . ?
O14A C11A C14A F12A 19(2) . . . . ?
N4A C11A C14A F12A -165.7(14) . . . . ?
O14A C11A C14A C13A -100.0(19) . . . . ?
N4A C11A C14A C13A 76(2) . . . . ?
