#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/83/7028324.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_7028324
loop_
_publ_author_name
'Gao, Song'
'Chen, Mao-Long'
'Zhou, Zhao-Hui'
_publ_section_title
;
 Substitution of gadolinium ethylenediaminetetraacetate with phosphites:
 towards gadolinium deposit in nephrogenic systemic fibrosis.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              639
_journal_page_last               645
_journal_paper_doi               10.1039/c3dt52015c
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety
'C20 H33 Gd2 N4 Na8.5 O39 P2, 2(Cl), 3(O), 0.5(Cl O2)'
_chemical_formula_sum            'C20 H33 Cl2.5 Gd2 N4 Na8.5 O43 P2'
_chemical_formula_weight         1677.98
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_date             2013-07-23
_audit_creation_method
;
  Olex2 1.1
  (compiled 2011.11.01 svn.r2039, GUI svn.r3906)
;
_cell_angle_alpha                94.063(6)
_cell_angle_beta                 103.853(7)
_cell_angle_gamma                93.889(6)
_cell_formula_units_Z            2
_cell_length_a                   10.4283(9)
_cell_length_b                   16.3350(12)
_cell_length_c                   17.3916(12)
_cell_measurement_temperature    173(2)
_cell_volume                     2858.2(4)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      446(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'MO K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_av_unetI/netI     0.0838
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20606
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.00
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_exptl_absorpt_coefficient_mu    2.647
_exptl_absorpt_correction_T_max  0.7777
_exptl_absorpt_correction_T_min  0.6196
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1638
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.815
_refine_diff_density_min         -1.468
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     780
_refine_ls_number_reflns         10596
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0518
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0224P)²+10.8073P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1142
_reflns_number_gt                7523
_reflns_number_total             10596
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52015c.txt
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_formula_sum        'C20 H33 Cl2.50 Gd2 N4 Na8.50 O43 P2'
_cod_database_code               7028324
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd -1.96162(3) -0.16809(2) -0.48366(2) 0.00955(10) Uani 1 1 d . . .
Gd2 Gd -1.53549(3) 0.16504(2) -0.01881(2) 0.01321(11) Uani 1 1 d . . .
Na1 Na -1.5888(4) -0.0464(2) -0.3222(3) 0.0430(10) Uani 1 1 d . . .
Na2 Na -1.7695(3) 0.3945(2) 0.2375(2) 0.0373(9) Uani 1 1 d . . .
Na3 Na -1.9338(3) 0.22047(18) 0.16483(18) 0.0174(7) Uani 1 1 d . . .
Na4 Na -1.7281(3) -0.3902(2) -0.7459(2) 0.0334(9) Uani 1 1 d . . .
Na5 Na -1.8746(3) -0.23459(19) -0.81478(18) 0.0224(7) Uani 1 1 d . . .
Na6 Na -1.3574(3) -0.2291(2) -0.2977(2) 0.0298(8) Uani 1 1 d . . .
Na7 Na -1.4178(3) 0.17953(18) -0.31041(18) 0.0201(7) Uani 1 1 d . . .
Na8 Na -1.7242(3) -0.00673(18) -0.11458(18) 0.0190(7) Uani 1 1 d . . .
Na9 Na -1.5000 0.0000 -0.5000 0.0212(10) Uani 1 2 d S . .
P1 P -2.04106(18) 0.01436(11) -0.37446(12) 0.0117(4) Uani 1 1 d . . .
H1 H -1.9708 0.0527 -0.3374 0.014 Uiso 1 1 calc R . .
P2 P -1.6206(2) 0.00464(15) 0.09413(13) 0.0228(5) Uani 1 1 d . . .
H2 H -1.7017 -0.0349 0.0770 0.027 Uiso 1 1 calc R A 1
Cl1 Cl -1.8629(3) 0.50411(16) -0.2294(2) 0.0763(12) Uani 1 1 d . . .
Cl2 Cl -1.2828(3) 0.50630(17) 0.5026(2) 0.0626(9) Uani 1 1 d . . .
N1 N -2.0404(5) -0.3020(4) -0.5794(4) 0.0119(13) Uani 1 1 d . . .
N2 N -1.8975(5) -0.3008(4) -0.4120(3) 0.0096(13) Uani 1 1 d . . .
N3 N -1.6185(6) 0.2970(4) -0.0843(4) 0.0148(14) Uani 1 1 d . . .
N4 N -1.4322(5) 0.2955(4) 0.0750(4) 0.0149(14) Uani 1 1 d . . .
O1 O -1.8090(5) -0.2165(3) -0.5606(3) 0.0152(11) Uani 1 1 d . . .
O2 O -1.7849(5) -0.2630(3) -0.6797(3) 0.0187(12) Uani 1 1 d . . .
O3 O -2.1774(5) -0.1683(3) -0.5754(3) 0.0156(11) Uani 1 1 d . . .
O4 O -2.3662(5) -0.2347(3) -0.6466(3) 0.0253(14) Uani 1 1 d . . .
O5 O -1.7484(4) -0.1566(3) -0.3968(3) 0.0155(11) Uani 1 1 d . . .
O6 O -1.5749(5) -0.2051(3) -0.3174(3) 0.0218(13) Uani 1 1 d . . .
O7 O -2.1225(4) -0.2303(3) -0.4174(3) 0.0139(11) Uani 1 1 d . . .
O8 O -2.1476(5) -0.2776(3) -0.3039(3) 0.0174(12) Uani 1 1 d . . .
O9 O -1.9755(5) -0.0641(3) -0.3897(3) 0.0153(11) Uani 1 1 d . . .
O10 O -2.1504(5) -0.0010(3) -0.3313(3) 0.0215(13) Uani 1 1 d . . .
O11 O -1.7214(5) 0.1418(3) -0.1283(3) 0.0184(12) Uani 1 1 d . . .
O12 O -1.9260(5) 0.1747(3) -0.1781(3) 0.0251(13) Uani 1 1 d . . .
O20 O -2.0860(4) 0.0583(3) -0.4501(3) 0.0166(12) Uani 1 1 d . . .
O13 O -1.3810(5) 0.2315(3) -0.0788(3) 0.0196(12) Uani 1 1 d . . .
O14 O -1.3533(5) 0.2836(3) -0.1890(3) 0.0241(13) Uani 1 1 d . . .
O15 O -1.3507(5) 0.1423(3) 0.0839(3) 0.0175(12) Uani 1 1 d . . .
O16 O -1.1541(5) 0.1848(3) 0.1633(3) 0.0202(12) Uani 1 1 d . . .
O17 O -1.6828(5) 0.2181(3) 0.0532(3) 0.0182(12) Uani 1 1 d . . .
O18 O -1.7121(5) 0.2757(3) 0.1670(3) 0.0213(13) Uani 1 1 d . . .
O19 O -1.6358(5) 0.0501(3) 0.0206(3) 0.0183(12) Uani 1 1 d . . .
O21 O -1.5157(5) -0.0560(3) 0.1003(3) 0.0190(12) Uani 1 1 d . . .
O22 O -1.6316(12) 0.0312(7) 0.1722(7) 0.023(4) Uani 0.454(13) 1 d PU . 1
C1 C -1.9974(7) -0.2864(4) -0.6516(4) 0.0136(16) Uani 1 1 d . . .
H1A H -2.0521 -0.2458 -0.6807 0.016 Uiso 1 1 calc R . .
H1B H -2.0090 -0.3381 -0.6868 0.016 Uiso 1 1 calc R . .
C2 C -1.8521(7) -0.2531(4) -0.6291(5) 0.0138(16) Uani 1 1 d . . .
C3 C -2.1858(7) -0.3154(4) -0.5981(4) 0.0139(16) Uani 1 1 d . . .
H3A H -2.2131 -0.3425 -0.5547 0.017 Uiso 1 1 calc R . .
H3B H -2.2178 -0.3523 -0.6477 0.017 Uiso 1 1 calc R . .
C4 C -2.2484(7) -0.2335(4) -0.6084(4) 0.0141(16) Uani 1 1 d . . .
C5 C -1.7516(7) -0.3023(4) -0.3924(5) 0.0158(17) Uani 1 1 d . . .
H5A H -1.7237 -0.3247 -0.4396 0.019 Uiso 1 1 calc R . .
H5B H -1.7237 -0.3385 -0.3492 0.019 Uiso 1 1 calc R . .
C6 C -1.6851(7) -0.2148(5) -0.3659(4) 0.0126(16) Uani 1 1 d . . .
C7 C -1.9417(7) -0.2907(5) -0.3381(4) 0.0145(16) Uani 1 1 d . . .
H7A H -1.8808 -0.2487 -0.3005 0.017 Uiso 1 1 calc R . .
H7B H -1.9385 -0.3434 -0.3132 0.017 Uiso 1 1 calc R . .
C8 C -2.0818(7) -0.2644(5) -0.3536(5) 0.0186(18) Uani 1 1 d . . .
C9 C -1.9767(7) -0.3753(4) -0.5458(4) 0.0152(16) Uani 1 1 d . . .
H9A H -1.8865 -0.3750 -0.5548 0.018 Uiso 1 1 calc R . .
H9B H -2.0286 -0.4261 -0.5744 0.018 Uiso 1 1 calc R . .
C10 C -1.9675(7) -0.3771(4) -0.4583(4) 0.0127(16) Uani 1 1 d . . .
H10A H -2.0579 -0.3844 -0.4498 0.015 Uiso 1 1 calc R . .
H10B H -1.9199 -0.4249 -0.4388 0.015 Uiso 1 1 calc R . .
C11 C -1.7625(7) 0.2839(5) -0.1167(5) 0.0183(18) Uani 1 1 d . . .
H11A H -1.7886 0.3177 -0.1620 0.022 Uiso 1 1 calc R . .
H11B H -1.8075 0.3024 -0.0754 0.022 Uiso 1 1 calc R . .
C12 C -1.8080(7) 0.1937(5) -0.1446(4) 0.0154(17) Uani 1 1 d . . .
C13 C -1.5519(7) 0.3067(5) -0.1508(5) 0.0190(18) Uani 1 1 d . . .
H13A H -1.5402 0.3662 -0.1578 0.023 Uiso 1 1 calc R . .
H13B H -1.6113 0.2795 -0.2004 0.023 Uiso 1 1 calc R . .
C14 C -1.4182(7) 0.2721(4) -0.1394(5) 0.0157(17) Uani 1 1 d . . .
C15 C -1.2906(7) 0.2870(5) 0.1078(5) 0.0169(17) Uani 1 1 d . . .
H15A H -1.2602 0.3210 0.1593 0.020 Uiso 1 1 calc R . .
H15B H -1.2396 0.3082 0.0711 0.020 Uiso 1 1 calc R . .
C16 C -1.2618(7) 0.1971(5) 0.1205(5) 0.0164(17) Uani 1 1 d . . .
C17 C -1.5000(7) 0.2999(5) 0.1410(5) 0.0181(17) Uani 1 1 d . . .
H17A H -1.4978 0.3583 0.1610 0.022 Uiso 1 1 calc R . .
H17B H -1.4496 0.2708 0.1851 0.022 Uiso 1 1 calc R . .
C18 C -1.6440(7) 0.2627(4) 0.1185(5) 0.0172(17) Uani 1 1 d . . .
C19 C -1.5863(7) 0.3697(5) -0.0243(5) 0.0174(17) Uani 1 1 d . . .
H19A H -1.6532 0.3695 0.0076 0.021 Uiso 1 1 calc R . .
H19B H -1.5916 0.4206 -0.0522 0.021 Uiso 1 1 calc R . .
C20 C -1.4482(7) 0.3707(4) 0.0315(5) 0.0169(17) Uani 1 1 d . . .
H20A H -1.3807 0.3751 0.0001 0.020 Uiso 1 1 calc R . .
H20B H -1.4327 0.4198 0.0703 0.020 Uiso 1 1 calc R . .
O1W O -1.4325(5) 0.1380(3) -0.4452(3) 0.0230(13) Uani 1 1 d . . .
O2W O -1.7553(5) -0.1066(3) -0.7637(3) 0.0217(13) Uani 1 1 d . . .
O3W O -1.7679(5) -0.0592(3) -0.2505(3) 0.0216(12) Uani 1 1 d . . .
O4W O -1.6881(5) 0.0243(3) -0.4423(3) 0.0249(13) Uani 1 1 d . . .
O5W O -1.5593(5) 0.0925(3) -0.2568(3) 0.0207(12) Uani 1 1 d . . .
O6W O -1.6762(8) 0.4972(4) 0.1675(8) 0.110(4) Uani 1 1 d U . .
O7W O -1.8317(6) 0.5044(3) 0.3155(4) 0.0379(17) Uani 1 1 d . . .
O8W O -1.9754(6) 0.3684(4) 0.1436(4) 0.0346(15) Uani 1 1 d . . .
O9W O -1.8190(5) 0.1083(3) 0.2224(3) 0.0243(13) Uani 1 1 d . . .
O10W O -1.9435(5) 0.1431(3) 0.0377(3) 0.0269(14) Uani 1 1 d . . .
O11W O -1.5745(6) 0.3801(4) 0.3299(5) 0.064(2) Uani 1 1 d . . .
O12W O -1.3850(5) -0.2232(4) -0.4426(3) 0.0274(14) Uani 1 1 d . . .
H12A H -1.4071 -0.2726 -0.4666 0.041 Uiso 1 1 d R . .
H12B H -1.4472 -0.1913 -0.4605 0.041 Uiso 1 1 d R . .
O13W O -1.9427(6) -0.3819(4) -0.8347(4) 0.0346(15) Uani 1 1 d . . .
O14W O -1.8942(6) -0.2527(5) -0.9558(4) 0.0454(18) Uani 1 1 d . . .
H14W H -1.9426 -0.2142 -0.9810 0.068 Uiso 1 1 d R . .
O15W O -1.5146(7) -0.3832(5) -0.6634(5) 0.061(2) Uani 1 1 d D . .
H15W H -1.4598 -0.3307 -0.6604 0.091 Uiso 1 1 d RD . .
O16W O -1.4063(5) -0.0598(3) -0.3795(3) 0.0246(13) Uani 1 1 d . . .
O17W O -1.9526(5) 0.0122(3) -0.1251(4) 0.0291(14) Uani 1 1 d . . .
H17C H -2.0002 -0.0349 -0.1414 0.044 Uiso 1 1 d R . .
H17D H -1.9632 0.0297 -0.0784 0.044 Uiso 1 1 d R . .
O18W O -1.5056(9) 0.3808(5) 0.4996(6) 0.088(3) Uani 1 1 d . . .
O20W O -1.9484(6) -0.0070(4) 0.0215(4) 0.0428(18) Uani 1 1 d . . .
O22A O -1.7456(9) -0.0099(6) 0.1171(6) 0.017(3) Uani 0.546(13) 1 d PU . 2
Cl3 Cl -1.8415(8) 0.5066(4) 0.0058(4) 0.083(2) Uani 0.50 1 d P . .
O1C O -1.5793(12) -0.4904(8) -0.2567(8) 0.047(3) Uani 0.65 1 d P . .
O1E O -1.633(2) -0.4840(14) -0.3078(17) 0.053(7) Uani 0.35 1 d P . .
H4 H -1.536(10) -0.374(5) -0.619(3) 0.063 Uiso 1 1 d D . .
O1A O -1.9041(19) 0.5765(8) 0.0100(8) 0.058(5) Uani 0.50 1 d P . .
O1B O -1.959(3) 0.4292(10) -0.0031(10) 0.101(8) Uani 0.50 1 d P . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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'
Na Na 0.0362 0.0249 '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'
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
N1 Gd1 N2 68.17(18) . .
O1 Gd1 N1 62.90(16) . .
O1 Gd1 N2 81.18(17) . .
O1 Gd1 O7 137.00(16) . .
O3 Gd1 N1 64.57(17) . .
O3 Gd1 N2 119.48(17) . .
O3 Gd1 O1 107.32(16) . .
O3 Gd1 O7 73.92(16) . .
O5 Gd1 N1 118.87(17) . .
O5 Gd1 N2 65.21(17) . .
O5 Gd1 O1 72.79(17) . .
O5 Gd1 O3 175.31(16) . .
O5 Gd1 O7 109.32(16) . .
O7 Gd1 N1 81.07(17) . .
O7 Gd1 N2 63.25(16) . .
O9 Gd1 N1 156.46(17) . .
O9 Gd1 N2 108.86(18) . .
O9 Gd1 O1 140.63(16) . .
O9 Gd1 O3 100.39(17) . .
O9 Gd1 O5 77.37(17) . .
O9 Gd1 O7 77.18(17) . .
O20 Gd1 N1 111.99(18) 2_154 .
O20 Gd1 N2 152.00(16) 2_154 .
O20 Gd1 O1 75.00(17) 2_154 .
O20 Gd1 O3 82.14(16) 2_154 .
O20 Gd1 O5 93.42(17) 2_154 .
O20 Gd1 O7 144.44(16) 2_154 .
O20 Gd1 O9 81.84(18) 2_154 .
N3 Gd2 Na8 110.99(14) . .
N4 Gd2 Na8 166.28(13) . .
N4 Gd2 N3 69.92(19) . .
O11 Gd2 Na8 46.23(13) . .
O11 Gd2 N3 64.76(18) . .
O11 Gd2 N4 132.35(18) . .
O11 Gd2 O13 100.31(18) . .
O11 Gd2 O15 161.68(18) . .
O11 Gd2 O17 86.18(17) . .
O11 Gd2 O21 75.18(17) . 2_255
O13 Gd2 Na8 119.49(14) . .
O13 Gd2 N3 66.81(17) . .
O13 Gd2 N4 73.85(18) . .
O13 Gd2 O17 131.57(17) . .
O13 Gd2 O21 77.40(18) . 2_255
O15 Gd2 Na8 115.73(13) . .
O15 Gd2 N3 133.07(18) . .
O15 Gd2 N4 65.85(18) . .
O15 Gd2 O13 86.28(17) . .
O15 Gd2 O17 102.31(18) . .
O15 Gd2 O21 89.82(17) . 2_255
O17 Gd2 Na8 99.59(13) . .
O17 Gd2 N3 73.43(18) . .
O17 Gd2 N4 67.21(17) . .
O19 Gd2 Na8 44.98(14) . .
O19 Gd2 N3 135.09(17) . .
O19 Gd2 N4 124.29(19) . .
O19 Gd2 O11 81.86(17) . .
O19 Gd2 O13 153.02(18) . .
O19 Gd2 O15 84.63(17) . .
O19 Gd2 O17 75.29(18) . .
O19 Gd2 O21 77.23(18) . 2_255
O21 Gd2 Na8 49.47(13) 2_255 .
O21 Gd2 N3 118.43(18) 2_255 .
O21 Gd2 N4 143.07(17) 2_255 .
O21 Gd2 O17 148.62(17) 2_255 .
Na6 Na1 Na7 117.60(11) . .
Na6 Na1 Na8 108.93(11) . .
Na7 Na1 Na8 95.30(10) . .
Na9 Na1 Na6 91.10(9) . .
Na9 Na1 Na7 66.69(7) . .
Na9 Na1 Na8 158.08(11) . .
O5 Na1 Na6 81.23(15) . .
O5 Na1 Na7 148.9(2) . .
O5 Na1 Na8 101.68(15) . .
O5 Na1 Na9 89.80(17) . .
O5 Na1 O6 52.21(17) . .
O5 Na1 O22 135.5(3) . 2_255
O5 Na1 C6 26.36(18) . .
O5 Na1 O3W 73.93(19) . .
O5 Na1 O4W 80.2(2) . .
O6 Na1 Na6 33.39(12) . .
O6 Na1 Na7 150.99(17) . .
O6 Na1 Na8 96.63(16) . .
O6 Na1 Na9 105.13(16) . .
O6 Na1 O22 85.3(3) . 2_255
O6 Na1 C6 25.87(18) . .
O22 Na1 Na6 64.4(2) 2_255 .
O22 Na1 Na7 75.3(2) 2_255 .
O22 Na1 Na8 66.9(2) 2_255 .
O22 Na1 Na9 116.9(2) 2_255 .
C6 Na1 Na6 56.69(17) . .
C6 Na1 Na7 165.22(19) . .
C6 Na1 Na8 99.46(17) . .
C6 Na1 Na9 98.99(17) . .
C6 Na1 O22 110.1(3) . 2_255
O3W Na1 Na6 113.72(17) . .
O3W Na1 Na7 114.74(17) . .
O3W Na1 Na8 29.55(13) . .
O3W Na1 Na9 147.0(2) . .
O3W Na1 O6 87.54(19) . .
O3W Na1 O22 94.0(3) . 2_255
O3W Na1 C6 79.1(2) . .
O3W Na1 O4W 104.3(2) . .
O4W Na1 Na6 130.52(18) . .
O4W Na1 Na7 68.78(15) . .
O4W Na1 Na8 119.56(17) . .
O4W Na1 Na9 43.66(13) . .
O4W Na1 O6 125.8(2) . .
O4W Na1 O22 143.8(3) . 2_255
O4W Na1 C6 103.9(2) . .
O5W Na1 Na6 131.60(19) . .
O5W Na1 Na7 34.05(13) . .
O5W Na1 Na8 61.78(15) . .
O5W Na1 Na9 98.41(16) . .
O5W Na1 O5 145.5(2) . .
O5W Na1 O6 151.1(3) . .
O5W Na1 O22 69.1(3) . 2_255
O5W Na1 C6 160.5(2) . .
O5W Na1 O3W 81.5(2) . .
O5W Na1 O4W 83.0(2) . .
O16W Na1 Na6 54.52(15) . .
O16W Na1 Na7 74.36(16) . .
O16W Na1 Na8 147.7(2) . .
O16W Na1 Na9 42.13(14) . .
O16W Na1 O5 102.3(2) . .
O16W Na1 O6 81.5(2) . .
O16W Na1 O22 80.8(3) . 2_255
O16W Na1 C6 92.6(2) . .
O16W Na1 O3W 168.2(3) . .
O16W Na1 O4W 85.7(2) . .
O16W Na1 O5W 106.2(2) . .
Na3 Na2 Na4 152.32(14) . 1_566
Na6 Na2 Na3 62.28(10) 2_255 .
Na6 Na2 Na4 145.40(14) 2_255 1_566
O8 Na2 Na3 48.75(14) 2_155 .
O8 Na2 Na4 140.85(19) 2_155 1_566
O8 Na2 Na6 47.54(14) 2_155 2_255
O18 Na2 Na3 48.10(14) . .
O18 Na2 Na4 141.34(19) . 1_566
O18 Na2 Na6 48.03(16) . 2_255
O18 Na2 O8 77.45(19) . 2_155
O18 Na2 O6W 96.7(3) . .
O6W Na2 Na3 128.0(3) . .
O6W Na2 Na4 44.8(2) . 1_566
O6W Na2 Na6 127.1(2) . 2_255
O6W Na2 O8 173.9(3) . 2_155
O7W Na2 Na3 128.76(19) . .
O7W Na2 Na4 43.60(16) . 1_566
O7W Na2 Na6 127.7(2) . 2_255
O7W Na2 O8 97.5(2) . 2_155
O7W Na2 O18 174.9(3) . .
O7W Na2 O6W 88.3(3) . .
O8W Na2 Na3 50.80(16) . .
O8W Na2 Na4 101.52(19) . 1_566
O8W Na2 Na6 113.08(19) . 2_255
O8W Na2 O8 84.7(2) . 2_155
O8W Na2 O18 83.7(2) . .
O8W Na2 O6W 96.4(3) . .
O8W Na2 O7W 96.7(2) . .
O11W Na2 Na3 112.9(2) . .
O11W Na2 Na4 94.8(2) . 1_566
O11W Na2 Na6 50.65(19) . 2_255
O11W Na2 O8 82.0(2) . 2_155
O11W Na2 O18 84.3(3) . .
O11W Na2 O6W 96.0(3) . .
O11W Na2 O7W 94.3(3) . .
O11W Na2 O8W 163.7(3) . .
Na2 Na3 Na6 58.78(10) . 2_255
O8 Na3 Na2 50.22(14) 2_155 .
O8 Na3 Na6 45.94(13) 2_155 2_255
O8 Na3 O8W 82.4(2) 2_155 .
O16 Na3 Na2 125.45(18) 1_455 .
O16 Na3 Na6 136.16(18) 1_455 2_255
O16 Na3 O8 99.5(2) 1_455 2_155
O16 Na3 O18 172.6(2) 1_455 .
O16 Na3 O8W 92.5(2) 1_455 .
O16 Na3 O9W 104.0(2) 1_455 .
O16 Na3 O10W 94.9(2) 1_455 .
O18 Na3 Na2 47.94(14) . .
O18 Na3 Na6 46.19(15) . 2_255
O18 Na3 O8 78.38(19) . 2_155
O18 Na3 O8W 80.2(2) . .
O18 Na3 O10W 88.9(2) . .
O8W Na3 Na2 46.44(16) . .
O8W Na3 Na6 105.21(17) . 2_255
O9W Na3 Na2 110.57(18) . .
O9W Na3 Na6 51.81(16) . 2_255
O9W Na3 O8 79.2(2) . 2_155
O9W Na3 O18 82.65(19) . .
O9W Na3 O8W 157.0(2) . .
O9W Na3 O10W 84.8(2) . .
O10W Na3 Na2 128.38(17) . .
O10W Na3 Na6 114.98(17) . 2_255
O10W Na3 O8 160.6(2) . 2_155
O10W Na3 O8W 110.0(2) . .
Na2 Na4 Na7 161.54(13) 1_544 2_254
Na5 Na4 Na2 140.78(14) . 1_544
Na5 Na4 Na7 57.60(9) . 2_254
O2 Na4 Na2 144.46(17) . 1_544
O2 Na4 Na5 47.84(15) . .
O2 Na4 Na7 42.97(13) . 2_254
O14 Na4 Na2 138.8(2) 2_254 1_544
O14 Na4 Na5 51.68(15) 2_254 .
O14 Na4 Na7 44.09(15) 2_254 2_254
O14 Na4 O2 76.2(2) 2_254 .
O14 Na4 O6W 95.0(3) 2_254 1_544
O14 Na4 O7W 174.7(3) 2_254 1_544
O14 Na4 O13W 87.5(2) 2_254 .
O6W Na4 Na2 43.9(2) 1_544 1_544
O6W Na4 Na5 122.6(3) 1_544 .
O6W Na4 Na7 132.1(2) 1_544 2_254
O6W Na4 O2 169.9(3) 1_544 .
O7W Na4 Na2 43.03(16) 1_544 1_544
O7W Na4 Na5 123.28(18) 1_544 .
O7W Na4 Na7 136.5(2) 1_544 2_254
O7W Na4 O2 101.5(2) 1_544 .
O7W Na4 O6W 86.8(3) 1_544 1_544
O13W Na4 Na2 91.95(18) . 1_544
O13W Na4 Na5 48.92(16) . .
O13W Na4 Na7 106.49(18) . 2_254
O13W Na4 O2 82.7(2) . .
O13W Na4 O6W 92.0(3) . 1_544
O13W Na4 O7W 87.4(2) . 1_544
O15W Na4 Na2 94.1(2) . 1_544
O15W Na4 Na5 124.9(2) . .
O15W Na4 Na7 67.5(2) . 2_254
O15W Na4 O2 93.7(3) . .
O15W Na4 O14 86.5(3) . 2_254
O15W Na4 O6W 90.8(3) . 1_544
O15W Na4 O7W 98.5(3) . 1_544
O15W Na4 O13W 173.6(3) . .
Na4 Na5 Na7 67.63(10) . 2_254
O2 Na5 Na4 49.94(15) . .
O2 Na5 Na7 48.26(13) . 2_254
O2 Na5 O14 74.29(19) . 2_254
O2 Na5 O13W 83.8(2) . .
O2 Na5 O14W 153.4(2) . .
O12 Na5 Na4 139.82(19) 2_154 .
O12 Na5 Na7 127.95(19) 2_154 2_254
O12 Na5 O2 108.5(2) 2_154 .
O12 Na5 O14 173.2(2) 2_154 2_254
O12 Na5 O2W 90.0(2) 2_154 .
O12 Na5 O13W 103.4(2) 2_154 .
O12 Na5 O14W 96.6(2) 2_154 .
O14 Na5 Na4 46.68(14) 2_254 .
O14 Na5 Na7 49.22(14) 2_254 2_254
O2W Na5 Na4 113.76(17) . .
O2W Na5 Na7 46.15(14) . 2_254
O2W Na5 O2 80.1(2) . .
O2W Na5 O14 84.38(19) . 2_254
O2W Na5 O13W 161.7(2) . .
O2W Na5 O14W 108.9(3) . .
O13W Na5 Na4 48.23(16) . .
O13W Na5 Na7 115.82(18) . 2_254
O13W Na5 O14 82.9(2) . 2_254
O14W Na5 Na4 104.7(2) . .
O14W Na5 Na7 120.5(2) . 2_254
O14W Na5 O14 81.7(2) . 2_254
O14W Na5 O13W 82.2(2) . .
Na2 Na6 Na1 160.47(13) 2_255 .
Na2 Na6 Na3 58.94(10) 2_255 2_255
Na3 Na6 Na1 123.80(13) 2_255 .
O6 Na6 Na1 39.18(15) . .
O6 Na6 Na2 125.79(19) . 2_255
O6 Na6 Na3 145.3(2) . 2_255
O6 Na6 O8 166.4(3) . 1_655
O6 Na6 O18 107.5(2) . 2_255
O6 Na6 O9W 116.9(2) . 2_255
O6 Na6 O11W 89.3(2) . 2_255
O6 Na6 O12W 87.4(2) . .
O8 Na6 Na1 147.68(17) 1_655 .
O8 Na6 Na2 50.51(14) 1_655 2_255
O8 Na6 Na3 47.34(15) 1_655 2_255
O8 Na6 O18 79.61(19) 1_655 2_255
O8 Na6 O9W 75.61(18) 1_655 2_255
O8 Na6 O11W 80.3(2) 1_655 2_255
O8 Na6 O12W 83.2(2) 1_655 .
O18 Na6 Na1 117.42(17) 2_255 .
O18 Na6 Na2 48.05(15) 2_255 2_255
O18 Na6 Na3 46.35(13) 2_255 2_255
O18 Na6 O9W 77.95(19) 2_255 2_255
O18 Na6 O11W 80.2(3) 2_255 2_255
O18 Na6 O12W 159.5(2) 2_255 .
O9W Na6 Na1 81.31(15) 2_255 .
O9W Na6 Na2 104.57(16) 2_255 2_255
O9W Na6 Na3 45.64(13) 2_255 2_255
O11W Na6 Na1 127.51(19) 2_255 .
O11W Na6 Na2 45.47(19) 2_255 2_255
O11W Na6 Na3 104.4(2) 2_255 2_255
O11W Na6 O9W 149.9(2) 2_255 2_255
O12W Na6 Na1 83.02(16) . .
O12W Na6 Na2 111.82(19) . 2_255
O12W Na6 Na3 124.69(16) . 2_255
O12W Na6 O9W 108.4(2) . 2_255
O12W Na6 O11W 86.0(3) . 2_255
Na1 Na7 Na9 51.93(7) . .
Na4 Na7 Na1 166.96(12) 2_254 .
Na4 Na7 Na9 141.12(10) 2_254 .
Na5 Na7 Na1 120.51(12) 2_254 .
Na5 Na7 Na4 54.77(9) 2_254 2_254
Na5 Na7 Na9 126.93(10) 2_254 .
O2 Na7 Na1 145.11(17) 2_254 .
O2 Na7 Na4 42.88(14) 2_254 2_254
O2 Na7 Na5 46.18(14) 2_254 2_254
O2 Na7 Na9 105.96(15) 2_254 .
O2 Na7 O14 73.02(18) 2_254 .
O4 Na7 Na1 91.30(16) 2_154 .
O4 Na7 Na4 88.11(16) 2_154 2_254
O4 Na7 Na5 138.63(18) 2_154 2_254
O4 Na7 Na9 92.92(15) 2_154 .
O4 Na7 O2 119.0(2) 2_154 2_254
O4 Na7 O14 91.2(2) 2_154 .
O14 Na7 Na1 126.75(16) . .
O14 Na7 Na4 40.27(14) . 2_254
O14 Na7 Na5 49.34(14) . 2_254
O14 Na7 Na9 175.71(16) . .
O1W Na7 Na1 80.72(16) . .
O1W Na7 Na4 112.26(17) . 2_254
O1W Na7 Na5 120.61(17) . 2_254
O1W Na7 Na9 29.16(13) . .
O1W Na7 O2 83.49(19) . 2_254
O1W Na7 O4 87.9(2) . 2_154
O1W Na7 O14 152.5(2) . .
O1W Na7 O2W 105.4(2) . 2_254
O1W Na7 O5W 111.6(2) . .
O2W Na7 Na1 76.70(15) 2_254 .
O2W Na7 Na4 100.02(16) 2_254 2_254
O2W Na7 Na5 45.27(15) 2_254 2_254
O2W Na7 Na9 91.95(16) 2_254 .
O2W Na7 O2 77.82(19) 2_254 2_254
O2W Na7 O4 160.2(2) 2_254 2_154
O2W Na7 O14 83.8(2) 2_254 .
O5W Na7 Na1 34.98(15) . .
O5W Na7 Na4 132.75(18) . 2_254
O5W Na7 Na5 113.30(17) . 2_254
O5W Na7 Na9 84.89(15) . .
O5W Na7 O2 159.4(2) . 2_254
O5W Na7 O4 76.9(2) . 2_154
O5W Na7 O14 94.8(2) . .
O5W Na7 O2W 84.45(19) . 2_254
Gd2 Na8 Na1 103.36(8) . .
O11 Na8 Gd2 43.95(12) . .
O11 Na8 Na1 91.03(15) . .
O11 Na8 O21 69.70(17) . 2_255
O11 Na8 C16 172.8(2) . 2_255
O15 Na8 Gd2 119.10(15) 2_255 .
O15 Na8 Na1 85.49(15) 2_255 .
O15 Na8 O11 161.2(2) 2_255 .
O15 Na8 O21 92.05(18) 2_255 2_255
O15 Na8 C16 22.68(18) 2_255 2_255
O19 Na8 Gd2 42.86(12) . .
O19 Na8 Na1 137.82(16) . .
O19 Na8 O11 78.10(19) . .
O19 Na8 O15 92.12(19) . 2_255
O19 Na8 O21 71.53(18) . 2_255
O19 Na8 C16 109.1(2) . 2_255
O21 Na8 Gd2 44.05(12) 2_255 .
O21 Na8 Na1 66.49(14) 2_255 .
O21 Na8 C16 111.3(2) 2_255 2_255
C16 Na8 Gd2 141.63(17) 2_255 .
C16 Na8 Na1 83.03(15) 2_255 .
O3W Na8 Gd2 129.71(16) . .
O3W Na8 Na1 30.99(14) . .
O3W Na8 O11 100.6(2) . .
O3W Na8 O15 85.9(2) . 2_255
O3W Na8 O19 168.7(2) . .
O3W Na8 O21 97.42(19) . 2_255
O3W Na8 C16 72.2(2) . 2_255
O3W Na8 O17W 92.1(2) . .
O17W Na8 Gd2 109.28(17) . .
O17W Na8 Na1 119.64(18) . .
O17W Na8 O11 80.01(19) . .
O17W Na8 O15 117.7(2) . 2_255
O17W Na8 O19 98.7(2) . .
O17W Na8 O21 149.4(2) . 2_255
O17W Na8 C16 99.3(2) . 2_255
Na1 Na9 Na1 180.000(1) . 2_254
Na1 Na9 Na7 118.62(7) 2_254 .
Na1 Na9 Na7 61.38(7) . .
Na1 Na9 Na7 61.38(7) 2_254 2_254
Na1 Na9 Na7 118.62(7) . 2_254
Na7 Na9 Na7 180.0 2_254 .
O1W Na9 Na1 89.90(14) . .
O1W Na9 Na1 90.10(14) 2_254 .
O1W Na9 Na1 89.90(14) 2_254 2_254
O1W Na9 Na1 90.10(14) . 2_254
O1W Na9 Na7 151.09(13) . 2_254
O1W Na9 Na7 28.91(13) 2_254 2_254
O1W Na9 Na7 151.09(13) 2_254 .
O1W Na9 Na7 28.91(13) . .
O1W Na9 O1W 180.000(1) 2_254 .
O1W Na9 O4W 81.65(17) . .
O1W Na9 O4W 81.65(17) 2_254 2_254
O1W Na9 O4W 98.35(17) 2_254 .
O1W Na9 O4W 98.35(17) . 2_254
O1W Na9 O16W 94.68(19) . .
O1W Na9 O16W 85.32(19) 2_254 .
O1W Na9 O16W 85.32(19) . 2_254
O1W Na9 O16W 94.68(19) 2_254 2_254
O4W Na9 Na1 135.32(14) 2_254 .
O4W Na9 Na1 44.68(14) . .
O4W Na9 Na1 44.68(14) 2_254 2_254
O4W Na9 Na1 135.32(14) . 2_254
O4W Na9 Na7 114.47(13) 2_254 .
O4W Na9 Na7 65.53(13) . .
O4W Na9 Na7 65.53(13) 2_254 2_254
O4W Na9 Na7 114.47(13) . 2_254
O4W Na9 O4W 180.000(1) 2_254 .
O16W Na9 Na1 41.48(14) 2_254 2_254
O16W Na9 Na1 41.48(14) . .
O16W Na9 Na1 138.52(14) . 2_254
O16W Na9 Na1 138.52(14) 2_254 .
O16W Na9 Na7 70.36(14) 2_254 2_254
O16W Na9 Na7 109.64(14) . 2_254
O16W Na9 Na7 109.64(14) 2_254 .
O16W Na9 Na7 70.36(14) . .
O16W Na9 O4W 93.92(18) 2_254 .
O16W Na9 O4W 86.08(18) . .
O16W Na9 O4W 93.92(18) . 2_254
O16W Na9 O4W 86.08(18) 2_254 2_254
O16W Na9 O16W 180.00(16) . 2_254
O9 P1 O20 112.2(3) . .
O10 P1 O9 112.1(3) . .
O10 P1 O20 113.2(3) . .
O19 P2 O21 112.4(3) . .
O22 P2 O19 130.6(5) . .
O22 P2 O21 109.1(5) . .
O22 P2 O22A 59.2(6) . .
O22A P2 O19 112.5(4) . .
O22A P2 O21 124.6(4) . .
C1 N1 Gd1 105.3(4) . .
C1 N1 C3 109.8(5) . .
C1 N1 C9 108.6(5) . .
C3 N1 Gd1 109.5(4) . .
C3 N1 C9 111.4(5) . .
C9 N1 Gd1 112.0(4) . .
C5 N2 Gd1 109.1(4) . .
C5 N2 C10 112.7(5) . .
C7 N2 Gd1 104.7(4) . .
C7 N2 C5 109.3(5) . .
C7 N2 C10 108.2(5) . .
C10 N2 Gd1 112.7(4) . .
C11 N3 Gd2 108.7(4) . .
C11 N3 C13 109.5(6) . .
C11 N3 C19 109.7(6) . .
C13 N3 Gd2 106.5(4) . .
C19 N3 Gd2 110.3(4) . .
C19 N3 C13 112.1(6) . .
C15 N4 Gd2 108.8(4) . .
C15 N4 C17 109.0(6) . .
C15 N4 C20 109.8(5) . .
C17 N4 Gd2 107.5(4) . .
C17 N4 C20 110.8(6) . .
C20 N4 Gd2 110.8(4) . .
C2 O1 Gd1 120.8(4) . .
Na4 O2 Na7 94.15(19) . 2_254
Na5 O2 Na4 82.2(2) . .
Na5 O2 Na7 85.56(18) . 2_254
C2 O2 Na4 131.0(5) . .
C2 O2 Na5 119.8(4) . .
C2 O2 Na7 128.1(5) . 2_254
C4 O3 Gd1 123.7(5) . .
C4 O4 Na7 155.6(5) . 2_154
Gd1 O5 Na1 137.1(2) . .
C6 O5 Gd1 127.1(5) . .
C6 O5 Na1 95.4(4) . .
Na6 O6 Na1 107.4(2) . .
C6 O6 Na1 87.7(4) . .
C6 O6 Na6 144.5(5) . .
C8 O7 Gd1 119.8(4) . .
Na3 O8 Na2 81.03(19) 2_155 2_155
Na6 O8 Na2 81.95(18) 1_455 2_155
Na6 O8 Na3 86.7(2) 1_455 2_155
C8 O8 Na2 140.2(5) . 2_155
C8 O8 Na3 120.8(5) . 2_155
C8 O8 Na6 128.3(5) . 1_455
P1 O9 Gd1 145.2(3) . .
Gd2 O11 Na8 89.82(18) . .
C12 O11 Gd2 122.6(5) . .
C12 O11 Na8 136.2(5) . .
C12 O12 Na5 135.9(5) . 2_154
P1 O20 Gd1 144.5(3) . 2_154
C14 O13 Gd2 121.7(4) . .
Na4 O14 Na5 81.64(18) 2_254 2_254
Na4 O14 Na7 95.6(2) 2_254 .
Na7 O14 Na5 81.44(18) . 2_254
C14 O14 Na4 141.1(5) . 2_254
C14 O14 Na5 125.8(5) . 2_254
C14 O14 Na7 113.7(5) . .
Gd2 O15 Na8 124.8(2) . 2_255
C16 O15 Gd2 125.0(5) . .
C16 O15 Na8 108.9(5) . 2_255
C16 O16 Na3 135.1(5) . 1_655
C18 O17 Gd2 123.2(5) . .
Na2 O18 Na3 83.96(18) . .
Na6 O18 Na2 83.9(2) 2_255 .
Na6 O18 Na3 87.46(19) 2_255 .
C18 O18 Na2 136.4(5) . .
C18 O18 Na3 129.9(5) . .
C18 O18 Na6 118.9(5) . 2_255
Gd2 O19 Na8 92.16(19) . .
P2 O19 Gd2 137.6(3) . .
P2 O19 Na8 126.8(3) . .
Gd2 O21 Na8 86.48(17) 2_255 2_255
P2 O21 Gd2 137.3(3) . 2_255
P2 O21 Na8 116.0(3) . 2_255
P2 O22 Na1 126.1(6) . 2_255
N1 C1 C2 109.3(6) . .
O1 C2 C1 116.6(6) . .
O2 C2 O1 125.0(7) . .
O2 C2 C1 118.4(7) . .
N1 C3 C4 110.7(6) . .
O3 C4 C3 117.5(6) . .
O4 C4 O3 123.9(7) . .
O4 C4 C3 118.6(6) . .
N2 C5 C6 109.9(6) . .
O5 C6 Na1 58.2(4) . .
O5 C6 C5 116.1(6) . .
O6 C6 Na1 66.4(4) . .
O6 C6 O5 124.6(7) . .
O6 C6 C5 119.3(7) . .
C5 C6 Na1 173.9(5) . .
N2 C7 C8 111.3(6) . .
O7 C8 C7 116.3(6) . .
O8 C8 O7 125.2(7) . .
O8 C8 C7 118.5(7) . .
N1 C9 C10 112.8(6) . .
N2 C10 C9 112.1(6) . .
N3 C11 C12 112.0(6) . .
O11 C12 C11 117.0(7) . .
O12 C12 O11 124.1(7) . .
O12 C12 C11 118.8(6) . .
N3 C13 C14 115.2(6) . .
O13 C14 C13 117.1(6) . .
O14 C14 O13 124.3(7) . .
O14 C14 C13 118.6(7) . .
N4 C15 C16 112.5(6) . .
O15 C16 Na8 48.5(4) . 2_255
O15 C16 C15 116.4(7) . .
O16 C16 Na8 77.3(4) . 2_255
O16 C16 O15 125.8(7) . .
O16 C16 C15 117.8(7) . .
C15 C16 Na8 164.9(5) . 2_255
N4 C17 C18 114.5(6) . .
O17 C18 C17 117.3(7) . .
O18 C18 O17 125.1(7) . .
O18 C18 C17 117.5(7) . .
N3 C19 C20 112.7(6) . .
N4 C20 C19 112.2(6) . .
Na7 O1W Na9 121.9(2) . .
Na5 O2W Na7 88.6(2) . 2_254
Na8 O3W Na1 119.5(2) . .
Na9 O4W Na1 91.67(18) . .
Na7 O5W Na1 111.0(2) . .
Na2 O6W Na4 91.3(4) . 1_566
Na2 O7W Na4 93.4(2) . 1_566
Na2 O8W Na3 82.8(2) . .
Na3 O9W Na6 82.55(19) . 2_255
Na2 O11W Na6 83.9(3) . 2_255
Na4 O13W Na5 82.8(2) . .
Na1 O16W Na9 96.4(2) . .
O1A Cl3 O1B 105.2(10) . .
Cl3 O1A O1B 119.6(12) . 2_165
O1A O1B Cl3 135.1(15) 2_165 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 N1 2.611(6) .
Gd1 N2 2.622(6) .
Gd1 O1 2.447(5) .
Gd1 O3 2.427(5) .
Gd1 O5 2.358(5) .
Gd1 O7 2.457(4) .
Gd1 O9 2.309(5) .
Gd1 O20 2.289(5) 2_154
Gd2 N3 2.611(6) .
Gd2 N4 2.592(6) .
Gd2 O11 2.358(5) .
Gd2 O13 2.365(5) .
Gd2 O15 2.363(5) .
Gd2 O17 2.372(5) .
Gd2 O19 2.312(5) .
Gd2 O21 2.366(5) 2_255
Na1 O5 2.434(6) .
Na1 O6 2.614(6) .
Na1 O22 3.019(13) 2_255
Na1 C6 2.850(8) .
Na1 O3W 2.487(6) .
Na1 O4W 2.496(7) .
Na1 O5W 2.430(6) .
Na1 O16W 2.366(6) .
Na2 O8 2.510(6) 2_155
Na2 O18 2.409(6) .
Na2 O6W 2.424(10) .
Na2 O7W 2.390(7) .
Na2 O8W 2.357(7) .
Na2 O11W 2.309(8) .
Na3 O8 2.456(6) 2_155
Na3 O16 2.325(5) 1_455
Na3 O18 2.415(5) .
Na3 O8W 2.520(6) .
Na3 O9W 2.404(6) .
Na3 O10W 2.444(6) .
Na4 O2 2.480(6) .
Na4 O14 2.361(6) 2_254
Na4 O6W 2.465(9) 1_544
Na4 O7W 2.416(7) 1_544
Na4 O13W 2.413(7) .
Na4 O15W 2.333(8) .
Na5 O2 2.402(6) .
Na5 O12 2.338(6) 2_154
Na5 O14 2.546(6) 2_254
Na5 O2W 2.358(6) .
Na5 O13W 2.439(7) .
Na5 O14W 2.407(7) .
Na6 O6 2.277(6) .
Na6 O8 2.400(6) 1_655
Na6 O18 2.408(6) 2_255
Na6 O9W 2.642(7) 2_255
Na6 O11W 2.505(8) 2_255
Na6 O12W 2.478(6) .
Na7 O2 2.484(5) 2_254
Na7 O4 2.451(6) 2_154
Na7 O14 2.541(6) .
Na7 O1W 2.359(6) .
Na7 O2W 2.394(6) 2_254
Na7 O5W 2.373(6) .
Na8 O11 2.453(6) .
Na8 O15 2.449(6) 2_255
Na8 O19 2.403(6) .
Na8 O21 2.587(6) 2_255
Na8 C16 3.097(8) 2_255
Na8 O3W 2.382(6) .
Na8 O17W 2.388(6) .
Na9 O1W 2.377(5) 2_254
Na9 O1W 2.377(5) .
Na9 O4W 2.451(5) .
Na9 O4W 2.451(5) 2_254
Na9 O16W 2.396(5) 2_254
Na9 O16W 2.396(5) .
P1 O9 1.529(5) .
P1 O10 1.524(5) .
P1 O20 1.532(5) .
P2 O19 1.506(5) .
P2 O21 1.515(5) .
P2 O22 1.429(11) .
P2 O22A 1.461(8) .
N1 C1 1.465(9) .
N1 C3 1.470(8) .
N1 C9 1.496(9) .
N2 C5 1.480(8) .
N2 C7 1.469(9) .
N2 C10 1.480(9) .
N3 C11 1.467(9) .
N3 C13 1.496(9) .
N3 C19 1.488(9) .
N4 C15 1.469(9) .
N4 C17 1.486(9) .
N4 C20 1.486(9) .
O1 C2 1.259(9) .
O2 Na7 2.484(5) 2_254
O2 C2 1.258(8) .
O3 C4 1.271(8) .
O4 Na7 2.451(6) 2_154
O4 C4 1.247(8) .
O5 C6 1.271(8) .
O6 C6 1.244(8) .
O7 C8 1.271(9) .
O8 Na2 2.510(6) 2_155
O8 Na3 2.456(6) 2_155
O8 Na6 2.400(6) 1_455
O8 C8 1.247(9) .
O11 C12 1.276(8) .
O12 Na5 2.338(6) 2_154
O12 C12 1.237(8) .
O20 Gd1 2.289(5) 2_154
O13 C14 1.280(9) .
O14 Na4 2.361(6) 2_254
O14 Na5 2.546(6) 2_254
O14 C14 1.233(8) .
O15 Na8 2.449(6) 2_255
O15 C16 1.262(9) .
O16 Na3 2.325(5) 1_655
O16 C16 1.228(9) .
O17 C18 1.268(9) .
O18 Na6 2.408(6) 2_255
O18 C18 1.243(9) .
O21 Gd2 2.366(5) 2_255
O21 Na8 2.587(6) 2_255
O22 Na1 3.019(13) 2_255
C1 C2 1.523(10) .
C3 C4 1.530(10) .
C5 C6 1.534(10) .
C7 C8 1.518(10) .
C9 C10 1.503(10) .
C11 C12 1.525(10) .
C13 C14 1.515(10) .
C15 C16 1.540(10) .
C16 Na8 3.097(8) 2_255
C17 C18 1.529(10) .
C19 C20 1.530(10) .
O2W Na7 2.394(6) 2_254
O6W Na4 2.465(9) 1_566
O7W Na4 2.416(7) 1_566
O9W Na6 2.642(7) 2_255
O11W Na6 2.505(8) 2_255
O20W O20W 1.202(11) 2_155
Cl3 O1A 1.358(18) .
Cl3 O1B 1.67(2) .
O1C O1E 0.95(2) .
O1A O1B 1.40(3) 2_165
O1B O1A 1.40(3) 2_165
