#------------------------------------------------------------------------------
#$Date: 2019-11-24 05:21:35 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236820 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/21/7702170.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_7702170
loop_
_publ_author_name
'Benmansour, Samia'
'Pérez-Herráez, Irene'
'Cerezo-Navarrete, Christian'
'López-Martínez, Gustavo'
'Martínez Hernández, Cristian'
'Gómez-García, Carlos J'
_publ_section_title
;
 Solvent-modulation of the structure and dimensionality in
 lanthanoid-anilato coordination polymers.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6729
_journal_page_last               6741
_journal_paper_doi               10.1039/c8dt00143j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C47 H33 Cl12 Er4 N6 O32 P2, H4 O2'
_chemical_formula_sum            'C47 H37 Cl12 Er4 N6 O34 P2'
_chemical_formula_weight         2386.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-03-09 deposited with the CCDC.
2018-04-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.245(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6764(2)
_cell_length_b                   16.2641(3)
_cell_length_c                   24.5721(4)
_cell_measurement_reflns_used    3998
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      24.9270
_cell_measurement_theta_min      4.0490
_cell_volume                     3864.14(12)
_computing_data_collection       'CrysAlisPro 1.171.38.41q (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'SuperNova, Single source at offset, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            7480
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.038
_diffrn_reflns_theta_min         3.319
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    4.842
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41q (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.051
_exptl_crystal_description       Hexagonalplate
_exptl_crystal_F_000             2278
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.902
_refine_diff_density_min         -2.785
_refine_diff_density_rms         0.299
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.364
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         3545
_refine_ls_number_restraints     771
_refine_ls_restrained_S_all      1.235
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0714
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+413.0208P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1757
_refine_ls_wR_factor_ref         0.1777
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3281
_reflns_number_total             3545
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt00143j2.cif
_cod_data_source_block           shelx_Sam_CC99
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_database_code               7702170
_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   0.643
_shelx_estimated_absorpt_t_max   0.953
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
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
Er1 Er 0.43481(7) 0.5000 0.10634(3) 0.01105(14) Uani 1 2 d DS TU P . .
O1W O 0.3022(10) 0.5000 0.0243(4) 0.0136(9) Uani 1 2 d S TU P A .
O1D O 0.2545(10) 0.5000 0.1569(4) 0.0147(7) Uani 1 2 d S TU P A .
O2 O 0.5990(11) 0.5856(5) 0.0656(5) 0.0114(10) Uani 0.55 1 d D U P A 1
O3 O 0.3561(11) 0.6396(5) 0.0899(5) 0.0123(9) Uani 0.55 1 d D U P A 1
Er2 Er 0.79996(7) 0.5000 0.42801(3) 0.01169(15) Uani 1 2 d S TU P . .
O2W O 0.5598(11) 0.5000 0.4331(4) 0.0185(13) Uani 1 2 d S TU P . .
O3W O 0.7959(11) 0.5000 0.5226(4) 0.0162(17) Uani 1 2 d S TU P . .
C1 C 0.6750(12) 0.7193(6) 0.0428(7) 0.0122(8) Uani 0.45 1 d D U P A 2
Cl1 Cl 0.8472(5) 0.6856(3) 0.0352(2) 0.0226(10) Uani 0.55 1 d D U P A 1
C2 C 0.5844(11) 0.6638(6) 0.0663(6) 0.0105(9) Uani 0.55 1 d D U P A 1
C3 C 0.4413(11) 0.6944(6) 0.0809(7) 0.0119(10) Uani 0.55 1 d D U P A 1
C4 C 0.4141(11) 0.7801(6) 0.0810(6) 0.0104(11) Uani 0.55 1 d D U P A 1
Cl4 Cl 0.2526(5) 0.8141(3) 0.0977(2) 0.0224(10) Uani 0.55 1 d D U P A 1
C5 C 0.5158(11) 0.8358(6) 0.0706(6) 0.0109(10) Uani 0.55 1 d D U P A 1
C6 C 0.6562(12) 0.8048(6) 0.0513(8) 0.0118(8) Uani 0.45 1 d D U P A 2
O5 O 0.5051(13) 0.9143(6) 0.0701(5) 0.0113(17) Uani 0.55 1 d D U P A 1
O6 O 0.7465(11) 0.8601(6) 0.0462(5) 0.0084(12) Uani 0.55 1 d D U P A 1
C11 C 0.65574(5) 0.58464(12) 0.26186(5) 0.0178(8) Uani 0.5 1 d G U P A -1
C16A C 0.69154(7) 0.54305(12) 0.30978(5) 0.0117(8) Uani 0.5 1 d G U P A -1
C16B C 0.66072(9) 0.45997(12) 0.31473(7) 0.0254(8) Uani 0.5 1 d G U P A -1
C11' C 0.59412(9) 0.41849(12) 0.27175(8) 0.0172(8) Uani 0.5 1 d G U P A -1
C12B C 0.55832(8) 0.46009(13) 0.22384(7) 0.0259(8) Uani 0.5 1 d G U P A -1
C12A C 0.58913(6) 0.54317(13) 0.21889(5) 0.0137(8) Uani 0.5 1 d G U P A -1
Cl12 Cl 0.69311(11) 0.6883(2) 0.25480(9) 0.0312(12) Uani 0.5 1 d . U P A -1
O12B O 0.49429(5) 0.42083(12) 0.18230(5) 0.0161(8) Uani 0.5 1 d . U P A -1
P1D P 0.1221(4) 0.5000 0.18610(17) 0.0179(5) Uani 1 2 d S TU P . .
O11W O 0.0000 0.8714(8) 0.0000 0.040(4) Uani 1 2 d S T P . .
H11A H -0.0503 0.8348 -0.0173 0.061 Uiso 0.5 1 d R U P . .
H11B H -0.0298 0.8712 0.0330 0.061 Uiso 0.5 1 d R U P . .
O12A O 0.55243(5) 0.57763(12) 0.17295(5) 0.0127(8) Uani 0.5 1 d . U P A -1
O16A O 0.75355(12) 0.5792(3) 0.35073(10) 0.0118(8) Uani 0.5 1 d . U P A -1
O16B O 0.69403(12) 0.4213(3) 0.35927(10) 0.0176(9) Uani 0.5 1 d . U P A -1
Cl11 Cl 0.55353(11) 0.3092(2) 0.27831(9) 0.0272(11) Uani 0.5 1 d . U P A -1
O2A O 0.5803(13) 0.5863(6) 0.0561(5) 0.0123(9) Uani 0.45 1 d D U P A 2
O3A O 0.3610(12) 0.6421(6) 0.1029(6) 0.0122(8) Uani 0.45 1 d D U P A 2
C1A C 0.6807(11) 0.7202(6) 0.0537(6) 0.0094(10) Uani 0.55 1 d D U P A 1
Cl1A Cl 0.8203(5) 0.6896(3) 0.0142(2) 0.0143(9) Uani 0.45 1 d D U P A 2
C2A C 0.5739(12) 0.6645(6) 0.0619(7) 0.0119(7) Uani 0.45 1 d D U P A 2
C3A C 0.4442(12) 0.6956(6) 0.0890(7) 0.0109(8) Uani 0.45 1 d D U P A 2
C4A C 0.4228(12) 0.7813(6) 0.0947(7) 0.0137(9) Uani 0.45 1 d D U P A 2
Cl4A Cl 0.2707(6) 0.8146(4) 0.1218(3) 0.0318(11) Uani 0.45 1 d D U P A 2
C5A C 0.5197(12) 0.8370(7) 0.0793(7) 0.0110(8) Uani 0.45 1 d D U P A 2
C6A C 0.6568(11) 0.8062(6) 0.0569(6) 0.0095(10) Uani 0.55 1 d D U P A 1
O5A O 0.5123(15) 0.9154(6) 0.0831(6) 0.0110(16) Uani 0.45 1 d D U P A 2
O6A O 0.7317(13) 0.8615(8) 0.0370(6) 0.0114(11) Uani 0.45 1 d D U P A 2
N2 N -0.0036(15) 0.4571(4) 0.1517(3) 0.0203(7) Uani 0.5 1 d D U P A -1
N3 N 0.1512(7) 0.4464(5) 0.2446(3) 0.0212(6) Uani 0.5 1 d D U P A -1
N4 N 0.0681(5) 0.5912(5) 0.1987(6) 0.0200(9) Uani 0.5 1 d D U P A -1
C7 C 0.2458(8) 0.3753(5) 0.2450(5) 0.0214(7) Uani 0.5 1 d D U P A -1
H7A H 0.2775 0.3660 0.2081 0.032 Uiso 0.5 1 calc R U P A -1
H7B H 0.1972 0.3264 0.2574 0.032 Uiso 0.5 1 calc R U P A -1
H7C H 0.3256 0.3865 0.2697 0.032 Uiso 0.5 1 calc R U P A -1
C3AA C -0.0790(5) 0.6130(10) 0.2028(11) 0.040(3) Uani 0.5 1 d D U P A -1
H3AA H -0.1349 0.5627 0.2026 0.061 Uiso 0.5 1 calc R U P A -1
H3AB H -0.1080 0.6476 0.1717 0.061 Uiso 0.5 1 calc R U P A -1
H3AC H -0.0919 0.6431 0.2367 0.061 Uiso 0.5 1 calc R U P A -1
C4AA C 0.0654(8) 0.4545(8) 0.2926(3) 0.0408(15) Uani 0.5 1 d D U P A -1
H4AA H 0.1243 0.4690 0.3245 0.061 Uiso 0.5 1 calc R U P A -1
H4AB H 0.0187 0.4022 0.2992 0.061 Uiso 0.5 1 calc R U P A -1
H4AC H -0.0038 0.4977 0.2859 0.061 Uiso 0.5 1 calc R U P A -1
C2AA C -0.040(2) 0.3694(3) 0.1538(5) 0.0376(18) Uani 0.5 1 d D U P A -1
H2AA H 0.0079 0.3397 0.1254 0.056 Uiso 0.5 1 calc R U P A -1
H2AB H -0.1400 0.3630 0.1479 0.056 Uiso 0.5 1 calc R U P A -1
H2AC H -0.0116 0.3471 0.1896 0.056 Uiso 0.5 1 calc R U P A -1
C0AA C -0.039(2) 0.5000 0.1002(3) 0.0210(14) Uani 0.5 2 d DS TU P . .
H0AB H -0.0290 0.5594 0.1055 0.031 Uiso 0.25 1 calc R U P A -1
H0AC H -0.1351 0.4874 0.0888 0.031 Uiso 0.25 1 calc R U P A -1
H0AA H 0.0227 0.4816 0.0720 0.031 Uiso 0.25 1 calc R U P A -1
C8 C 0.1675(7) 0.6562(5) 0.2152(8) 0.0258(17) Uani 0.5 1 d D U P A -1
H8A H 0.1662 0.6642 0.2547 0.039 Uiso 0.5 1 calc R U P A -1
H8B H 0.1416 0.7077 0.1967 0.039 Uiso 0.5 1 calc R U P A -1
H8C H 0.2606 0.6400 0.2051 0.039 Uiso 0.5 1 calc R U P A -1
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'
Er Er -0.2586 4.9576 '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'
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
O1D Er1 O12B 73.8(2) . .
O1D Er1 O12A 88.8(2) . .
O12B Er1 O12A 68.69(6) . .
O1D Er1 O1W 93.8(4) . .
O12B Er1 O1W 143.20(10) . .
O12A Er1 O1W 147.09(5) . .
O1D Er1 O2 143.8(2) . 6_565
O12B Er1 O2 82.2(3) . 6_565
O12A Er1 O2 107.4(3) . 6_565
O1W Er1 O2 89.4(3) . 6_565
O1D Er1 O2 143.8(2) . .
O12B Er1 O2 121.2(3) . .
O12A Er1 O2 70.2(3) . .
O1W Er1 O2 89.4(3) . .
O2 Er1 O2 72.1(5) 6_565 .
O1D Er1 O2A 143.3(3) . .
O1W Er1 O2A 82.4(4) . .
O1D Er1 O2A 143.3(3) . 6_565
O1W Er1 O2A 82.4(4) . 6_565
O2A Er1 O2A 72.6(5) . 6_565
O1D Er1 O3A 77.2(3) . 6_565
O1W Er1 O3A 79.6(3) . 6_565
O2A Er1 O3A 136.7(4) . 6_565
O2A Er1 O3A 66.2(4) 6_565 6_565
O1D Er1 O3A 77.2(3) . .
O1W Er1 O3A 79.6(3) . .
O2A Er1 O3A 66.2(4) . .
O2A Er1 O3A 136.7(4) 6_565 .
O3A Er1 O3A 145.6(6) 6_565 .
O1D Er1 O3 80.9(3) . 6_565
O12B Er1 O3 71.4(3) . 6_565
O12A Er1 O3 140.1(3) . 6_565
O1W Er1 O3 72.5(3) . 6_565
O2 Er1 O3 65.8(3) 6_565 6_565
O2 Er1 O3 133.9(4) . 6_565
O1D Er1 O3 80.9(3) . .
O12B Er1 O3 136.0(3) . .
O12A Er1 O3 75.6(3) . .
O1W Er1 O3 72.5(3) . .
O2 Er1 O3 133.9(4) 6_565 .
O2 Er1 O3 65.8(3) . .
O3 Er1 O3 139.0(5) 6_565 .
P1D O1D Er1 174.1(7) . .
C2 O2 Er1 120.1(8) . .
C3 O3 Er1 119.8(8) . .
O5A Er2 O5A 73.4(6) 7_665 4_645
O16A Er2 O16B 69.27(13) . .
O5A Er2 O3W 99.4(4) 7_665 .
O5A Er2 O3W 99.4(4) 4_645 .
O16A Er2 O3W 143.73(12) . .
O16B Er2 O3W 134.56(19) . .
O5A Er2 O2W 143.0(3) 7_665 .
O5A Er2 O2W 143.0(3) 4_645 .
O16A Er2 O2W 83.3(2) . .
O16B Er2 O2W 68.1(2) . .
O3W Er2 O2W 83.7(4) . .
O16A Er2 O5 79.4(3) . 7_665
O16B Er2 O5 132.3(3) . 7_665
O3W Er2 O5 91.5(4) . 7_665
O2W Er2 O5 143.3(3) . 7_665
O16A Er2 O5 118.4(3) . 4_645
O16B Er2 O5 91.1(3) . 4_645
O3W Er2 O5 91.5(4) . 4_645
O2W Er2 O5 143.3(3) . 4_645
O5 Er2 O5 72.9(5) 7_665 4_645
O16A Er2 O6 70.1(3) . 7_665
O16B Er2 O6 129.0(3) . 7_665
O3W Er2 O6 74.1(3) . 7_665
O2W Er2 O6 77.8(2) . 7_665
O5 Er2 O6 65.9(3) 7_665 7_665
O5 Er2 O6 135.6(4) 4_645 7_665
O16A Er2 O6 134.9(3) . 4_645
O16B Er2 O6 65.8(3) . 4_645
O3W Er2 O6 74.1(3) . 4_645
O2W Er2 O6 77.8(2) . 4_645
O5 Er2 O6 135.6(4) 7_665 4_645
O5 Er2 O6 65.9(3) 4_645 4_645
O6 Er2 O6 141.7(5) 7_665 4_645
O5A Er2 O6A 66.4(4) 7_665 7_665
O5A Er2 O6A 134.9(4) 4_645 7_665
O3W Er2 O6A 68.9(3) . 7_665
O2W Er2 O6A 80.9(3) . 7_665
O5A Er2 O6A 134.9(4) 7_665 4_645
O5A Er2 O6A 66.4(4) 4_645 4_645
O3W Er2 O6A 68.9(3) . 4_645
O2W Er2 O6A 80.9(3) . 4_645
O6A Er2 O6A 135.4(6) 7_665 4_645
C2A C1 C6 118.2(11) . .
C2A C1 Cl1A 124.2(9) . .
C6 C1 Cl1A 117.5(9) . .
O2 C2 C1A 126.4(10) . .
O2 C2 C3 115.4(9) . .
C1A C2 C3 118.1(9) . .
O3 C3 C4 125.6(10) . .
O3 C3 C2 115.0(9) . .
C4 C3 C2 119.4(9) . .
C5 C4 C3 121.1(9) . .
C5 C4 Cl4 119.8(8) . .
C3 C4 Cl4 119.1(8) . .
O5 C5 C4 127.1(10) . .
O5 C5 C6A 113.1(10) . .
C4 C5 C6A 119.8(9) . .
O6A C6 C1 127.5(13) . .
O6A C6 C5A 112.6(10) . .
C1 C6 C5A 119.8(10) . .
C5 O5 Er2 121.8(9) . 7_665
C6A O6 Er2 117.6(8) . 7_665
C16A C11 C12A 120.0 . .
C16A C11 Cl12 120.79(9) . .
C12A C11 Cl12 119.21(9) . .
O16A C16A C16B 117.9(2) . .
O16A C16A C11 122.1(2) . .
C16B C16A C11 120.0 . .
O16B C16B C11' 119.99(19) . .
O16B C16B C16A 120.01(19) . .
C11' C16B C16A 120.0 . .
C16B C11' C12B 120.0 . .
C16B C11' Cl11 119.97(12) . .
C12B C11' Cl11 120.03(12) . .
O12B C12B C12A 119.51(15) . .
O12B C12B C11' 120.49(15) . .
C12A C12B C11' 120.0 . .
O12A C12A C12B 116.34(12) . .
O12A C12A C11 123.66(12) . .
C12B C12A C11 120.0 . .
C12B O12B Er1 116.25(15) . .
O1D P1D N4 112.6(4) . .
O1D P1D N2 113.0(6) . .
N4 P1D N2 104.8(5) . .
O1D P1D N3 106.9(4) . .
N4 P1D N3 110.8(6) . .
N2 P1D N3 108.6(4) . .
C12A O12A Er1 119.14(14) . .
C16A O16A Er2 116.9(3) . .
C16B O16B Er2 115.8(3) . .
C2A O2A Er1 119.8(9) . .
C3A O3A Er1 119.1(8) . .
C2 C1A C6A 122.7(10) . .
C2 C1A Cl1 118.8(8) . .
C6A C1A Cl1 118.4(8) . .
O2A C2A C1 123.4(11) . .
O2A C2A C3A 114.9(10) . .
C1 C2A C3A 121.7(9) . .
O3A C3A C4A 124.3(11) . .
O3A C3A C2A 116.1(10) . .
C4A C3A C2A 119.6(10) . .
C5A C4A C3A 121.3(11) . .
C5A C4A Cl4A 120.2(9) . .
C3A C4A Cl4A 118.5(9) . .
O5A C5A C4A 126.7(12) . .
O5A C5A C6 114.0(11) . .
C4A C5A C6 119.2(9) . .
O6 C6A C1A 123.7(10) . .
O6 C6A C5 117.4(9) . .
C1A C6A C5 118.8(9) . .
C5A O5A Er2 122.7(10) . 7_665
C6 O6A Er2 120.3(10) . 7_665
C2AA N2 C0AA 116.2(8) . .
C2AA N2 P1D 125.2(9) . .
C0AA N2 P1D 113.1(9) . .
C7 N3 C4AA 115.8(7) . .
C7 N3 P1D 119.4(7) . .
C4AA N3 P1D 123.5(6) . .
C3AA N4 C8 115.5(8) . .
C3AA N4 P1D 123.9(8) . .
C8 N4 P1D 120.1(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O1D 2.181(10) .
Er1 O12B 2.3213(16) .
Er1 O12A 2.3286(14) .
Er1 O1W 2.348(10) .
Er1 O2 2.365(9) 6_565
Er1 O2 2.365(9) .
Er1 O2A 2.369(11) .
Er1 O2A 2.369(11) 6_565
Er1 O3A 2.419(10) 6_565
Er1 O3A 2.419(10) .
Er1 O3 2.423(9) 6_565
Er1 O3 2.423(9) .
O1D P1D 1.493(11) .
O2 C2 1.281(12) .
O3 C3 1.241(13) .
Er2 O5A 2.304(14) 7_665
Er2 O5A 2.304(13) 4_645
Er2 O16A 2.324(3) .
Er2 O16B 2.325(3) .
Er2 O3W 2.327(10) .
Er2 O2W 2.332(10) .
Er2 O5 2.344(11) 7_665
Er2 O5 2.344(11) 4_645
Er2 O6 2.409(11) 7_665
Er2 O6 2.409(11) 4_645
Er2 O6A 2.435(13) 7_665
Er2 O6A 2.435(13) 4_645
C1 C2A 1.416(17) .
C1 C6 1.418(14) .
C1 Cl1A 1.669(13) .
Cl1 C1A 1.783(12) .
C2 C1A 1.353(15) .
C2 C3 1.528(13) .
C3 C4 1.417(13) .
C4 C5 1.369(13) .
C4 Cl4 1.723(11) .
C5 O5 1.281(13) .
C5 C6A 1.498(15) .
C6 O6A 1.238(18) .
C6 C5A 1.601(18) .
O5 Er2 2.344(11) 7_665
O6 C6A 1.268(15) .
O6 Er2 2.409(11) 7_665
C11 C16A 1.3900 .
C11 C12A 1.3900 .
C11 Cl12 1.735(4) .
C16A O16A 1.293(3) .
C16A C16B 1.3900 .
C16B O16B 1.292(4) .
C16B C11' 1.3900 .
C11' C12B 1.3900 .
C11' Cl11 1.829(4) .
C12B O12B 1.3356(18) .
C12B C12A 1.3900 .
C12A O12A 1.297(2) .
P1D N4 1.606(9) .
P1D N2 1.613(12) .
P1D N3 1.696(9) .
O2A C2A 1.283(13) .
O3A C3A 1.243(14) .
C1A C6A 1.419(13) .
C2A C3A 1.529(15) .
C3A C4A 1.417(13) .
C4A C5A 1.367(14) .
C4A Cl4A 1.726(12) .
C5A O5A 1.281(14) .
O5A Er2 2.304(13) 7_665
O6A Er2 2.435(13) 7_665
N2 C2AA 1.471(7) .
N2 C0AA 1.473(7) .
N3 C7 1.473(7) .
N3 C4AA 1.474(7) .
N4 C3AA 1.474(7) .
N4 C8 1.476(8) .
