#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:53:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179429 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/26/4332624.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332624
loop_
_publ_author_name
'Chen, Banglin'
'Yang, Yu'
'Zapata, Fatima'
'Qian, Guodong'
'Luo, Yongshi'
'Zhang, Jiahua'
'Lobkovsky, Emil B.'
_publ_section_title
;
 Enhanced Near-Infrared−Luminescence in an Erbium
 Tetrafluoroterephthalate Framework
;
_journal_issue                   22
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8882
_journal_page_last               8886
_journal_paper_doi               10.1021/ic060568u
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C37 H9 Er2 F12 N O14'
_chemical_formula_sum            'C30 H16 Er2 F12 N2 O15'
_chemical_formula_weight         1206.97
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.633(7)
_cell_angle_beta                 99.920(6)
_cell_angle_gamma                101.351(6)
_cell_formula_units_Z            2
_cell_length_a                   11.6710(18)
_cell_length_b                   11.8916(19)
_cell_length_c                   14.305(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1757.4(5)
_computing_cell_refinement       SAINT+
_computing_data_collection       APEX2
_computing_data_reduction        SAINT+
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker X8 APEX II diffractomreter'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34644
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    4.882
_exptl_absorpt_correction_T_max  0.5279
_exptl_absorpt_correction_T_min  0.3221
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.281
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1148
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.925
_refine_diff_density_min         -1.684
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         9527
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0266
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0168P)²+13.8967P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0768
_reflns_number_gt                8430
_reflns_number_total             9527
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060568usup2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332624
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Er1 Er 0.098477(15) -0.027803(15) 0.104693(13) 0.00879(5) Uani 1 1 d .
Er2 Er -0.584297(16) 0.081603(16) 0.430754(13) 0.00962(5) Uani 1 1 d .
F1 F 0.3470(3) 0.3562(3) 0.1046(3) 0.0295(7) Uani 1 1 d .
F2 F 0.4696(3) 0.5952(3) 0.2148(2) 0.0248(6) Uani 1 1 d .
F3 F 0.1231(3) 0.6724(3) 0.3225(2) 0.0250(6) Uani 1 1 d .
F4 F 0.0015(3) 0.4315(3) 0.2140(2) 0.0254(6) Uani 1 1 d .
F5 F -0.2211(3) 0.1869(3) 0.1309(3) 0.0288(7) Uani 1 1 d .
F6 F -0.4384(3) 0.2070(3) 0.1550(3) 0.0313(7) Uani 1 1 d .
F7 F -0.5402(3) -0.1993(3) 0.1453(3) 0.0281(7) Uani 1 1 d .
F8 F -0.3269(3) -0.2240(3) 0.1152(3) 0.0262(7) Uani 1 1 d .
F9 F 0.0648(3) 0.2896(3) 0.4334(3) 0.0307(7) Uani 1 1 d .
F10 F -0.1527(3) 0.3004(3) 0.4595(3) 0.0280(7) Uani 1 1 d .
F11 F -0.2701(3) -0.1378(2) 0.3603(2) 0.0210(6) Uani 1 1 d .
F12 F -0.0478(3) -0.1431(3) 0.3449(2) 0.0217(6) Uani 1 1 d .
O1 O 0.1509(3) 0.1813(3) 0.1335(3) 0.0200(7) Uani 1 1 d .
O2 O 0.0159(3) 0.2177(3) 0.0229(2) 0.0169(6) Uani 1 1 d .
O3 O 0.3346(3) 0.8614(3) 0.3330(2) 0.0112(5) Uani 1 1 d .
O4 O 0.4612(3) 0.7778(3) 0.4091(2) 0.0173(6) Uani 1 1 d .
O5 O -0.0918(3) -0.0887(3) 0.1532(3) 0.0178(6) Uani 1 1 d .
O6 O -0.0917(3) 0.0185(3) 0.0568(2) 0.0133(6) Uani 1 1 d .
O7 O -0.7020(3) -0.0065(3) 0.0971(3) 0.0205(7) Uani 1 1 d .
O8 O -0.6182(3) 0.0464(3) 0.2631(3) 0.0201(7) Uani 1 1 d .
O9 O 0.1377(3) 0.0803(3) 0.2782(2) 0.0178(6) Uani 1 1 d .
O10 O 0.2117(3) 0.0491(3) 0.4190(3) 0.0177(6) Uani 1 1 d .
O11 O -0.4062(3) 0.0073(3) 0.4486(2) 0.0127(6) Uani 1 1 d .
O12 O -0.3875(3) 0.1665(3) 0.4042(3) 0.0208(7) Uani 1 1 d .
O13 O -0.6142(3) 0.2716(3) 0.4488(3) 0.0213(7) Uani 1 1 d .
O14 O 0.1410(3) -0.1731(3) 0.1655(3) 0.0200(7) Uani 1 1 d .
H14A H 0.182(7) -0.166(6) 0.212(5) 0.027(18) Uiso 1 1 d .
H14B H 0.084(9) -0.243(9) 0.152(7) 0.07(3) Uiso 1 1 d .
N1 N -0.6511(5) 0.4571(4) 0.5276(4) 0.0285(10) Uani 1 1 d .
C1 C 0.1051(4) 0.2498(4) 0.0985(3) 0.0148(8) Uani 1 1 d .
C2 C 0.1702(4) 0.3879(4) 0.1547(3) 0.0155(8) Uani 1 1 d .
C3 C 0.2893(4) 0.4333(4) 0.1571(4) 0.0176(9) Uani 1 1 d .
C4 C 0.3532(4) 0.5570(4) 0.2135(3) 0.0159(8) Uani 1 1 d .
C5 C 0.2982(4) 0.6415(4) 0.2702(3) 0.0142(8) Uani 1 1 d .
C6 C 0.1782(4) 0.5964(4) 0.2662(3) 0.0159(8) Uani 1 1 d .
C7 C 0.1152(4) 0.4715(4) 0.2099(3) 0.0152(8) Uani 1 1 d .
C8 C 0.3719(4) 0.7718(4) 0.3431(3) 0.0131(8) Uani 1 1 d .
C9 C -0.1438(4) -0.0327(4) 0.1089(3) 0.0129(8) Uani 1 1 d .
C10 C -0.2661(4) -0.0201(4) 0.1203(3) 0.0136(8) Uani 1 1 d .
C11 C -0.2990(4) 0.0883(4) 0.1305(4) 0.0165(8) Uani 1 1 d .
C12 C -0.4115(4) 0.0998(4) 0.1445(4) 0.0169(8) Uani 1 1 d .
C13 C -0.4944(4) 0.0042(4) 0.1499(3) 0.0139(8) Uani 1 1 d .
C14 C -0.4622(4) -0.1039(4) 0.1399(4) 0.0169(8) Uani 1 1 d .
C15 C -0.3509(4) -0.1161(4) 0.1254(3) 0.0150(8) Uani 1 1 d .
C16 C -0.6144(4) 0.0168(4) 0.1721(3) 0.0126(7) Uani 1 1 d .
C17 C 0.1312(4) 0.0658(4) 0.3590(3) 0.0134(8) Uani 1 1 d .
C18 C 0.0141(4) 0.0731(4) 0.3875(3) 0.0136(8) Uani 1 1 d .
C19 C -0.0170(4) 0.1836(4) 0.4172(4) 0.0169(8) Uani 1 1 d .
C20 C -0.1305(4) 0.1893(4) 0.4295(4) 0.0169(8) Uani 1 1 d .
C21 C -0.2203(4) 0.0818(4) 0.4128(3) 0.0143(8) Uani 1 1 d .
C22 C -0.1877(4) -0.0296(4) 0.3840(3) 0.0139(8) Uani 1 1 d .
C23 C -0.0735(4) -0.0332(4) 0.3738(3) 0.0149(8) Uani 1 1 d .
C24 C -0.3433(4) 0.0875(4) 0.4230(3) 0.0135(8) Uani 1 1 d .
C25 C -0.6165(5) 0.3588(5) 0.5279(4) 0.0238(10) Uani 1 1 d .
H25A H -0.5916 0.3536 0.5927 0.029 Uiso 1 1 calc R
C26 C -0.6952(6) 0.4722(6) 0.4340(5) 0.0364(14) Uani 1 1 d .
H26A H -0.6957 0.3988 0.3743 0.055 Uiso 1 1 calc R
H26B H -0.6422 0.5474 0.4344 0.055 Uiso 1 1 calc R
H26C H -0.7776 0.4805 0.4293 0.055 Uiso 1 1 calc R
C27 C -0.6471(10) 0.5561(7) 0.6239(6) 0.065(3) Uani 1 1 d .
H27A H -0.6163 0.5352 0.6821 0.097 Uiso 1 1 calc R
H27B H -0.7288 0.5651 0.6237 0.097 Uiso 1 1 calc R
H27C H -0.5935 0.6349 0.6311 0.097 Uiso 1 1 calc R
O1S O -0.0237(4) -0.3835(4) 0.1100(4) 0.0445(12) Uani 1 1 d .
N1S N -0.2152(5) -0.4975(5) 0.0792(4) 0.0329(11) Uani 1 1 d .
C1S C -0.1279(6) -0.3929(5) 0.1216(5) 0.0348(13) Uani 1 1 d .
H1SA H -0.1450 -0.3198 0.1640 0.042 Uiso 1 1 calc R
C2S C -0.3343(8) -0.5066(9) 0.0968(9) 0.070(3) Uani 1 1 d .
H2SA H -0.3362 -0.4250 0.1451 0.104 Uiso 1 1 calc R
H2SB H -0.3528 -0.5688 0.1263 0.104 Uiso 1 1 calc R
H2SC H -0.3946 -0.5321 0.0310 0.104 Uiso 1 1 calc R
C3S C -0.1952(6) -0.6080(6) 0.0102(5) 0.0391(14) Uani 1 1 d .
H3SA H -0.1115 -0.5896 0.0051 0.059 Uiso 1 1 calc R
H3SB H -0.2509 -0.6364 -0.0585 0.059 Uiso 1 1 calc R
H3SC H -0.2097 -0.6737 0.0366 0.059 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O9 Er1 O14 78.56(13) . .
O9 Er1 O2 139.84(12) . 2
O14 Er1 O2 75.04(12) . 2
O9 Er1 O1 73.76(12) . .
O14 Er1 O1 144.72(12) . .
O2 Er1 O1 139.73(11) 2 .
O9 Er1 O7 97.10(12) . 1_655
O14 Er1 O7 80.14(13) . 1_655
O2 Er1 O7 107.43(13) 2 1_655
O1 Er1 O7 82.01(13) . 1_655
O9 Er1 O6 146.94(11) . 2
O14 Er1 O6 130.93(12) . 2
O2 Er1 O6 71.11(11) 2 2
O1 Er1 O6 73.20(11) . 2
O7 Er1 O6 77.39(11) 1_655 2
O9 Er1 O6 96.92(11) . .
O14 Er1 O6 130.98(12) . .
O2 Er1 O6 78.85(11) 2 .
O1 Er1 O6 74.51(11) . .
O7 Er1 O6 147.96(11) 1_655 .
O6 Er1 O6 75.16(11) 2 .
O9 Er1 O5 73.39(11) . .
O14 Er1 O5 80.03(12) . .
O2 Er1 O5 72.65(12) 2 .
O1 Er1 O5 111.67(12) . .
O7 Er1 O5 159.37(11) 1_655 .
O6 Er1 O5 120.57(10) 2 .
O6 Er1 O5 52.64(10) . .
O9 Er1 C9 83.47(12) . .
O14 Er1 C9 105.53(13) . .
O2 Er1 C9 75.22(12) 2 .
O1 Er1 C9 92.72(13) . .
O7 Er1 C9 174.28(12) 1_655 .
O6 Er1 C9 99.01(12) 2 .
O6 Er1 C9 26.73(11) . .
O5 Er1 C9 25.96(11) . .
O9 Er1 Er1 126.57(9) . 2
O14 Er1 Er1 145.79(9) . 2
O2 Er1 Er1 71.06(8) 2 2
O1 Er1 Er1 69.48(8) . 2
O7 Er1 Er1 114.22(8) 1_655 2
O6 Er1 Er1 38.44(7) 2 2
O6 Er1 Er1 36.72(7) . 2
O5 Er1 Er1 85.66(7) . 2
C9 Er1 Er1 61.47(9) . 2
O8 Er2 O13 83.90(13) . .
O8 Er2 O10 90.74(12) . 1_455
O13 Er2 O10 76.69(12) . 1_455
O8 Er2 O4 141.16(13) . 2_566
O13 Er2 O4 74.16(12) . 2_566
O10 Er2 O4 114.05(12) 1_455 2_566
O8 Er2 O11 146.09(12) . 2_456
O13 Er2 O11 125.62(12) . 2_456
O10 Er2 O11 81.88(11) 1_455 2_456
O4 Er2 O11 70.23(11) 2_566 2_456
O8 Er2 O3 72.09(12) . 1_445
O13 Er2 O3 143.70(11) . 1_445
O10 Er2 O3 76.81(11) 1_455 1_445
O4 Er2 O3 140.19(11) 2_566 1_445
O11 Er2 O3 74.00(10) 2_456 1_445
O8 Er2 O11 98.45(11) . .
O13 Er2 O11 133.95(12) . .
O10 Er2 O11 148.58(11) 1_455 .
O4 Er2 O11 76.15(11) 2_566 .
O11 Er2 O11 73.75(12) 2_456 .
O3 Er2 O11 77.61(10) 1_445 .
O8 Er2 O12 73.49(12) . .
O13 Er2 O12 84.76(12) . .
O10 Er2 O12 156.90(11) 1_455 .
O4 Er2 O12 72.93(12) 2_566 .
O11 Er2 O12 120.58(11) 2_456 .
O3 Er2 O12 112.71(11) 1_445 .
O11 Er2 O12 53.02(10) . .
O8 Er2 C24 84.90(12) . .
O13 Er2 C24 109.44(13) . .
O10 Er2 C24 171.97(12) 1_455 .
O4 Er2 C24 73.20(12) 2_566 .
O11 Er2 C24 98.02(12) 2_456 .
O3 Er2 C24 95.41(11) 1_445 .
O11 Er2 C24 26.98(11) . .
O12 Er2 C24 26.05(11) . .
O8 Er2 Er2 127.01(9) . 2_456
O13 Er2 Er2 143.05(9) . 2_456
O10 Er2 Er2 117.23(8) 1_455 2_456
O4 Er2 Er2 68.92(8) 2_566 2_456
O11 Er2 Er2 37.74(7) 2_456 2_456
O3 Er2 Er2 72.21(7) 1_445 2_456
O11 Er2 Er2 36.01(7) . 2_456
O12 Er2 Er2 85.87(8) . 2_456
C24 Er2 Er2 61.13(9) . 2_456
C1 O1 Er1 135.8(3) . .
C1 O2 Er1 133.5(3) . 2
C8 O3 Er2 129.7(3) . 1_665
C8 O4 Er2 138.3(3) . 2_566
C9 O5 Er1 92.6(3) . .
C9 O6 Er1 146.7(3) . 2
C9 O6 Er1 94.2(3) . .
Er1 O6 Er1 104.84(11) 2 .
C16 O7 Er1 124.8(3) . 1_455
C16 O8 Er2 165.5(3) . .
C17 O9 Er1 141.9(3) . .
C17 O10 Er2 129.6(3) . 1_655
C24 O11 Er2 146.5(3) . 2_456
C24 O11 Er2 94.1(2) . .
Er2 O11 Er2 106.25(12) 2_456 .
C24 O12 Er2 93.1(3) . .
C25 O13 Er2 129.2(3) . .
C25 N1 C26 122.6(5) . .
C25 N1 C27 120.5(5) . .
C26 N1 C27 116.9(5) . .
O1 C1 O2 128.2(4) . .
O1 C1 C2 114.3(4) . .
O2 C1 C2 117.5(4) . .
C3 C2 C7 117.7(4) . .
C3 C2 C1 120.9(4) . .
C7 C2 C1 121.4(4) . .
F1 C3 C4 117.8(4) . .
F1 C3 C2 120.1(4) . .
C4 C3 C2 122.1(4) . .
F2 C4 C3 119.5(4) . .
F2 C4 C5 120.1(4) . .
C3 C4 C5 120.4(4) . .
C6 C5 C4 117.4(4) . .
C6 C5 C8 121.7(4) . .
C4 C5 C8 120.4(4) . .
F3 C6 C7 118.7(4) . .
F3 C6 C5 119.6(4) . .
C7 C6 C5 121.6(4) . .
F4 C7 C2 120.1(4) . .
F4 C7 C6 119.0(4) . .
C2 C7 C6 120.8(4) . .
O4 C8 O3 128.1(4) . .
O4 C8 C5 114.9(4) . .
O3 C8 C5 117.0(4) . .
O5 C9 O6 120.4(4) . .
O5 C9 C10 120.0(4) . .
O6 C9 C10 119.6(4) . .
O5 C9 Er1 61.5(2) . .
O6 C9 Er1 59.1(2) . .
C10 C9 Er1 173.4(3) . .
C11 C10 C15 116.7(4) . .
C11 C10 C9 122.3(4) . .
C15 C10 C9 121.0(4) . .
F5 C11 C10 120.5(4) . .
F5 C11 C12 118.0(4) . .
C10 C11 C12 121.5(4) . .
F6 C12 C13 119.6(4) . .
F6 C12 C11 119.1(4) . .
C13 C12 C11 121.3(4) . .
C12 C13 C14 117.6(4) . .
C12 C13 C16 122.6(4) . .
C14 C13 C16 119.7(4) . .
F7 C14 C15 119.1(4) . .
F7 C14 C13 119.5(4) . .
C15 C14 C13 121.4(4) . .
F8 C15 C14 117.9(4) . .
F8 C15 C10 120.5(4) . .
C14 C15 C10 121.6(4) . .
O8 C16 O7 125.5(4) . .
O8 C16 C13 116.6(4) . .
O7 C16 C13 117.9(4) . .
O9 C17 O10 127.2(4) . .
O9 C17 C18 114.9(4) . .
O10 C17 C18 117.9(4) . .
C19 C18 C23 116.7(4) . .
C19 C18 C17 121.1(4) . .
C23 C18 C17 121.8(4) . .
F9 C19 C20 118.5(4) . .
F9 C19 C18 119.2(4) . .
C20 C19 C18 122.3(4) . .
F10 C20 C19 118.4(4) . .
F10 C20 C21 120.3(4) . .
C19 C20 C21 121.3(4) . .
C22 C21 C20 116.2(4) . .
C22 C21 C24 122.6(4) . .
C20 C21 C24 121.2(4) . .
F11 C22 C23 118.1(4) . .
F11 C22 C21 120.1(4) . .
C23 C22 C21 121.7(4) . .
F12 C23 C22 119.1(4) . .
F12 C23 C18 119.1(4) . .
C22 C23 C18 121.8(4) . .
O12 C24 O11 119.7(4) . .
O12 C24 C21 120.9(4) . .
O11 C24 C21 119.4(4) . .
O12 C24 Er2 60.9(2) . .
O11 C24 Er2 58.9(2) . .
C21 C24 Er2 175.9(3) . .
O13 C25 N1 124.3(5) . .
C1S N1S C3S 119.7(6) . .
C1S N1S C2S 122.8(6) . .
C3S N1S C2S 117.5(6) . .
O1S C1S N1S 124.0(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O9 2.269(3) .
Er1 O14 2.288(3) .
Er1 O2 2.298(3) 2
Er1 O1 2.307(3) .
Er1 O7 2.318(3) 1_655
Er1 O6 2.340(3) 2
Er1 O6 2.434(3) .
Er1 O5 2.488(3) .
Er1 C9 2.828(4) .
Er1 Er1 3.7835(6) 2
Er2 O8 2.232(3) .
Er2 O13 2.286(3) .
Er2 O10 2.303(3) 1_455
Er2 O4 2.308(3) 2_566
Er2 O11 2.327(3) 2_456
Er2 O3 2.387(3) 1_445
Er2 O11 2.422(3) .
Er2 O12 2.469(3) .
Er2 C24 2.822(4) .
Er2 Er2 3.7991(5) 2_456
F1 C3 1.337(5) .
F2 C4 1.340(5) .
F3 C6 1.331(5) .
F4 C7 1.337(5) .
F5 C11 1.333(5) .
F6 C12 1.337(5) .
F7 C14 1.342(5) .
F8 C15 1.331(5) .
F9 C19 1.342(5) .
F10 C20 1.331(5) .
F11 C22 1.337(5) .
F12 C23 1.335(5) .
O1 C1 1.250(5) .
O2 C1 1.252(5) .
O2 Er1 2.298(3) 2
O3 C8 1.270(5) .
O3 Er2 2.387(3) 1_665
O4 C8 1.252(5) .
O4 Er2 2.308(3) 2_566
O5 C9 1.239(5) .
O6 C9 1.276(5) .
O6 Er1 2.340(3) 2
O7 C16 1.254(5) .
O7 Er1 2.318(3) 1_455
O8 C16 1.234(5) .
O9 C17 1.241(5) .
O10 C17 1.255(5) .
O10 Er2 2.303(3) 1_655
O11 C24 1.284(5) .
O11 Er2 2.327(3) 2_456
O12 C24 1.241(5) .
O13 C25 1.245(6) .
N1 C25 1.312(6) .
N1 C26 1.434(7) .
N1 C27 1.448(8) .
C1 C2 1.513(6) .
C2 C3 1.378(7) .
C2 C7 1.378(6) .
C3 C4 1.377(6) .
C4 C5 1.393(6) .
C5 C6 1.382(6) .
C5 C8 1.502(6) .
C6 C7 1.385(6) .
C9 C10 1.494(6) .
C10 C11 1.382(6) .
C10 C15 1.389(6) .
C11 C12 1.387(6) .
C12 C13 1.373(6) .
C13 C14 1.376(6) .
C13 C16 1.513(6) .
C14 C15 1.377(6) .
C17 C18 1.502(6) .
C18 C19 1.374(6) .
C18 C23 1.388(6) .
C19 C20 1.377(6) .
C20 C21 1.401(6) .
C21 C22 1.392(6) .
C21 C24 1.480(6) .
C22 C23 1.373(6) .
O1S C1S 1.244(8) .
N1S C1S 1.308(8) .
N1S C3S 1.428(8) .
N1S C2S 1.445(10) .
