#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:39:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180048 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/42/7034252.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_7034252
loop_
_publ_author_name
'Shu, Yu-Bo'
'Liu, Wei-Sheng'
_publ_section_title
;
 A lanthanide salen "square prism" and a wrapped exo-lanthanide
 salen "double decker".
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6353
_journal_page_last               6357
_journal_paper_doi               10.1039/c4dt03959a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C48 H64 Cl2 Cu2 Er N8 O4, C7 H3 Cu4 N6'
_chemical_formula_sum            'C55 H67 Cl2 Cu6 Er N14 O4'
_chemical_formula_weight         1607.69
_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             2015-02-15
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-02-16 deposited with the CCDC.
2015-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                112.308(3)
_cell_angle_beta                 98.746(4)
_cell_angle_gamma                108.033(3)
_cell_formula_units_Z            2
_cell_length_a                   15.091(5)
_cell_length_b                   15.687(5)
_cell_length_c                   15.948(6)
_cell_measurement_reflns_used    9865
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.71
_cell_measurement_theta_min      2.35
_cell_volume                     3161.5(19)
_computing_cell_refinement       "'SAINT v7.60A (Bruker, 2009)"
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        "'SAINT v7.60A (Bruker, 2009)"
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23382
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.27
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.430
_exptl_absorpt_correction_T_max  0.710
_exptl_absorpt_correction_T_min  0.616
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown-black
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1606.0
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.675
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         11115
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0240
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0248P)²+2.2268P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0589
_reflns_number_gt                9378
_reflns_number_total             11115
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03959a2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7034251--7034252.cif.'
_cod_database_code               7034252
#BEGIN Tags that were not found in dictionaries:
_olex2_refinement_description
;
1. Shared sites
{N100, C100}
{C101, N101}
{C102, N102}
{N103, C103}
{N104, C104}
{N105, C105}
{C106, N106}
{N107, C107}
{N108, C108}
{C109, N109}
2. Others
 Fixed Sof: C100(0.5) N100(0.5) C101(0.5) N101(0.5) C102(0.5) N102(0.5)
 C103(0.5) N103(0.5) C104(0.5) N104(0.5) C105(0.5) N105(0.5) C106(0.5)
 N106(0.5) C107(0.5) N107(0.5) C108(0.5) N108(0.5) C109(0.5) N109(0.5)
 Fixed Uiso: H6A(0.076) H6B(0.076) H10(0.051) H22(0.048) H26A(0.078)
 H26B(0.078) H28(0.054) H29(0.064) H30(0.065) H31A(0.077) H31B(0.077)
 H33(0.067) H41(0.055) H47(0.066) H53(0.063) H55(0.055) H59(0.061) H60(0.068)
 H61(0.083) H62(0.067) H72(0.078) H74(0.074) H78A(0.076) H78B(0.076) H4A(0.068)
 H4B(0.068) H13A(0.095) H13B(0.095) H15A(0.101) H15B(0.101) H16A(0.101)
 H16B(0.101) H17A(0.123) H17B(0.123) H17C(0.123) H18A(0.148) H18B(0.148)
 H18C(0.148) H19A(0.099) H19B(0.099) H20A(0.131) H20B(0.131) H9A(0.109)
 H9B(0.109) H11A(0.15) H11B(0.15) H11C(0.15) H1AA(0.125) H1AB(0.125)
 H1BA(0.168) H1BB(0.168) H1BC(0.168) H1CA(0.189) H1CB(0.189) H1CC(0.189)
 H1DA(0.182) H1DB(0.182) H1DC(0.182) H1EA(0.247) H1EB(0.247) H1EC(0.247)
 H1FA(0.252) H1FB(0.252) H1FC(0.252) H1GA(0.141) H1GB(0.141) H1GC(0.141)
 Fixed X: H6A(1.1631) H6B(1.0699) H10(0.7634) H22(0.7956) H26A(1.0044)
 H26B(1.0788) H28(1.1598) H29(0.8702) H30(0.718) H31A(1.291) H31B(1.2755)
 H33(1.2489) H41(1.0997) H47(0.601) H53(0.9878) H55(0.9415) H59(1.2488)
 H60(1.3679) H61(1.1379) H62(0.8496) H72(1.2201) H74(1.4245) H78A(1.1623)
 H78B(1.2297) H4A(0.687) H4B(0.6062) H13A(0.7002) H13B(0.6107) H15A(1.204)
 H15B(1.2951) H16A(0.4874) H16B(0.4559) H17A(0.5544) H17B(0.6326) H17C(0.5447)
 H18A(0.5602) H18B(0.4511) H18C(0.5357) H19A(0.6395) H19B(0.5479) H20A(1.0769)
 H20B(0.9795) H9A(0.8281) H9B(0.841) H11A(0.7382) H11B(0.6469) H11C(0.6807)
 H1AA(1.438) H1AB(1.4603) H1BA(1.2401) H1BB(1.2081) H1BC(1.3191) H1CA(0.7027)
 H1CB(0.6999) H1CC(0.7934) H1DA(0.909) H1DB(0.8045) H1DC(0.8978) H1EA(1.01)
 H1EB(0.9921) H1EC(0.9068) H1FA(1.4806) H1FB(1.4806) H1FC(1.563) H1GA(0.4722)
 H1GB(0.5723) H1GC(0.542)
 Fixed Y: H6A(0.5579) H6B(0.5749) H10(0.57) H22(0.6346) H26A(0.4163)
 H26B(0.438) H28(0.8842) H29(0.3499) H30(0.2776) H31A(1.0251) H31B(1.1195)
 H33(1.1638) H41(0.8178) H47(0.279) H53(0.658) H55(0.9648) H59(0.7272)
 H60(0.874) H61(1.2451) H62(0.5192) H72(1.2402) H74(0.9951) H78A(1.0296)
 H78B(0.9696) H4A(0.4973) H4B(0.4035) H13A(0.4315) H13B(0.3689) H15A(1.0107)
 H15B(1.0851) H16A(0.3021) H16B(0.3642) H17A(0.512) H17B(0.604) H17C(0.5246)
 H18A(0.2473) H18B(0.2218) H18C(0.3138) H19A(0.5796) H19B(0.5196) H20A(1.2183)
 H20B(1.1673) H9A(1.061) H9B(1.0011) H11A(0.5446) H11B(0.4831) H11C(0.5997)
 H1AA(1.1567) H1AB(1.1121) H1BA(0.8759) H1BB(0.9333) H1BC(0.9547) H1CA(0.2749)
 H1CB(0.2875) H1CC(0.3543) H1DA(0.9168) H1DB(0.8998) H1DC(0.9774) H1EA(1.3048)
 H1EB(1.323) H1EC(1.2462) H1FA(0.9864) H1FB(1.0532) H1FC(1.095) H1GA(0.2526)
 H1GB(0.2958) H1GC(0.3666)
 Fixed Z: H6A(-0.2028) H6B(-0.2384) H10(0.0608) H22(-0.1419) H26A(-0.2626)
 H26B(-0.169) H28(0.2252) H29(-0.212) H30(-0.1921) H31A(0.0356) H31B(0.0349)
 H33(0.183) H41(-0.2246) H47(-0.1216) H53(-0.3364) H55(0.2507) H59(-0.0887)
 H60(0.0428) H61(0.4342) H62(-0.3914) H72(0.327) H74(0.1954) H78A(-0.1066)
 H78B(-0.1198) H4A(-0.1869) H4B(-0.2766) H13A(-0.4477) H13B(-0.4269)
 H15A(0.3499) H15B(0.4401) H16A(-0.0745) H16B(0.0093) H17A(-0.3198) H17B(-
 0.227) H17C(-0.2197) H18A(0.0198) H18B(0.0192) H18C(0.107) H19A(0.0929)
 H19B(0.1131) H20A(0.5351) H20B(0.5533) H9A(0.413) H9B(0.3146) H11A(0.1872)
 H11B(0.2065) H11C(0.2451) H1AA(0.42) H1AB(0.3235) H1BA(0.3585) H1BB(0.4445)
 H1BC(0.4569) H1CA(-0.4843) H1CB(-0.3825) H1CC(-0.395) H1DA(0.3788)
 H1DB(0.3903) H1DC(0.4776) H1EA(0.4783) H1EB(0.5767) H1EC(0.482) H1FA(0.365)
 H1FB(0.4671) H1FC(0.4265) H1GA(0.2508) H1GB(0.3293) H1GC(0.2944)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
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_group
C100 C 0.0395(2) 0.5179(2) 0.5242(2) 0.0595(9) Uani 0.50 1 d P 1
N100 N 0.0395(2) 0.5179(2) 0.5242(2) 0.0595(9) Uani 0.50 1 d P 2
C101 C 0.4720(2) 0.9819(2) 0.9629(2) 0.0632(10) Uani 0.50 1 d P 1
N101 N 0.4720(2) 0.9819(2) 0.9629(2) 0.0632(10) Uani 0.50 1 d P 2
C102 C 0.2465(3) 0.4920(3) 0.5777(2) 0.0600(9) Uani 0.50 1 d P 1
N102 N 0.2465(3) 0.4920(3) 0.5777(2) 0.0600(9) Uani 0.50 1 d P 2
C103 C 0.2916(3) 0.4442(3) 0.5608(3) 0.0705(10) Uani 0.50 1 d P 1
N103 N 0.2916(3) 0.4442(3) 0.5608(3) 0.0705(10) Uani 0.50 1 d P 2
C104 C 0.2466(3) 0.7104(3) 0.6993(3) 0.0643(9) Uani 0.50 1 d P 1
N104 N 0.2466(3) 0.7104(3) 0.6993(3) 0.0643(9) Uani 0.50 1 d P 2
C105 C 0.2960(3) 0.7921(3) 0.7548(3) 0.0671(10) Uani 0.50 1 d P 1
N105 N 0.2960(3) 0.7921(3) 0.7548(3) 0.0671(10) Uani 0.50 1 d P 2
C106 C 0.3875(3) 1.0261(3) 0.7923(3) 0.0728(10) Uani 0.50 1 d P 1
N106 N 0.3875(3) 1.0261(3) 0.7923(3) 0.0728(10) Uani 0.50 1 d P 2
C107 C 0.3950(3) 0.0822(3) 0.7607(3) 0.0856(12) Uani 0.50 1 d P 1
N107 N 0.3950(3) 0.0822(3) 0.7607(3) 0.0856(12) Uani 0.50 1 d P 2
C108 C 0.4014(3) 0.2413(3) 0.6398(3) 0.0732(10) Uani 0.50 1 d P 1
N108 N 0.4014(3) 0.2413(3) 0.6398(3) 0.0732(10) Uani 0.50 1 d P 2
C109 C 0.3925(3) 0.2864(3) 0.5997(3) 0.0669(10) Uani 0.50 1 d P 1
N109 N 0.3925(3) 0.2864(3) 0.5997(3) 0.0669(10) Uani 0.50 1 d P 2
Er1 Er 0.932276(10) 0.765363(9) 0.078240(9) 0.03310(5) Uani 1 1 d . .
Cu2 Cu 1.05939(3) 0.91629(3) 0.00876(3) 0.03870(9) Uani 1 1 d . .
Cu1 Cu 1.01908(3) 0.61477(3) -0.04429(3) 0.04134(10) Uani 1 1 d . .
Cu3 Cu 0.38295(3) 0.92744(4) 0.83900(4) 0.06446(13) Uani 1 1 d . .
Cu4 Cu 0.17264(4) 0.57515(4) 0.60182(3) 0.06321(13) Uani 1 1 d . .
Cu5 Cu 0.36590(4) 0.36334(4) 0.53863(4) 0.06901(14) Uani 1 1 d . .
Cu6 Cu 0.40142(4) 0.16533(4) 0.70358(4) 0.08449(17) Uani 1 1 d . .
Cl1 Cl 0.75729(7) 0.75034(7) 0.04769(9) 0.0756(3) Uani 1 1 d . .
Cl2 Cl 0.96742(9) 0.77701(7) 0.24332(6) 0.0709(3) Uani 1 1 d . .
C6 C 1.1029(3) 0.5614(3) -0.1907(3) 0.0637(11) Uani 1 1 d . .
H6A H 1.1631 0.5579 -0.2028 0.076 Uiso 1 1 calc R .
H6B H 1.0699 0.5749 -0.2384 0.076 Uiso 1 1 calc R .
O4 O 0.94742(15) 0.79061(14) -0.05387(14) 0.0391(5) Uani 1 1 d . .
O3 O 1.01491(14) 0.93083(13) 0.11901(14) 0.0381(5) Uani 1 1 d . .
C10 C 0.7539(2) 0.5110(2) 0.0087(2) 0.0427(7) Uani 1 1 d . .
H10 H 0.7634 0.5700 0.0608 0.051 Uiso 1 1 calc R .
O2 O 0.90431(15) 0.59924(13) -0.00205(14) 0.0378(5) Uani 1 1 d . .
C12 C 0.8252(2) 0.5115(2) -0.0351(2) 0.0378(7) Uani 1 1 d . .
O1 O 1.07300(15) 0.74385(15) 0.06286(15) 0.0438(5) Uani 1 1 d . .
C14 C 1.0492(2) 1.0169(2) 0.2018(2) 0.0401(7) Uani 1 1 d . .
N15 N 1.17301(19) 1.03895(19) 0.0742(2) 0.0481(7) Uani 1 1 d . .
N16 N 0.9687(2) 0.4816(2) -0.14429(19) 0.0495(7) Uani 1 1 d . .
N18 N 1.1250(2) 0.6418(2) -0.09569(19) 0.0473(7) Uani 1 1 d . .
N20 N 1.10486(19) 0.8994(2) -0.0993(2) 0.0457(7) Uani 1 1 d . .
C21 C 0.9219(2) 0.7217(2) -0.1459(2) 0.0367(7) Uani 1 1 d . .
C22 C 0.8349(2) 0.6390(2) -0.1810(2) 0.0401(7) Uani 1 1 d . .
H22 H 0.7956 0.6346 -0.1419 0.048 Uiso 1 1 calc R .
C23 C 1.1677(2) 0.8087(2) 0.0957(2) 0.0405(7) Uani 1 1 d . .
C26 C 1.0392(3) 0.4648(3) -0.1965(3) 0.0650(11) Uani 1 1 d . .
H26A H 1.0044 0.4163 -0.2626 0.078 Uiso 1 1 calc R .
H26B H 1.0788 0.4380 -0.1690 0.078 Uiso 1 1 calc R .
C27 C 0.6669(3) 0.4255(2) -0.0212(3) 0.0503(8) Uani 1 1 d . .
C28 C 1.2023(2) 0.8821(2) 0.1887(2) 0.0451(8) Uani 1 1 d . .
H28 H 1.1598 0.8842 0.2252 0.054 Uiso 1 1 calc R .
C29 C 0.8861(3) 0.4127(2) -0.1618(2) 0.0529(9) Uani 1 1 d . .
H29 H 0.8702 0.3499 -0.2120 0.064 Uiso 1 1 calc R .
C30 C 0.7277(3) 0.3374(2) -0.1409(2) 0.0544(9) Uani 1 1 d . .
H30 H 0.7180 0.2776 -0.1921 0.065 Uiso 1 1 calc R .
C31 C 1.2422(3) 1.0493(3) 0.0196(3) 0.0642(11) Uani 1 1 d . .
H31A H 1.2910 1.0251 0.0356 0.077 Uiso 1 1 calc R .
H31B H 1.2755 1.1195 0.0349 0.077 Uiso 1 1 calc R .
C32 C 0.8157(3) 0.4219(2) -0.1125(2) 0.0446(8) Uani 1 1 d . .
C33 C 1.1919(2) 1.1059(2) 0.1595(3) 0.0555(9) Uani 1 1 d . .
H33 H 1.2489 1.1638 0.1830 0.067 Uiso 1 1 calc R .
C34 C 0.9820(2) 0.7327(2) -0.2040(2) 0.0416(7) Uani 1 1 d . .
N36 N 0.7168(2) 0.4800(2) -0.3079(2) 0.0570(8) Uani 1 1 d . .
C37 C 1.2297(2) 0.8019(2) 0.0378(2) 0.0454(8) Uani 1 1 d . .
C39 C 1.2989(3) 0.9537(3) 0.2304(3) 0.0524(9) Uani 1 1 d . .
N40 N 0.5978(2) 0.4299(2) 0.0237(3) 0.0683(9) Uani 1 1 d . .
C41 C 1.0677(2) 0.8194(3) -0.1790(2) 0.0458(8) Uani 1 1 d . .
H41 H 1.0997 0.8178 -0.2246 0.055 Uiso 1 1 calc R .
C42 C 0.8035(3) 0.5610(2) -0.2743(2) 0.0462(8) Uani 1 1 d . .
C44 C 1.1347(2) 1.1004(2) 0.2215(2) 0.0479(8) Uani 1 1 d . .
C47 C 0.6571(3) 0.3376(2) -0.0990(3) 0.0547(9) Uani 1 1 d . .
H47 H 0.6010 0.2790 -0.1216 0.066 Uiso 1 1 calc R .
C53 C 0.9496(3) 0.6532(3) -0.2965(2) 0.0523(9) Uani 1 1 d . .
H53 H 0.9878 0.6580 -0.3364 0.063 Uiso 1 1 calc R .
C55 C 0.9978(3) 1.0208(2) 0.2662(2) 0.0457(8) Uani 1 1 d . .
H55 H 0.9415 0.9648 0.2507 0.055 Uiso 1 1 calc R .
C59 C 1.2040(3) 0.7212(3) -0.0550(3) 0.0508(9) Uani 1 1 d . .
H59 H 1.2488 0.7272 -0.0887 0.061 Uiso 1 1 calc R .
C60 C 1.3256(3) 0.8752(3) 0.0795(3) 0.0567(10) Uani 1 1 d . .
H60 H 1.3679 0.8740 0.0428 0.068 Uiso 1 1 calc R .
C61 C 1.1142(3) 1.1881(3) 0.3757(3) 0.0694(12) Uani 1 1 d . .
H61 H 1.1379 1.2451 0.4342 0.083 Uiso 1 1 calc R .
C62 C 0.8662(3) 0.5706(3) -0.3304(2) 0.0555(9) Uani 1 1 d . .
H62 H 0.8496 0.5192 -0.3914 0.067 Uiso 1 1 calc R .
C64 C 1.0266(3) 1.1059(3) 0.3548(2) 0.0568(9) Uani 1 1 d . .
N69 N 1.3307(2) 1.0247(2) 0.3231(2) 0.0661(9) Uani 1 1 d . .
C72 C 1.1636(3) 1.1842(2) 0.3112(3) 0.0647(11) Uani 1 1 d . .
H72 H 1.2201 1.2402 0.3270 0.078 Uiso 1 1 calc R .
C74 C 1.3600(3) 0.9483(3) 0.1713(3) 0.0613(10) Uani 1 1 d . .
H74 H 1.4245 0.9951 0.1954 0.074 Uiso 1 1 calc R .
C78 C 1.1867(3) 0.9892(3) -0.0842(3) 0.0635(10) Uani 1 1 d . .
H78A H 1.1623 1.0296 -0.1066 0.076 Uiso 1 1 calc R .
H78B H 1.2297 0.9696 -0.1198 0.076 Uiso 1 1 calc R .
C4 C 0.6500(3) 0.4734(3) -0.2524(3) 0.0565(9) Uani 1 1 d . .
H4A H 0.6870 0.4973 -0.1869 0.068 Uiso 1 1 calc R .
H4B H 0.6062 0.4035 -0.2766 0.068 Uiso 1 1 calc R .
N5 N 0.4328(3) 0.3503(3) 0.4369(3) 0.0783(10) Uani 1 1 d . .
N10 N 0.9715(3) 1.1080(3) 0.4147(2) 0.0822(11) Uani 1 1 d . .
C13 C 0.6816(3) 0.4011(3) -0.4068(3) 0.0792(13) Uani 1 1 d . .
H13A H 0.7002 0.4315 -0.4477 0.095 Uiso 1 1 calc R .
H13B H 0.6107 0.3689 -0.4269 0.095 Uiso 1 1 calc R .
C7 C 0.4709(3) 0.3341(3) 0.3809(4) 0.0728(11) Uani 1 1 d . .
C15 C 1.2685(3) 1.0207(3) 0.3836(3) 0.0841(14) Uani 1 1 d . .
H15A H 1.2040 1.0107 0.3499 0.101 Uiso 1 1 calc R .
H15B H 1.2951 1.0851 0.4401 0.101 Uiso 1 1 calc R .
C16 C 0.5070(3) 0.3415(3) -0.0059(4) 0.0838(14) Uani 1 1 d . .
H16A H 0.4874 0.3021 -0.0745 0.101 Uiso 1 1 calc R .
H16B H 0.4559 0.3642 0.0093 0.101 Uiso 1 1 calc R .
C17 C 0.5900(3) 0.5340(3) -0.2550(4) 0.0820(13) Uani 1 1 d . .
H17A H 0.5544 0.5120 -0.3198 0.123 Uiso 1 1 calc R .
H17B H 0.6326 0.6040 -0.2270 0.123 Uiso 1 1 calc R .
H17C H 0.5447 0.5246 -0.2197 0.123 Uiso 1 1 calc R .
C18 C 0.5141(4) 0.2752(4) 0.0390(4) 0.0989(17) Uani 1 1 d . .
H18A H 0.5602 0.2473 0.0198 0.148 Uiso 1 1 calc R .
H18B H 0.4511 0.2218 0.0192 0.148 Uiso 1 1 calc R .
H18C H 0.5357 0.3138 0.1070 0.148 Uiso 1 1 calc R .
C19 C 0.6113(3) 0.5229(4) 0.1054(4) 0.0824(14) Uani 1 1 d . .
H19A H 0.6395 0.5796 0.0929 0.099 Uiso 1 1 calc R .
H19B H 0.5479 0.5196 0.1131 0.099 Uiso 1 1 calc R .
C20 C 1.0061(5) 1.1919(3) 0.5113(3) 0.109(2) Uani 1 1 d . .
H20A H 1.0769 1.2183 0.5351 0.131 Uiso 1 1 calc R .
H20B H 0.9795 1.1673 0.5533 0.131 Uiso 1 1 calc R .
C9 C 0.8687(4) 1.0298(4) 0.3831(3) 0.0907(15) Uani 1 1 d . .
H9A H 0.8281 1.0610 0.4130 0.109 Uiso 1 1 calc R .
H9B H 0.8410 1.0011 0.3146 0.109 Uiso 1 1 calc R .
C11 C 0.6747(4) 0.5390(4) 0.1936(4) 0.1000(16) Uani 1 1 d . .
H11A H 0.7382 0.5446 0.1872 0.150 Uiso 1 1 calc R .
H11B H 0.6469 0.4831 0.2065 0.150 Uiso 1 1 calc R .
H11C H 0.6807 0.5997 0.2451 0.150 Uiso 1 1 calc R .
C1A C 1.4341(4) 1.0952(4) 0.3696(4) 0.1045(18) Uani 1 1 d . .
H1AA H 1.4380 1.1567 0.4200 0.125 Uiso 1 1 calc R .
H1AB H 1.4603 1.1121 0.3235 0.125 Uiso 1 1 calc R .
C1B C 1.2580(4) 0.9387(5) 0.4136(4) 0.1123(19) Uani 1 1 d . .
H1BA H 1.2401 0.8759 0.3585 0.168 Uiso 1 1 calc R .
H1BB H 1.2081 0.9333 0.4445 0.168 Uiso 1 1 calc R .
H1BC H 1.3191 0.9547 0.4569 0.168 Uiso 1 1 calc R .
C1C C 0.7232(5) 0.3222(4) -0.4182(4) 0.126(2) Uani 1 1 d . .
H1CA H 0.7027 0.2749 -0.4843 0.189 Uiso 1 1 calc R .
H1CB H 0.6999 0.2875 -0.3825 0.189 Uiso 1 1 calc R .
H1CC H 0.7934 0.3543 -0.3950 0.189 Uiso 1 1 calc R .
C1D C 0.8701(5) 0.9487(4) 0.4098(5) 0.122(2) Uani 1 1 d . .
H1DA H 0.9090 0.9168 0.3788 0.182 Uiso 1 1 calc R .
H1DB H 0.8045 0.8998 0.3903 0.182 Uiso 1 1 calc R .
H1DC H 0.8978 0.9774 0.4776 0.182 Uiso 1 1 calc R .
C1E C 0.9761(7) 1.2737(4) 0.5121(5) 0.165(4) Uani 1 1 d . .
H1EA H 1.0100 1.3048 0.4783 0.247 Uiso 1 1 calc R .
H1EB H 0.9921 1.3230 0.5767 0.247 Uiso 1 1 calc R .
H1EC H 0.9068 1.2462 0.4820 0.247 Uiso 1 1 calc R .
C1F C 1.4949(4) 1.0538(6) 0.4107(6) 0.168(3) Uani 1 1 d . .
H1FA H 1.4806 0.9864 0.3650 0.252 Uiso 1 1 calc R .
H1FB H 1.4806 1.0532 0.4671 0.252 Uiso 1 1 calc R .
H1FC H 1.5630 1.0950 0.4265 0.252 Uiso 1 1 calc R .
C1G C 0.5184(4) 0.3103(4) 0.3077(4) 0.0938(15) Uani 1 1 d . .
H1GA H 0.4722 0.2526 0.2508 0.141 Uiso 1 1 calc R .
H1GB H 0.5723 0.2958 0.3293 0.141 Uiso 1 1 calc R .
H1GC H 0.5420 0.3666 0.2944 0.141 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'
Cu Cu 0.3201 1.2651 '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'
Cl Cl 0.1484 0.1585 '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
C100 C100 Cu4 178.2(4) 2_566
C101 C101 Cu3 177.1(4) 2_677
C103 C102 Cu4 177.1(4) .
C102 C103 Cu5 176.9(4) .
C105 C104 Cu4 175.3(3) .
C104 C105 Cu3 175.3(4) .
C107 C106 Cu3 174.6(4) 1_565
C106 C107 Cu6 176.5(4) 1_545
C109 C108 Cu6 173.6(4) .
C108 C109 Cu5 173.6(4) .
Cu1 Er1 Cu2 83.99(3) .
Cl1 Er1 Cu2 111.43(3) .
Cl1 Er1 Cu1 128.76(3) .
Cl2 Er1 Cu2 127.34(3) .
Cl2 Er1 Cu1 107.48(3) .
Cl2 Er1 Cl1 100.56(4) .
O4 Er1 Cu2 36.11(5) .
O4 Er1 Cu1 71.35(5) .
O4 Er1 Cl1 92.68(6) .
O4 Er1 Cl2 162.90(6) .
O3 Er1 Cu2 36.44(5) .
O3 Er1 Cu1 115.62(5) .
O3 Er1 Cl1 101.18(6) .
O3 Er1 Cl2 98.39(6) .
O3 Er1 O4 68.17(7) .
O3 Er1 O2 151.79(7) .
O3 Er1 O1 87.82(7) .
O2 Er1 Cu2 117.07(5) .
O2 Er1 Cu1 36.49(5) .
O2 Er1 Cl1 99.45(6) .
O2 Er1 Cl2 96.49(6) .
O2 Er1 O4 91.91(7) .
O1 Er1 Cu2 68.46(6) .
O1 Er1 Cu1 35.70(5) .
O1 Er1 Cl1 163.87(6) .
O1 Er1 Cl2 91.21(6) .
O1 Er1 O4 78.15(8) .
O1 Er1 O2 68.01(7) .
O4 Cu2 Er1 45.48(6) .
O4 Cu2 O3 83.96(8) .
O3 Cu2 Er1 44.34(5) .
N15 Cu2 Er1 132.63(9) .
N15 Cu2 O4 177.53(11) .
N15 Cu2 O3 95.05(10) .
N15 Cu2 N20 85.20(12) .
N20 Cu2 Er1 134.66(8) .
N20 Cu2 O4 95.73(10) .
N20 Cu2 O3 178.34(10) .
O2 Cu1 Er1 44.76(6) .
O1 Cu1 Er1 44.56(6) .
O1 Cu1 O2 83.70(8) .
O1 Cu1 N18 94.90(11) .
N16 Cu1 Er1 137.04(9) .
N16 Cu1 O2 95.99(11) .
N16 Cu1 O1 175.15(11) .
N16 Cu1 N18 86.19(13) .
N18 Cu1 Er1 129.61(9) .
N18 Cu1 O2 170.55(10) .
C101 Cu3 C106 113.99(16) .
C105 Cu3 C101 129.47(16) .
C105 Cu3 C106 116.49(17) .
C100 Cu4 C102 118.12(14) .
C100 Cu4 C104 127.55(15) .
C102 Cu4 C104 114.25(15) .
C103 Cu5 N5 120.46(15) .
C109 Cu5 C103 130.64(16) .
C109 Cu5 N5 108.90(15) .
C108 Cu6 C107 176.28(18) .
N18 C6 C26 108.7(3) .
Cu2 O4 Er1 98.41(8) .
C21 O4 Er1 129.18(17) .
C21 O4 Cu2 125.37(17) .
Cu2 O3 Er1 99.22(8) .
C14 O3 Er1 133.71(18) .
C14 O3 Cu2 125.08(18) .
C12 C10 C27 123.2(3) .
Cu1 O2 Er1 98.75(8) .
C12 O2 Er1 134.30(17) .
C12 O2 Cu1 125.12(17) .
C10 C12 C32 120.3(3) .
O2 C12 C10 118.0(3) .
O2 C12 C32 121.7(3) .
Cu1 O1 Er1 99.74(9) .
C23 O1 Er1 132.67(18) .
C23 O1 Cu1 124.92(18) .
O3 C14 C44 121.4(3) .
O3 C14 C55 117.9(3) .
C55 C14 C44 120.7(3) .
C31 N15 Cu2 113.6(2) .
C33 N15 Cu2 124.8(2) .
C33 N15 C31 121.5(3) .
C26 N16 Cu1 111.8(2) .
C29 N16 Cu1 124.6(2) .
C29 N16 C26 123.5(3) .
C6 N18 Cu1 111.5(2) .
C59 N18 Cu1 125.2(2) .
C59 N18 C6 123.3(3) .
C41 N20 Cu2 124.8(2) .
C41 N20 C78 121.9(3) .
C78 N20 Cu2 113.3(2) .
O4 C21 C22 117.3(3) .
O4 C21 C34 122.0(3) .
C22 C21 C34 120.7(3) .
C21 C22 C42 121.9(3) .
O1 C23 C28 117.5(3) .
O1 C23 C37 121.8(3) .
C28 C23 C37 120.7(3) .
N16 C26 C6 109.3(3) .
C10 C27 C47 116.1(3) .
N40 C27 C10 120.7(3) .
N40 C27 C47 123.1(3) .
C23 C28 C39 122.6(3) .
N16 C29 C32 126.9(3) .
C47 C30 C32 124.4(3) .
N15 C31 C78 108.7(3) .
C12 C32 C29 125.3(3) .
C30 C32 C12 115.1(3) .
C30 C32 C29 119.6(3) .
N15 C33 C44 126.5(3) .
C21 C34 C41 125.5(3) .
C53 C34 C21 116.2(3) .
C53 C34 C41 118.1(3) .
C42 N36 C4 121.8(3) .
C42 N36 C13 121.0(3) .
C4 N36 C13 116.7(3) .
C23 C37 C59 124.6(3) .
C60 C37 C23 116.2(3) .
C60 C37 C59 118.9(3) .
C28 C39 C74 116.4(3) .
N69 C39 C28 120.8(3) .
N69 C39 C74 122.8(3) .
C27 N40 C16 121.5(3) .
C27 N40 C19 121.5(3) .
C16 N40 C19 117.0(3) .
N20 C41 C34 126.0(3) .
N36 C42 C22 121.1(3) .
N36 C42 C62 122.0(3) .
C62 C42 C22 116.9(3) .
C14 C44 C33 125.6(3) .
C72 C44 C14 115.6(3) .
C72 C44 C33 118.8(3) .
C30 C47 C27 120.7(3) .
C62 C53 C34 123.5(3) .
C14 C55 C64 123.0(3) .
N18 C59 C37 125.8(3) .
C74 C60 C37 123.2(3) .
C72 C61 C64 120.4(3) .
C53 C62 C42 120.7(3) .
C55 C64 C61 116.2(3) .
N10 C64 C55 121.0(4) .
N10 C64 C61 122.8(3) .
C39 N69 C15 120.6(3) .
C39 N69 C1A 121.1(4) .
C15 N69 C1A 117.2(4) .
C61 C72 C44 124.0(4) .
C60 C74 C39 120.8(3) .
N20 C78 C31 109.3(3) .
N36 C4 C17 112.8(3) .
C7 N5 Cu5 172.4(4) .
C64 N10 C20 121.3(4) .
C64 N10 C9 121.8(3) .
C20 N10 C9 116.7(4) .
N36 C13 C1C 111.8(4) .
N5 C7 C1G 178.4(5) .
N69 C15 C1B 113.9(4) .
N40 C16 C18 114.6(4) .
C11 C19 N40 112.2(4) .
N10 C20 C1E 111.4(5) .
C1D C9 N10 109.9(5) .
N69 C1A C1F 112.9(5) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C100 C100 1.145(6) 2_566
C100 Cu4 1.912(3) .
C101 C101 1.151(6) 2_677
C101 Cu3 1.908(3) .
C102 C103 1.146(5) .
C102 Cu4 1.935(4) .
C103 Cu5 1.912(4) .
C104 C105 1.153(5) .
C104 Cu4 1.915(4) .
C105 Cu3 1.899(4) .
C106 C107 1.156(5) 1_565
C106 Cu3 1.944(4) .
C107 C106 1.156(5) 1_545
C107 Cu6 1.840(5) .
C108 C109 1.141(5) .
C108 Cu6 1.837(4) .
C109 Cu5 1.909(4) .
Er1 Cu2 3.2155(8) .
Er1 Cu1 3.2102(7) .
Er1 Cl1 2.5304(13) .
Er1 Cl2 2.5291(13) .
Er1 O4 2.318(2) .
Er1 O3 2.2768(19) .
Er1 O2 2.2870(19) .
Er1 O1 2.285(2) .
Cu2 O4 1.915(2) .
Cu2 O3 1.935(2) .
Cu2 N15 1.903(3) .
Cu2 N20 1.907(3) .
Cu1 O2 1.932(2) .
Cu1 O1 1.901(2) .
Cu1 N16 1.899(3) .
Cu1 N18 1.910(3) .
Cu5 N5 2.017(4) .
C6 N18 1.461(4) .
C6 C26 1.482(5) .
O4 C21 1.356(3) .
O3 C14 1.357(3) .
C10 C12 1.369(4) .
C10 C27 1.409(4) .
O2 C12 1.356(3) .
C12 C32 1.424(4) .
O1 C23 1.348(4) .
C14 C44 1.414(4) .
C14 C55 1.371(4) .
N15 C31 1.468(4) .
N15 C33 1.283(4) .
N16 C26 1.473(4) .
N16 C29 1.278(4) .
N18 C59 1.276(4) .
N20 C41 1.281(4) .
N20 C78 1.464(4) .
C21 C22 1.375(4) .
C21 C34 1.411(4) .
C22 C42 1.408(4) .
C23 C28 1.376(4) .
C23 C37 1.411(4) .
C27 N40 1.356(5) .
C27 C47 1.409(5) .
C28 C39 1.398(5) .
C29 C32 1.424(5) .
C30 C32 1.414(5) .
C30 C47 1.341(5) .
C31 C78 1.495(5) .
C33 C44 1.417(5) .
C34 C41 1.422(4) .
C34 C53 1.407(4) .
N36 C42 1.362(4) .
N36 C4 1.444(4) .
N36 C13 1.470(4) .
C37 C59 1.429(5) .
C37 C60 1.398(5) .
C39 N69 1.364(5) .
C39 C74 1.413(5) .
N40 C16 1.467(5) .
N40 C19 1.470(5) .
C42 C62 1.410(5) .
C44 C72 1.412(5) .
C53 C62 1.344(5) .
C55 C64 1.410(4) .
C60 C74 1.361(5) .
C61 C64 1.416(6) .
C61 C72 1.353(6) .
C64 N10 1.357(5) .
N69 C15 1.450(5) .
N69 C1A 1.471(5) .
C4 C17 1.508(5) .
N5 C7 1.125(5) .
N10 C20 1.472(5) .
N10 C9 1.510(6) .
C13 C1C 1.518(7) .
C7 C1G 1.452(6) .
C15 C1B 1.509(7) .
C16 C18 1.489(6) .
C19 C11 1.459(7) .
C20 C1E 1.483(7) .
C9 C1D 1.492(7) .
C1A C1F 1.485(8) .
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
C100 C100 Cu4 C102 -34(16) 2_566
C100 C100 Cu4 C104 143(16) 2_566
C101 C101 Cu3 C105 156(10) 2_677
C101 C101 Cu3 C106 -21(11) 2_677
C102 C103 Cu5 C109 5(7) .
C102 C103 Cu5 N5 -174(7) .
C103 C102 Cu4 C100 92(7) .
C103 C102 Cu4 C104 -85(7) .
C103 Cu5 N5 C7 -163(3) .
C104 C105 Cu3 C101 -119(4) .
C104 C105 Cu3 C106 58(5) .
C105 C104 Cu4 C100 -126(5) .
C105 C104 Cu4 C102 50(5) .
C106 C107 Cu6 C108 4(10) 1_545
C107 C106 Cu3 C101 97(4) 1_565
C107 C106 Cu3 C105 -81(4) 1_565
C108 C109 Cu5 C103 15(3) .
C108 C109 Cu5 N5 -166(3) .
C109 C108 Cu6 C107 58(5) .
C109 Cu5 N5 C7 17(3) .
Er1 Cu2 O4 C21 -152.6(3) .
Er1 Cu2 O3 C14 165.8(3) .
Er1 Cu2 N15 C31 141.5(2) .
Er1 Cu2 N15 C33 -35.4(3) .
Er1 Cu2 N20 C41 21.0(3) .
Er1 Cu2 N20 C78 -160.5(2) .
Er1 Cu1 O2 C12 166.5(3) .
Er1 Cu1 O1 C23 -163.4(3) .
Er1 Cu1 N16 C26 158.44(19) .
Er1 Cu1 N16 C29 -25.0(4) .
Er1 Cu1 N18 C6 -140.3(2) .
Er1 Cu1 N18 C59 37.1(3) .
Er1 O4 C21 C22 40.8(4) .
Er1 O4 C21 C34 -138.5(2) .
Er1 O3 C14 C44 148.5(2) .
Er1 O3 C14 C55 -31.9(4) .
Er1 O2 C12 C10 -25.2(4) .
Er1 O2 C12 C32 155.3(2) .
Er1 O1 C23 C28 43.4(4) .
Er1 O1 C23 C37 -136.9(2) .
Cu2 Er1 Cu1 O2 -155.76(9) .
Cu2 Er1 Cu1 O1 60.91(10) .
Cu2 Er1 Cu1 N16 -125.71(13) .
Cu2 Er1 Cu1 N18 13.94(11) .
Cu2 Er1 O4 C21 151.1(3) .
Cu2 Er1 O3 C14 -163.9(3) .
Cu2 Er1 O2 Cu1 27.30(10) .
Cu2 Er1 O2 C12 -137.2(2) .
Cu2 Er1 O1 Cu1 -110.88(9) .
Cu2 Er1 O1 C23 50.6(2) .
Cu2 O4 C21 C22 -175.1(2) .
Cu2 O4 C21 C34 5.6(4) .
Cu2 O3 C14 C44 -12.0(4) .
Cu2 O3 C14 C55 167.6(2) .
Cu2 N15 C31 C78 27.2(4) .
Cu2 N15 C33 C44 2.1(5) .
Cu2 N20 C41 C34 5.6(5) .
Cu2 N20 C78 C31 26.9(4) .
Cu1 Er1 Cu2 O4 66.34(9) .
Cu1 Er1 Cu2 O3 -151.01(9) .
Cu1 Er1 Cu2 N15 -111.46(12) .
Cu1 Er1 Cu2 N20 27.11(12) .
Cu1 Er1 O4 Cu2 -105.97(8) .
Cu1 Er1 O4 C21 45.1(2) .
Cu1 Er1 O3 Cu2 32.31(10) .
Cu1 Er1 O3 C14 -131.6(2) .
Cu1 Er1 O2 C12 -164.5(3) .
Cu1 Er1 O1 C23 161.5(3) .
Cu1 O2 C12 C10 173.7(2) .
Cu1 O2 C12 C32 -5.9(4) .
Cu1 O1 C23 C28 -159.1(2) .
Cu1 O1 C23 C37 20.6(4) .
Cu1 N16 C26 C6 -28.1(4) .
Cu1 N16 C29 C32 1.3(5) .
Cu1 N18 C59 C37 3.2(5) .
Cu4 C102 C103 Cu5 166(4) .
Cu4 C104 C105 Cu3 15(9) .
Cu5 N5 C7 C1G 42(21) .
Cu6 C108 C109 Cu5 26(6) .
Cl1 Er1 Cu2 O4 -63.07(9) .
Cl1 Er1 Cu2 O3 79.58(10) .
Cl1 Er1 Cu2 N15 119.13(12) .
Cl1 Er1 Cu2 N20 -102.30(12) .
Cl1 Er1 Cu1 O2 -43.02(9) .
Cl1 Er1 Cu1 O1 173.65(10) .
Cl1 Er1 Cu1 N16 -12.97(13) .
Cl1 Er1 Cu1 N18 126.68(12) .
Cl1 Er1 O4 Cu2 123.81(7) .
Cl1 Er1 O4 C21 -85.1(2) .
Cl1 Er1 O3 Cu2 -111.06(8) .
Cl1 Er1 O3 C14 85.1(2) .
Cl1 Er1 O2 Cu1 147.36(7) .
Cl1 Er1 O2 C12 -17.1(2) .
Cl1 Er1 O1 Cu1 -18.1(3) .
Cl1 Er1 O1 C23 143.4(2) .
Cl2 Er1 Cu2 O4 173.77(9) .
Cl2 Er1 Cu2 O3 -43.59(10) .
Cl2 Er1 Cu2 N15 -4.03(12) .
Cl2 Er1 Cu2 N20 134.54(12) .
Cl2 Er1 Cu1 O2 76.93(9) .
Cl2 Er1 Cu1 O1 -66.41(10) .
Cl2 Er1 Cu1 N16 106.97(13) .
Cl2 Er1 Cu1 N18 -113.38(12) .
Cl2 Er1 O4 Cu2 -17.1(2) .
Cl2 Er1 O4 C21 134.0(2) .
Cl2 Er1 O3 Cu2 146.35(7) .
Cl2 Er1 O3 C14 -17.5(3) .
Cl2 Er1 O2 Cu1 -110.75(8) .
Cl2 Er1 O2 C12 84.7(2) .
Cl2 Er1 O1 Cu1 119.04(8) .
Cl2 Er1 O1 C23 -79.5(3) .
C6 N18 C59 C37 -179.7(3) .
O4 Er1 Cu2 O3 142.65(13) .
O4 Er1 Cu2 N15 -177.80(14) .
O4 Er1 Cu2 N20 -39.23(15) .
O4 Er1 Cu1 O2 -121.03(10) .
O4 Er1 Cu1 O1 95.64(11) .
O4 Er1 Cu1 N16 -90.98(14) .
O4 Er1 Cu1 N18 48.67(12) .
O4 Er1 O3 Cu2 -22.65(8) .
O4 Er1 O3 C14 173.5(3) .
O4 Er1 O2 Cu1 54.33(9) .
O4 Er1 O2 C12 -110.2(2) .
O4 Er1 O1 Cu1 -74.46(9) .
O4 Er1 O1 C23 87.0(3) .
O4 Cu2 O3 Er1 25.79(9) .
O4 Cu2 O3 C14 -168.4(2) .
O4 Cu2 N15 C31 102(2) .
O4 Cu2 N15 C33 -75(3) .
O4 Cu2 N20 C41 -5.9(3) .
O4 Cu2 N20 C78 172.5(2) .
O4 C21 C22 C42 -177.3(3) .
O4 C21 C34 C41 -7.9(5) .
O4 C21 C34 C53 176.6(3) .
O3 Er1 Cu2 O4 -142.65(13) .
O3 Er1 Cu2 N15 39.55(15) .
O3 Er1 Cu2 N20 178.12(15) .
O3 Er1 Cu1 O2 -174.37(10) .
O3 Er1 Cu1 O1 42.30(11) .
O3 Er1 Cu1 N16 -144.33(14) .
O3 Er1 Cu1 N18 -4.68(13) .
O3 Er1 O4 Cu2 22.84(8) .
O3 Er1 O4 C21 173.9(2) .
O3 Er1 O2 Cu1 10.8(2) .
O3 Er1 O2 C12 -153.7(2) .
O3 Er1 O1 Cu1 -142.61(10) .
O3 Er1 O1 C23 18.8(3) .
O3 Cu2 O4 Er1 -25.24(8) .
O3 Cu2 O4 C21 -177.9(2) .
O3 Cu2 N15 C31 168.1(2) .
O3 Cu2 N15 C33 -8.9(3) .
O3 Cu2 N20 C41 73(4) .
O3 Cu2 N20 C78 -108(4) .
O3 C14 C44 C33 1.4(5) .
O3 C14 C44 C72 -178.5(3) .
O3 C14 C55 C64 179.6(3) .
C10 C12 C32 C29 -178.2(3) .
C10 C12 C32 C30 2.5(4) .
C10 C27 N40 C16 -179.5(4) .
C10 C27 N40 C19 -0.7(6) .
C10 C27 C47 C30 0.0(5) .
O2 Er1 Cu2 O4 50.43(11) .
O2 Er1 Cu2 O3 -166.93(11) .
O2 Er1 Cu2 N15 -127.37(13) .
O2 Er1 Cu2 N20 11.20(13) .
O2 Er1 Cu1 O1 -143.33(13) .
O2 Er1 Cu1 N16 30.04(15) .
O2 Er1 Cu1 N18 169.70(14) .
O2 Er1 O4 Cu2 -136.63(9) .
O2 Er1 O4 C21 14.5(2) .
O2 Er1 O3 Cu2 25.2(2) .
O2 Er1 O3 C14 -138.7(2) .
O2 Er1 O1 Cu1 22.52(8) .
O2 Er1 O1 C23 -176.0(3) .
O2 Cu1 O1 Er1 -25.03(9) .
O2 Cu1 O1 C23 171.5(2) .
O2 Cu1 N16 C26 179.2(2) .
O2 Cu1 N16 C29 -4.2(3) .
O2 Cu1 N18 C6 -90.2(7) .
O2 Cu1 N18 C59 87.2(7) .
O2 C12 C32 C29 1.3(5) .
O2 C12 C32 C30 -177.9(3) .
C12 C10 C27 N40 -178.6(3) .
C12 C10 C27 C47 1.4(5) .
O1 Er1 Cu2 O4 99.59(10) .
O1 Er1 Cu2 O3 -117.76(11) .
O1 Er1 Cu2 N15 -78.21(13) .
O1 Er1 Cu2 N20 60.36(13) .
O1 Er1 Cu1 O2 143.33(13) .
O1 Er1 Cu1 N16 173.37(16) .
O1 Er1 Cu1 N18 -46.97(15) .
O1 Er1 O4 Cu2 -69.57(9) .
O1 Er1 O4 C21 81.5(2) .
O1 Er1 O3 Cu2 55.45(9) .
O1 Er1 O3 C14 -108.4(3) .
O1 Er1 O2 Cu1 -22.08(8) .
O1 Er1 O2 C12 173.4(3) .
O1 Cu1 O2 Er1 24.93(9) .
O1 Cu1 O2 C12 -168.6(2) .
O1 Cu1 N16 C26 -94.7(13) .
O1 Cu1 N16 C29 81.8(13) .
O1 Cu1 N18 C6 -171.3(2) .
O1 Cu1 N18 C59 6.1(3) .
O1 C23 C28 C39 -179.7(3) .
O1 C23 C37 C59 -7.9(5) .
O1 C23 C37 C60 178.4(3) .
C14 C44 C72 C61 -0.9(6) .
C14 C55 C64 C61 -1.5(5) .
C14 C55 C64 N10 177.4(3) .
N15 Cu2 O4 Er1 41(3) .
N15 Cu2 O4 C21 -112(2) .
N15 Cu2 O3 Er1 -151.95(10) .
N15 Cu2 O3 C14 13.9(2) .
N15 Cu2 N20 C41 171.8(3) .
N15 Cu2 N20 C78 -9.8(2) .
N15 C31 C78 N20 -33.9(4) .
N15 C33 C44 C14 4.1(6) .
N15 C33 C44 C72 -176.0(4) .
N16 Cu1 O2 Er1 -159.94(10) .
N16 Cu1 O2 C12 6.5(2) .
N16 Cu1 O1 Er1 -111.6(13) .
N16 Cu1 O1 C23 84.9(13) .
N16 Cu1 N18 C6 13.5(2) .
N16 Cu1 N18 C59 -169.1(3) .
N16 C29 C32 C12 1.2(6) .
N16 C29 C32 C30 -179.6(3) .
N18 Cu1 O2 Er1 -57.0(7) .
N18 Cu1 O2 C12 109.5(6) .
N18 Cu1 O1 Er1 145.58(10) .
N18 Cu1 O1 C23 -17.8(2) .
N18 Cu1 N16 C26 8.4(2) .
N18 Cu1 N16 C29 -175.0(3) .
N18 C6 C26 N16 38.3(4) .
N20 Cu2 O4 Er1 153.12(10) .
N20 Cu2 O4 C21 0.5(2) .
N20 Cu2 O3 Er1 -53(4) .
N20 Cu2 O3 C14 112(4) .
N20 Cu2 N15 C31 -10.3(2) .
N20 Cu2 N15 C33 172.7(3) .
C21 C22 C42 N36 -179.7(3) .
C21 C22 C42 C62 0.8(5) .
C21 C34 C41 N20 2.0(5) .
C21 C34 C53 C62 0.5(5) .
C22 C21 C34 C41 172.9(3) .
C22 C21 C34 C53 -2.6(4) .
C22 C42 C62 C53 -3.0(5) .
C23 C28 C39 N69 -179.3(3) .
C23 C28 C39 C74 1.1(5) .
C23 C37 C59 N18 -4.8(5) .
C23 C37 C60 C74 1.7(5) .
C26 C6 N18 Cu1 -32.0(4) .
C26 C6 N18 C59 150.6(3) .
C26 N16 C29 C32 177.5(3) .
C27 C10 C12 O2 177.8(3) .
C27 C10 C12 C32 -2.7(5) .
C27 N40 C16 C18 87.0(5) .
C27 N40 C19 C11 -79.3(5) .
C28 C23 C37 C59 171.7(3) .
C28 C23 C37 C60 -2.0(4) .
C28 C39 N69 C15 6.9(5) .
C28 C39 N69 C1A 175.2(4) .
C28 C39 C74 C60 -1.4(5) .
C29 N16 C26 C6 155.3(3) .
C31 N15 C33 C44 -174.7(3) .
C32 C30 C47 C27 0.1(6) .
C33 N15 C31 C78 -155.7(3) .
C33 C44 C72 C61 179.2(4) .
C34 C21 C22 C42 2.0(5) .
C34 C53 C62 C42 2.4(6) .
N36 C42 C62 C53 177.5(3) .
C37 C23 C28 C39 0.6(5) .
C37 C60 C74 C39 0.0(6) .
C39 N69 C15 C1B 73.5(5) .
C39 N69 C1A C1F -86.2(6) .
N40 C27 C47 C30 180.0(4) .
C41 N20 C78 C31 -154.6(3) .
C41 C34 C53 C62 -175.4(3) .
C42 N36 C4 C17 79.2(4) .
C42 N36 C13 C1C 85.6(5) .
C44 C14 C55 C64 -0.8(5) .
C47 C27 N40 C16 0.5(6) .
C47 C27 N40 C19 179.3(4) .
C47 C30 C32 C12 -1.3(5) .
C47 C30 C32 C29 179.4(3) .
C53 C34 C41 N20 177.4(3) .
C55 C14 C44 C33 -178.2(3) .
C55 C14 C44 C72 1.9(5) .
C55 C64 N10 C20 173.4(4) .
C55 C64 N10 C9 -12.0(6) .
C59 C37 C60 C74 -172.4(3) .
C60 C37 C59 N18 168.7(3) .
C61 C64 N10 C20 -7.8(6) .
C61 C64 N10 C9 166.8(4) .
C64 C61 C72 C44 -1.4(6) .
C64 N10 C20 C1E 89.6(7) .
C64 N10 C9 C1D 95.8(5) .
N69 C39 C74 C60 179.0(3) .
C72 C61 C64 C55 2.5(6) .
C72 C61 C64 N10 -176.3(4) .
C74 C39 N69 C15 -173.5(4) .
C74 C39 N69 C1A -5.2(6) .
C78 N20 C41 C34 -172.8(3) .
C4 N36 C42 C22 4.5(5) .
C4 N36 C42 C62 -176.0(3) .
C4 N36 C13 C1C -101.8(5) .
C13 N36 C42 C22 176.8(3) .
C13 N36 C42 C62 -3.7(5) .
C13 N36 C4 C17 -93.3(4) .
C15 N69 C1A C1F 82.5(6) .
C16 N40 C19 C11 99.6(5) .
C19 N40 C16 C18 -91.8(5) .
C20 N10 C9 C1D -89.4(5) .
C9 N10 C20 C1E -85.3(6) .
C1A N69 C15 C1B -95.1(5) .
