A lanthanide salen "square prism" and a wrapped exo-lanthanide salen "double decker".
Shu, Yu-Bo; Liu, Wei-Sheng; Dalton transactions (Cambridge, England : 2003) 44 (2015) 6353–6357; doi:10.1039/c4dt03959a

data_7034252
_publ_section_title
;
 A lanthanide salen &quot;square prism&quot; and a wrapped exo-lanthanide
 salen &quot;double decker&quot;.
;
_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       '\f and \w 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/[\s^2^(Fo^2^)+(0.0248P)^2^+2.2268P] where P=(Fo^2^+2Fc^2^)/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
_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'