The construction of dynamic dysprosium-carboxylate ribbons by utilizing the hybrid-ligand conception.
Fang, Yu; Sun, Rong; Sun, Ai-Huan; Sun, Hao-Ling; Gao, Song; Dalton transactions (Cambridge, England : 2003) 50 (2021) 1246–1252; doi:10.1039/d0dt03589k

data_7706100
_publ_section_title
;
 The construction of dynamic dysprosium-carboxylate ribbons by utilizing
 the hybrid-ligand conception.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1246
_journal_page_last               1252
_journal_paper_doi               10.1039/d0dt03589k
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C17 H18 Dy N3 O7'
_chemical_formula_sum            'C17 H18 Dy N3 O7'
_chemical_formula_weight         538.84
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2018-07-01
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-10-15 deposited with the CCDC.	2020-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                65.480(8)
_cell_angle_beta                 84.719(6)
_cell_angle_gamma                85.527(6)
_cell_formula_units_Z            2
_cell_length_a                   8.0805(6)
_cell_length_b                   10.8611(9)
_cell_length_c                   11.6076(8)
_cell_measurement_reflns_used    3198
_cell_measurement_temperature    100
_cell_measurement_theta_max      73.1500
_cell_measurement_theta_min      4.4710
_cell_volume                     922.02(13)
_computing_cell_refinement       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3127
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w    -62.00  25.00   1.00    7.50    --  -39.74  57.00-150.00   87
  2  \w   -112.00 -16.00   1.00    7.50    --  -39.74 -57.00  60.00   96
  3  \w    -63.00  33.00   1.00    7.50    --  -39.74  37.00   0.00   96
  4  \w     87.00 112.00   1.00    7.50    --   39.74 178.00-180.00   25
  5  \w     91.00 129.00   1.00    7.50    --   39.74 178.00  60.00   38
  6  \w     83.00 110.00   1.00   45.00    --  107.19  30.00  90.00   27
  7  \w     42.00 113.00   1.00   45.00    --  107.19-125.00 -30.00   71
  8  \w     84.00 171.00   1.00   45.00    --  107.19  61.00 150.00   87
  9  \w     82.00 172.00   1.00   45.00    --  107.19  61.00-150.00   90
 10  \w     95.00 168.00   1.00   45.00    --  107.19 125.00  90.00   73
 11  \w    113.00 138.00   1.00   45.00    --  107.19 125.00 150.00   25
 12  \w     36.00 135.00   1.00   45.00    --  107.19 -61.00  60.00   99
 13  \w     37.00  93.00   1.00   45.00    --  107.19 -94.00  30.00   56
 14  \w    106.00 167.00   1.00   45.00    --  107.19  45.00 -90.00   61
 15  \w     46.00  94.00   1.00   45.00    --  107.19 -94.00-150.00   48
 16  \w     85.00 121.00   1.00   45.00    --  107.19-125.00 150.00   36
 17  \w     65.00 116.00   1.00   45.00    --  107.19 -45.00 150.00   51
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0634309000
_diffrn_orient_matrix_UB_12      0.0102911000
_diffrn_orient_matrix_UB_13      0.1167243000
_diffrn_orient_matrix_UB_21      0.0847702000
_diffrn_orient_matrix_UB_22      -0.1423089000
_diffrn_orient_matrix_UB_23      0.0393217000
_diffrn_orient_matrix_UB_31      0.1597503000
_diffrn_orient_matrix_UB_32      0.0632076000
_diffrn_orient_matrix_UB_33      -0.0787511000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_unetI/netI     0.0803
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5455
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        66.600
_diffrn_reflns_theta_max         66.600
_diffrn_reflns_theta_min         4.195
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    22.101
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.32a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.941
_exptl_crystal_description       needle
_exptl_crystal_F_000             526
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         4.659
_refine_diff_density_min         -2.056
_refine_diff_density_rms         0.352
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         3250
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0872
_refine_ls_R_factor_gt           0.0825
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1778P)^2^+5.0436P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2336
_refine_ls_wR_factor_ref         0.2388
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2960
_reflns_number_total             3250
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03589k2.cif
_cod_data_source_block           20180630a
_cod_depositor_comments
'Adding full bibliography for 7706099--7706101.cif.'
_cod_database_code               7706100
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C10 H10 N3 O3 Dy1'
_shelx_estimated_absorpt_t_max   0.809
_shelx_estimated_absorpt_t_min   0.405
_reflns_odcompleteness_completeness 99.55
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O2(H2A,H2B)
2.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.740
_oxdiff_exptl_absorpt_empirical_full_min 0.596