Smoothing the single-crystal to single-crystal conversions of a two-dimensional metal-organic framework via the hetero-metal doping of the linear trimetallic secondary building unit.
Chao, Meng-Yao; Chen, Jing; Young, David J.; Zhang, Wen-Hua; Lang, Jian-Ping; Dalton transactions (Cambridge, England : 2003) 47 (2018) 13722–13729; doi:10.1039/c8dt02813c

data_7047516
_publ_section_title
;
 Smoothing the single-crystal to single-crystal conversions of a
 two-dimensional metal-organic framework via the hetero-metal doping of
 the linear trimetallic secondary building unit.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13722
_journal_page_last               13729
_journal_paper_doi               10.1039/c8dt02813c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety
'C64 H42 Cd2.25 Co0.75 N2 O14, C5 H4 N [+ solvent]'
_chemical_formula_sum            'C69 H46 Cd2.25 Co0.75 N3 O14'
_chemical_formula_weight         1438.18
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-07-09 deposited with the CCDC.
2018-09-10 downloaded from the CCDC.
;
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_cell_length_c                   18.460(4)
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_cell_measurement_theta_min      2.33
_cell_volume                     4158.8(14)
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_computing_publication_material  'publCIF (Westrip, 2010)'
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0943
_diffrn_reflns_av_unetI/netI     0.0796
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            85048
_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.291
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    0.769
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 Sheldrick, G.M. SADABS (Program for Scaling and Correction of Area Detector
 Data), version 2008/1; University of G\"ottingen: G\"ottingen, Germany, 2008.
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_description       BLOCK
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_refine_diff_density_min         -2.350
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         14636
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_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.1860
_refine_ls_R_factor_gt           0.1269
_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^)+(0.0676P)^2^+97.1698P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2710
_refine_ls_wR_factor_ref         0.3098
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8816
_reflns_number_total             14636
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7047515--7047518.cif.'
_cod_database_code               7047516
_publcif_datablock.id            {e94378f8-4807-42f0-a913-10c94e3125d8}
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_shelx_res_checksum              32231
_shelx_fab_checksum              66260