Tailoring the dimensionality of metal complexes via ligand modifications.
Le Garff, Paul; Maria Losus, Renny; Chaudhary, Simran; Dobrzańska, Liliana; Acta crystallographica Section B, Structural science, crystal engineering and materials 80 (2024) –; doi:10.1107/S2052520623010260

data_2312384
_publ_section_title
;
 Tailoring the dimensionality of metal complexes via ligand modifications.
;
_journal_issue                   1
_journal_name_full
'Acta crystallographica Section B, Structural science, crystal engineering and materials'
_journal_paper_doi               10.1107/S2052520623010260
_journal_volume                  80
_journal_year                    2024
_chemical_formula_sum            'C38 H48 Cu2 N12 O12'
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_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_unetI/netI     0.0197
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.55a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
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_refine_ls_number_reflns         4292
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_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0304
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+1.0102P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0781
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_reflns_number_gt                4092
_reflns_number_total             4292
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            yv5014sup1.cif
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_cod_database_code               2312384
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.455
_shelx_estimated_absorpt_t_max   0.678
_shelx_res_checksum              71812
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_cod_database_fobs_code 2312384