Pivalate complexes of copper(ii) with aliphatic amines as potential precursors for depositing nanomaterials from the gas phase
Butrymowicz-Kubiak, A.; Luba, W.; Madajska, K.; Muzioł, T.; Szymańska, I. B.; New Journal of Chemistry 48 (2024) 6232–6245; doi:10.1039/D3NJ04959K

data_7063087
_publ_section_title
;
 Pivalate complexes of copper(ii) with aliphatic amines as potential
 precursors for depositing nanomaterials from the gas phase
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6232
_journal_page_last               6245
_journal_paper_doi               10.1039/D3NJ04959K
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety
'(Cu 2+)3, (C5 H9 O2 1-)4, (O H 1-)2, (C3 H9 N)2'
_chemical_formula_sum            'C26 H56 Cu3 N2 O10'
_chemical_formula_weight         747.34
_chemical_properties_physical
'Air-sensitive,Moisture-sensitive,unstable during diffraction experiments'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2023-05-09 deposited with the CCDC.	2024-02-22 downloaded from the CCDC.
;
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_cell_length_b                   12.462(4)
_cell_length_c                   12.7926(14)
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_cell_measurement_temperature    100(2)
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_cell_volume                     875.6(4)
_computing_cell_refinement       'CrysAlisPro 1.171.42.55a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.55a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.55a (Rigaku OD, 2022)'
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_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_av_unetI/netI     0.1432
_diffrn_reflns_Laue_measured_fraction_full 0.887
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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)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_description       'tiny needle'
_exptl_crystal_F_000             393
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.919
_refine_diff_density_min         -1.063
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2831
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_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1846
_refine_ls_R_factor_gt           0.1094
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2815
_refine_ls_wR_factor_ref         0.3288
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1473
_reflns_number_total             2831
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           new-wl5-3D-R1-25shape
_cod_depositor_comments
'Adding full bibliography for 7063085--7063088.cif.'
_cod_original_cell_volume        875.5(4)
_cod_database_code               7063087
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.786
_shelx_estimated_absorpt_t_max   0.951
_shelx_res_checksum              20034