Factors controlling the structure of alkylzinc amidinates: on the role of N-substituents
Terlecki, Michał; Justyniak, Iwona; Leszczyński, Michał K.; Bernatowicz, Piotr; Lewiński, Janusz; Dalton Transactions 52 (2023) 2712–2721; doi:10.1039/D2DT03722J

data_7712466
_publ_section_title
;
 Factors controlling the structure of alkylzinc amidinates: on the role of
 N-substituents
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              2712
_journal_page_last               2721
_journal_paper_doi               10.1039/D2DT03722J
_journal_volume                  52
_journal_year                    2023
_chemical_formula_sum            'C54 H50 N8 Zn3'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2022-11-20 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;
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_cell_measurement_temperature    100(2)
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_computing_molecular_graphics
;
CrystalMaker (Palmer, D. C. (2014) CrystalMaker Software Ltd, Begbroke, Oxfordshire, England.)
ORTEP III (Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.)
;
_computing_publication_material
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WinGX: Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.)
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'SHELXT (Sheldrick, G. M. (2015). Acta Cryst. A71, 3-8)'
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_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_reflns_limit_k_min       -31
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.988
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_diffrn_reflns_theta_min         3.015
_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.45a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_description       plate
_exptl_crystal_F_000             4160
_exptl_crystal_size_max          0.15
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_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.554
_refine_diff_density_min         -0.532
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0208P)^2^+10.3452P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             21042
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt03722j2.cif
_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7712466
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_shelx_res_checksum              1896
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