The electronic effects of ligands on metal-coordination geometry: a key role in the visual discrimination of dimethylaminopyridine and its application towards chemo-switch
Weiwei Fang; Cong Liu; Jiangbo Chen; Zhengwei Lu; Zhi-Ming Li; Xiaoling Bao; Tao Tu; Chem.Commun. 51 (2015) 4267–; doi:10.1039/C5cc00196J

data_7116629
_publ_section_title
;
 The electronic effects of ligands on metal-coordination geometry: a key
 role in the visual discrimination of dimethylaminopyridine and its
 application towards chemo-switch
;
_journal_name_full               Chem.Commun.
_journal_page_first              4267
_journal_paper_doi               10.1039/C5cc00196J
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C20 H13 Cl Cu F3 N3 O4 S'
_chemical_formula_weight         547.38
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_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-01-27 deposited with the CCDC.
2015-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_formula_units_Z            4
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_computing_cell_refinement       'Bruker SMART'
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_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.985
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0430
_diffrn_reflns_av_unetI/netI     0.0549
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_diffrn_reflns_limit_k_min       -24
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_diffrn_reflns_point_group_measured_fraction_full 0.991
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_exptl_crystal_recrystallization_method 'Vapour Deposition'
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_gt           0.0377
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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^)+(0.0507P)^2^] 
 where P=(Fo^2^+2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
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_shelx_estimated_absorpt_t_max   0.773
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