Copper(i) complexes with phosphine derived from sparfloxacin. Part I - structures, spectroscopic properties and cytotoxicity.
Komarnicka, Urszula K.; Starosta, Radosław; Kyzioł, Agnieszka; Jeżowska-Bojczuk, Małgorzata; Dalton transactions (Cambridge, England : 2003) 44 (2015) 12688–12699; doi:10.1039/c5dt01146a

data_7035266
_publ_section_title
;
 Copper(i) complexes with phosphine derived from sparfloxacin. Part I -
 structures, spectroscopic properties and cytotoxicity.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12688
_journal_page_last               12699
_journal_paper_doi               10.1039/c5dt01146a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C27 H25 Cu I N2 O P'
_chemical_formula_sum            'C27 H25 Cu I N2 O P'
_chemical_formula_weight         614.90
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-02-24 deposited with the CCDC.
2015-05-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_b                   14.416(4)
_cell_length_c                   34.669(8)
_cell_measurement_reflns_used    4583
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_cell_measurement_theta_min      3.15
_cell_volume                     4950(2)
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_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2009)'
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_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device_type  'Kuma KM4CCD \k-axis diffractometer'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0267
_diffrn_reflns_av_unetI/netI     0.0187
_diffrn_reflns_laue_measured_fraction_full 0.982
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_diffrn_reflns_limit_h_min       -9
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_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            27933
_diffrn_reflns_point_group_measured_fraction_full 0.982
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_diffrn_reflns_theta_full        25.500
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_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
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'Re-crystallisation from solvent: dichloromatane/methanol'
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_exptl_crystal_size_min          0.200
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5928
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0535P)^2^+9.7550P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.0977
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5200
_reflns_number_total             5928
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt01146a2.cif
_cod_data_source_block           1-POH
_cod_depositor_comments
'Adding full bibliography for 7035265--7035267.cif.'
_cod_database_code               7035266
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.435
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_shelx_res_checksum              12488