Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D
Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia; CrystEngComm 21 (2019) 5595–; doi:10.1039/C9CE00943D

data_7233349
_publ_section_title
;
 Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of
 alcohols and nitriles via structural transformations from 1D to 0D
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              5595
_journal_paper_doi               10.1039/C9CE00943D
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C44 H43 Ag2 Cl2 N7 O8 P2'
_chemical_formula_weight         1146.43
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-06-16 deposited with the CCDC.    2019-08-06 downloaded from the CCDC.
;
_cell_angle_alpha                71.2940(10)
_cell_angle_beta                 88.8160(10)
_cell_angle_gamma                86.6360(10)
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_cell_length_b                   14.2159(6)
_cell_length_c                   16.8559(6)
_cell_measurement_reflns_used    9905
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.13
_cell_measurement_theta_min      2.52
_cell_volume                     2388.35(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 0.993
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_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38350
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.134
_diffrn_reflns_theta_min         2.271
_exptl_absorpt_coefficient_mu    1.057
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.16
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_refine_diff_density_max         3.716
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         10520
_refine_ls_number_restraints     119
_refine_ls_restrained_S_all      1.330
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0395
_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^)+(0.0555P)^2^+5.6399P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1141
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9436
_reflns_number_total             10520
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ce00943d2.cif
_cod_data_source_block           Ag2-MeCN
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7233348--7233351.cif.
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_cod_database_code               7233349
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              73849