Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?
Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng; Dalton Transactions 46 (2017) 12474–12486; doi:10.1039/C7DT02152F

data_1546859
_publ_section_title
;
 Do alkyl groups on aromatic or aliphatic structure directing agents
 affect water stabilities and properties of hybrid iodoargentates?
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              12474
_journal_page_last               12486
_journal_paper_doi               10.1039/C7DT02152F
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C4 H8 Ag I2 N'
_chemical_formula_weight         431.78
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-06-01 deposited with the CCDC.
2017-08-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 123.617(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.8097(8)
_cell_length_b                   7.5317(3)
_cell_length_c                   9.9117(4)
_cell_measurement_reflns_used    1500
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4710
_cell_measurement_theta_min      4.9220
_cell_volume                     920.67(9)
_computing_cell_refinement
;                                                                   
CrysAlisPro, Agilent Technologies,                                  
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)           
(compiled Aug 13 2014,18:06:01)                                     
;
_computing_data_collection
;                                                                   
CrysAlisPro, Agilent Technologies,                                  
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)           
(compiled Aug 13 2014,18:06:01)                                     
;
_computing_data_reduction
;                                                                   
CrysAlisPro, Agilent Technologies,                                  
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)           
(compiled Aug 13 2014,18:06:01)                                     
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3817
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.486
_diffrn_reflns_theta_min         3.169
_exptl_absorpt_coefficient_mu    8.816
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.115
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.788
_refine_diff_density_min         -1.269
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     55
_refine_ls_number_reflns         914
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0397P)^2^+3.8078P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0752
_reflns_Friedel_coverage         0.000
_reflns_number_gt                812
_reflns_number_total             914
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt02152f2.cif
_cod_data_source_block           x
_cod_original_cell_volume        920.67(8)
_cod_database_code               1546859
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   'not measured'
_shelx_estimated_absorpt_t_max   'not measured'
_shelx_res_checksum              11633