Design, Synthesis, and Evaluation of CF<sub>3</sub>AuCNR Precursors for Focused Electron Beam-Induced Deposition of Gold.
Carden, Will G.; Thorman, Rachel M.; Unlu, Ilyas; Abboud, Khalil A.; Fairbrother, D. Howard; McElwee-White, Lisa; ACS applied materials & interfaces 11 (2019) 11976–11987; doi:10.1021/acsami.8b18368

data_4514600
_publ_section_title
;
 Design, Synthesis, and Evaluation of CF<sub>3</sub>AuCNR Precursors for
 Focused Electron Beam-Induced Deposition of Gold.
;
_journal_issue                   12
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              11976
_journal_page_last               11987
_journal_paper_doi               10.1021/acsami.8b18368
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C3 H3 Au F3 N'
_chemical_formula_weight         307.03
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
; 
2018-09-14 # Formatted by publCIF 
  
;
_cell_angle_alpha                90
_cell_angle_beta                 98.9460(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.1992(12)
_cell_length_b                   5.8322(4)
_cell_length_c                   5.6685(4)
_cell_measurement_reflns_used    9960
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.96
_cell_measurement_theta_min      2.40
_cell_volume                     561.69(7)
_computing_cell_refinement       'Bruker APEX3 (Bruker, 2014)'
_computing_data_collection       'Bruker APEX3 (Bruker, 2014)'
_computing_data_reduction        'Bruker Apex3 SAINT (Bruker, 2014)'
_computing_molecular_graphics    'XP in SHELXTL-plus, Bruker 2014'
_computing_publication_material  'SHELXL2014/7, Sheldrick, G. M. 2014'
_computing_structure_refinement  'SHELXL2014/7, Sheldrick G. M. 2014'
_computing_structure_solution    'SHELXL2014/7, Sheldrick G. M. 2014'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Bruker APEX-II DUO'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0198
_diffrn_reflns_av_unetI/netI     0.0092
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            12460
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         33.965
_diffrn_reflns_theta_min         2.398
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    26.143
_exptl_absorpt_correction_T_max  0.2279
_exptl_absorpt_correction_T_min  0.0710
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
'Sheldrick, G. M., sadabs (2014). Acta Cryst. C71, 3--8.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.631
_exptl_crystal_description       needle
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.226
_exptl_crystal_size_mid          0.108
_exptl_crystal_size_min          0.093
_refine_diff_density_max         1.095
_refine_diff_density_min         -0.974
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.256
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     48
_refine_ls_number_reflns         1167
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.256
_refine_ls_R_factor_all          0.0108
_refine_ls_R_factor_gt           0.0105
_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^)+(0.0111P)^2^+1.2787P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0265
_refine_ls_wR_factor_ref         0.0265
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1149
_reflns_number_total             1167
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am8b18368_si_002.cif
_cod_data_source_block           will7
_cod_database_code               4514600
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.067
_shelx_estimated_absorpt_t_max   0.195
_shelx_res_checksum              13300
_shelx_hkl_checksum              14575