Bis(<i>N,N</i>'-diphenylacetamidinato)ethylindium(III)
Aris, Damian R.; Barker, James; Errington, William; Wallbridge, Malcolm G. H.; Acta Crystallographica Section E 60 (2004) m302–m303; doi:10.1107/S1600536804002867

data_2203351
_publ_section_title
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 Bis(<i>N,N</i>'-diphenylacetamidinato)ethylindium(III)
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_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m302
_journal_page_last               m303
_journal_paper_doi               10.1107/S1600536804002867
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[In (C2 H5) (C14 H13 N2)2]'
_chemical_formula_moiety         'C30 H31 In N4'
_chemical_formula_sum            'C30 H31 In N4'
_chemical_formula_weight         562.41
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                107.11(5)
_cell_angle_beta                 94.83(5)
_cell_angle_gamma                111.92(4)
_cell_formula_units_Z            2
_cell_length_a                   10.056(4)
_cell_length_b                   12.014(7)
_cell_length_c                   12.842(8)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    240(2)
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     1342.3(15)
_computing_cell_refinement       'Siemens P3R3 software'
_computing_data_collection       'Siemens P3R3 software'
_computing_data_reduction        'SHELXTL-Plus (Sheldrick, 1994)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS90 (Sheldrick, 1990)'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Siemens P3/R3'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.076
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4504
_diffrn_reflns_theta_full        24.1
_diffrn_reflns_theta_max         24.1
_diffrn_reflns_theta_min         2.1
_diffrn_standards_decay_%        6
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.905
_exptl_absorpt_correction_T_max  0.792
_exptl_absorpt_correction_T_min  0.731
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(Alcock, 1970)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.15
_refine_diff_density_min         -1.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4232
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.05
_refine_ls_R_factor_gt           0.048
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0878P)^2^+0.2286P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.124
_reflns_number_gt                3640
_reflns_number_total             4232
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk6150.cif
_cod_data_source_block           I
_cod_depositor_comments
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The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Gaussian' changed to 'gaussian'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
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_cod_database_code               2203351
_cod_database_fobs_code          2203351