A Novel single source precursor: [bis(N, N-diethyl-N-naphthoyl-selenoureato)palladium(II)] for palladium selenide thin films and nanoparticles
Javeed Akhtar; Rana Farhat Mehmood; Mohammad Azad Malik; Nasir Iqbal; Paul O'Brien; James Raftery; Chem.Commun. 47 (2011) 1899–; doi:10.1039/c0cc03079a

data_7105951
_publ_section_title
;
 A Novel single source precursor: [bis(N,
 N-diethyl-N-naphthoyl-selenoureato)palladium(II)] for palladium selenide
 thin films and nanoparticles
;
_journal_name_full               Chem.Commun.
_journal_page_first              1899
_journal_paper_doi               10.1039/c0cc03079a
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C16 H18 N2 O Se'
_chemical_formula_weight         333.28
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                72.6300(10)
_cell_angle_beta                 85.2970(10)
_cell_angle_gamma                66.5000(10)
_cell_formula_units_Z            4
_cell_length_a                   11.1943(8)
_cell_length_b                   11.2670(8)
_cell_length_c                   13.5411(10)
_cell_measurement_reflns_used    4564
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.2725
_cell_measurement_theta_min      2.205
_cell_volume                     1493.47(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13003
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.24
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    2.511
_exptl_absorpt_correction_T_max  0.9285
_exptl_absorpt_correction_T_min  0.729539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.670
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6788
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0406
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0308P)^2^+1.9235P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0895
_reflns_number_gt                5990
_reflns_number_total             6788
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC03079A_a.TXT
_cod_data_source_block           s3113ma
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105951