Synthesis, crystal structure and electrospray ionisation mass spectrometry of a novel one-dimensional cyano-bridged Ni(II)‒Au(I) polymer
Chu, Ivan K.; Shek, Iris P. Y.; Michael Siu, K. W.; Wong, Wing-Tak; Zuo, Jing-Lin; Lau, Tai-Chu; New Journal of Chemistry 24 (2000) 765–; doi:10.1039/b003673k

data_7051318
_publ_contact_author
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    ENTER NAME
 ENTER ADDRESS
;
_publ_section_title
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 Synthesis, crystal structure and electrospray ionisation mass
 spectrometry of a novel one-dimensional cyano-bridged Ni(II)--Au(I)
 polymer
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_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              765
_journal_paper_doi               10.1039/b003673k
_journal_volume                  24
_journal_year                    2000
_chemical_formula_sum            'C10 H18 Au2 N8 Ni'
_chemical_formula_weight         702.94
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Mon Dec 14 17:05:15 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 105.90(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.140(1)
_cell_length_b                   16.191(1)
_cell_length_c                   14.008(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1775.5(4)
_computing_cell_refinement       'Marrearch Image Plate'
_computing_data_collection       'Marrearch Image Plate'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device       'Image Plate'
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17070
_diffrn_reflns_theta_max         25.52
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    17.597
_exptl_absorpt_correction_type   'Interimage Scaling'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.629
_exptl_crystal_description       block
_exptl_crystal_F_000             1280.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.220
_refine_diff_density_max         2.92
_refine_diff_density_min         -4.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.315
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         1836
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0569
_refine_ls_shift/esd_max         0.0140
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0666
_reflns_number_observed          1836
_reflns_number_total             3149
_reflns_observed_criterion       3.00
_cod_data_source_file            b003673k.txt
_cod_data_source_block           wtwong493-TCLau020
_cod_depositor_comments
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The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 40 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C10 H18 Au2 N8 Ni '
_cod_database_code               7051318