[Au(CN)4]- as a Supramolecular Building Block for Heterobimetallic Coordination Polymers
Carolyn J. Shorrock; Howard Jong; Raymond J. Batchelor; Daniel B. Leznoff; Inorganic Chemistry 42 (2003) 3917–3924; doi:10.1021/ic0341441

data_4313779
_publ_contact_author
;
 D. B. Leznoff
 Dept. of Chemistry, Simon Fraser University
 8888 University Way
 Burnaby, B.C.
 Canada
 V5A 1S6
;
_publ_contact_author_email       dleznoff@sfu.ca
_publ_contact_author_fax         604-291-3765
_publ_contact_author_phone       604-291-4887
_publ_section_title
;
 [Au(CN)4]- as a Supramolecular Building Block for Heterobimetallic
 Coordination Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3917
_journal_page_last               3924
_journal_paper_doi               10.1021/ic0341441
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         ' C12 H18 Au2 N12 Ni1 O1 '
_chemical_formula_structural     '[Ni(H2NCH2CH2NH2)2][Au(CN)4]2H2O '
_chemical_formula_sum            'C12 H18 Au2 N12 Ni O'
_chemical_formula_weight         798.98
_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'
_cell_angle_alpha                73.00(2)
_cell_angle_beta                 77.16(2)
_cell_angle_gamma                68.90(1)
_cell_formula_units_Z            2
_cell_length_a                   8.372(1)
_cell_length_b                   9.844(1)
_cell_length_c                   14.819(3)
_cell_measurement_reflns_used    32
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.50
_cell_measurement_theta_min      24.00
_cell_volume                     1080.2(3)
_computing_cell_refinement       'NRCVAX DATRD2'
_computing_data_collection       'NRC DIFRAC'
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics
; 
 CAMERON (Watkin et al 1996) 
 ORTEP 3 (Farrugia 1997)
;
_computing_publication_material
; 
 CRYSTALS (Watkin et al 2001) 
;
_computing_structure_refinement
; 
 CRYSTALS (Watkin et al 2001) 
;
_computing_structure_solution    'SIR 92 (Altomare et al, 1994)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Theta/2theta scan b/P/b '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.15
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5228
_diffrn_reflns_theta_max         26.54
_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        1.4
_diffrn_standards_interval_count 300
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    14.404
_exptl_absorpt_correction_T_max  0.9968
_exptl_absorpt_correction_T_min  0.4804
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            'pale purple '
_exptl_crystal_density_diffrn    2.456
_exptl_crystal_description       ' needle '
_exptl_crystal_F_000             735.65
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.12
_refine_diff_density_min         -1.07
_refine_ls_extinction_coef       15.7(13)
_refine_ls_extinction_method
'Larson 1970 Crystallographic Computing eq 22'
_refine_ls_goodness_of_fit_ref   1.2733
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         3655
_refine_ls_R_factor_gt           0.0219
_refine_ls_shift/su_max          0.002313
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w = 1/(.160E-01*F +0.00 *\s^2^(F ) + 0.00 ) 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0285
_reflns_limit_h_max              10
_reflns_limit_h_min              -10
_reflns_limit_k_max              12
_reflns_limit_k_min              -11
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_total             4501
_reflns_threshold_expression     >2.50\s(I)
_cod_data_source_file            ic0341441si20030211_011857_2.cif
_cod_data_source_block           nien2au
_cod_original_cell_volume        1080.3
_cod_original_formula_sum        'C12 H18 Au2 N12 Ni1 O1 '
_cod_database_code               4313779