Heterobimetallic Coordination Polymers Incorporating [M(CN)2]- (M = Cu, Ag) and [Ag2(CN)3]- Units: Increasing Structural Dimensionality via M-M' and M...NC Interactions
Carolyn J. Shorrock; Bao-Yu Xue; Peter B. Kim; Raymond J. Batchelor; Brian O. Patrick; Daniel B. Leznoff; Inorganic Chemistry 41 (2002) 6743–6753; doi:10.1021/ic025850p

data_4319035
_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
;
 Heterobimetallic Coordination Polymers Incorporating [M(CN)2]- (M = Cu,
 Ag) and [Ag2(CN)3]- Units: Increasing Structural Dimensionality via M-M'
 and M...NC Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6743
_journal_page_last               6753
_journal_paper_doi               10.1021/ic025850p
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C17 H26 Ag5 Cu2 N15 '
_chemical_formula_sum            'C17 H26 Ag5 Cu2 N15'
_chemical_formula_weight         1106.92
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.714(8)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   6.9921(7)
_cell_length_b                   17.6629(17)
_cell_length_c                   12.5504(15)
_cell_measurement_reflns_used    58
_cell_measurement_temperature    293
_cell_measurement_theta_max      23.00
_cell_measurement_theta_min      20.00
_cell_volume                     1549.9(3)
_computing_cell_refinement       'NRC DIFRAC'
_computing_data_collection       'NRC DIFRAC'
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics
;
 CAMERON (Watkin, Prout & Pearce,  1996)
 NRCVAX
;
_computing_publication_material
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
NRCVAX TABLES
;
_computing_structure_solution    'NRCVAX SOLVER'
_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     0.70930
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5042
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 300
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    4.45
_exptl_absorpt_correction_T_max  0.8192
_exptl_absorpt_correction_T_min  0.6255
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.372
_exptl_crystal_description       plate
_exptl_crystal_F_000             1042.63
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.48(12)
_refine_diff_density_min         -0.47(12)
_refine_ls_goodness_of_fit_obs   1.27
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         1824
_refine_ls_R_factor_obs          0.028
_refine_ls_shift/esd_max         0.0006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w = 1/(.633E-02*F +0.00 *\s^2^(F ) + 0.00 )
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.021
_reflns_number_observed          1824
_reflns_number_total             3571
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_data_source_file            ic025850p_s1_3.cif
_cod_data_source_block           cudienag
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-19
;
_cod_original_formula_sum        'C17 H26 Ag5 Cu2 N15 '
_cod_database_code               4319035