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_4319034
_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         'C9 H16 Ag3 Cu N9 '
_chemical_formula_structural     '[Cu(H2NCH2CH2NH2)2][Ag(CN)2][NCAgCNAgCN] '
_chemical_formula_sum            'C9 H16 Ag3 Cu N9'
_chemical_formula_weight         637.43
_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                69.739(12)
_cell_angle_beta                 89.622(12)
_cell_angle_gamma                70.226(12)
_cell_formula_units_Z            1
_cell_length_a                   6.6945(10)
_cell_length_b                   8.2741(13)
_cell_length_c                   9.0411(12)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      20.00
_cell_volume                     438.63(12)
_computing_cell_refinement       'NRCVAX CREDUC'
_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_refinement
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_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  0.008
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2128
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 300
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    4.48
_exptl_absorpt_correction_T_max  0.6533
_exptl_absorpt_correction_T_min  0.4837
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.413
_exptl_crystal_description       prism
_exptl_crystal_F_000             300.13
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.35(8)
_refine_diff_density_min         -0.53(8)
_refine_ls_extinction_coef       663(57)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_all   2.42
_refine_ls_goodness_of_fit_obs   2.42
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     106
_refine_ls_number_reflns         1690
_refine_ls_R_factor_all          0.030
_refine_ls_R_factor_obs          0.021
_refine_ls_shift/esd_max         0.0003
_refine_ls_shift/esd_mean        0.00004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w = 1/(.500E-02*F +0.00 *\s^2^(F ) + 0.00 )
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.026
_refine_ls_wR_factor_obs         0.024
_reflns_number_observed          1691
_reflns_number_total             2025
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_data_source_file            ic025850p_s1_2.cif
_cod_data_source_block           cuenag
_cod_original_cell_volume        438.63(11)
_cod_original_formula_sum        'C9 H16 Ag3 Cu N9 '
_cod_database_code               4319034