<i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)cadmium(II)]-di-μ~2~-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^5^]
Zhang, Jinfang; Acta Crystallographica Section E 65 (2009) m1550–; doi:10.1107/S1600536809046364

data_2224398
_publ_section_title
<i>catena</i>-Poly[[bis(dimethylformamide-\k<i>O</i>)cadmium(II)]-di-\m~2~-dicyanamido-\k^4^<i>N</i>^1^:<i>N</i>^5^]
_journal_coeditor_code           PV2226
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1550
_journal_paper_doi               10.1107/S1600536809046364
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cd (C2 N3)2 (C3 H7 N O)2]'
_chemical_formula_sum            'C10 H14 Cd N8 O2'
_chemical_formula_weight         390.70
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(dimethylformamide-\k<i>O</i>)cadmium(II)]-
di-\m~2~-dicyanamido-\k^4^<i>N</i>^1^:<i>N</i>^5^]
;
_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           'SHELXTL (Sheldrick, 2000)'
_cell_angle_alpha                104.28(3)
_cell_angle_beta                 106.90(3)
_cell_angle_gamma                97.05(3)
_cell_formula_units_Z            1
_cell_length_a                   6.5325(13)
_cell_length_b                   7.6003(15)
_cell_length_c                   8.6051(17)
_cell_measurement_reflns_used    1884
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3699
_cell_measurement_theta_min      3.3337
_cell_volume                     387.35(17)
_computing_cell_refinement       'CrystalClear (Rigaku, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXT07 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku Saturn724+'
_diffrn_measurement_method       dtprofit.ref
_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  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0219
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3505
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.33
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.427
_exptl_absorpt_correction_T_max  0.4804
_exptl_absorpt_correction_T_min  0.2386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             194
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.443
_refine_diff_density_min         -0.357
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     97
_refine_ls_number_reflns         1410
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0215
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0390P)^2^+0.0503P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0577
_refine_ls_wR_factor_ref         0.0577
_reflns_number_gt                1408
_reflns_number_total             1410
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pv2226.cif
_cod_data_source_block           I
_cod_database_code               2224398
_cod_database_fobs_code          2224398