Zinc cyanamide, Zn(CN~2~)
Becker, Michael; Jansen, Martin; Acta Crystallographica Section C 57 (2001) 347–348; doi:10.1107/S0108270101000865

data_2011885
_publ_section_title
;
 Zinc cyanamide, Zn(CN~2~)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              347
_journal_page_last               348
_journal_paper_doi               10.1107/S0108270101000865
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'ZnCN2 '
_chemical_formula_sum            'C N2 Zn'
_chemical_formula_weight         105.40
_chemical_melting_point          'substance decomposes befor melting'
_chemical_name_common            'zinc cyanamide'
_chemical_name_systematic
;
 zinc cyanamide
;
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.8047(2)
_cell_length_b                   8.8047(2)
_cell_length_c                   5.4329(2)
_cell_measurement_reflns_used    557
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      37.55
_cell_measurement_theta_min      4.41
_cell_volume                     421.17(2)
_computing_cell_refinement       'SMART CCD software'
_computing_data_collection       'SMART CCD software (Bruker, 1997)'
_computing_data_reduction        'SMART CCD software'
_computing_molecular_graphics    'DIAMOND (Bergerhoff, 1994)'
_computing_publication_material  'Word for windows97'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .997
_diffrn_measured_fraction_theta_max .997
_diffrn_measurement_device_type  'Bruker AXS SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0751
_diffrn_reflns_av_sigmaI/netI    .0351
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4078
_diffrn_reflns_theta_full        37.51
_diffrn_reflns_theta_max         37.51
_diffrn_reflns_theta_min         4.41
_exptl_absorpt_coefficient_mu    11.227
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.324
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             400
_exptl_crystal_size_max          .06
_exptl_crystal_size_mid          .04
_exptl_crystal_size_min          .04
_refine_diff_density_max         .750
_refine_diff_density_min         -.659
_refine_ls_abs_structure_details '(Flack, 1983)'
_refine_ls_abs_structure_Flack   .09(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     20
_refine_ls_number_reflns         557
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          .0268
_refine_ls_R_factor_gt           .0233
_refine_ls_shift/su_max          .000
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0262P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0534
_reflns_number_gt                509
_reflns_number_total             557
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            iz1010.cif
_cod_data_source_block           I
_cod_database_code               2011885
_cod_database_fobs_code          2011885