The Diammoniates of Dipotassiumtetraethinylozincate and -cadmate: K~2~M(C~2~H)~4~ 2NH~3~ (M = Zn, Cd)
Ulrich Cremer; Ingo Pantenburg; Uwe Ruschewitz; Inorganic Chemistry 42 (2003) 7716–7718; doi:10.1021/ic034629p

data_4312593
_publ_contact_author_address
;
        Institut f\"ur Anorganische Chemie
        Universit\"at zu K\"oln
        Greinstra\&se 6
        D-50939 K\"oln
        Germany
;
_publ_contact_author_email       uwe.ruschewitz@uni-koeln.de
_publ_contact_author_fax         '+49 221 470 4899'
_publ_contact_author_name
;
        Prof. Dr. U. Ruschewitz
;
_publ_contact_author_phone       '+49 221 470 3285'
_publ_section_title
;
 The Diammoniates of Dipotassiumtetraethinylozincate and -cadmate:
 K~2~M(C~2~H)~4~ 2NH~3~ (M = Zn, Cd)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7716
_journal_page_last               7718
_journal_paper_doi               10.1021/ic034629p
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'K2Zn(C2H)4 2NH3'
_chemical_formula_sum            'C8 H10 K2 N2 Zn'
_chemical_formula_weight         277.75
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 98.106(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2892(10)
_cell_length_b                   12.7648(19)
_cell_length_c                   14.066(2)
_cell_measurement_temperature    170(2)
_cell_volume                     1295.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0683
_diffrn_reflns_av_sigmaI/netI    0.0445
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5022
_diffrn_reflns_theta_full        24.10
_diffrn_reflns_theta_max         24.10
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    2.500
_exptl_absorpt_correction_T_max  0.6115
_exptl_absorpt_correction_T_min  0.3756
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.301
_refine_diff_density_min         -0.300
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       0.0002(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.933
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     83
_refine_ls_number_reflns         1024
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.933
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0233
_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^)+(0.0265P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0502
_refine_ls_wR_factor_ref         0.0529
_reflns_number_gt                821
_reflns_number_total             1024
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034629psi20030606_090532.cif
_cod_data_source_block           k2znc2h4
_cod_database_code               4312593