Bis(acetato-<i>O</i>)bis(urea-<i>O</i>)zinc(II), [Zn(H~2~NCONH~2~)~2~(CH~3~COO)~2~]
Yar, O.; Lessinger, L.; Acta Crystallographica Section C 51 (1995) 2282–2285; doi:10.1107/S0108270195006974

data_2004091
_publ_section_title
;
 Bis(acetato-<i>O</i>)bis(urea-<i>O</i>)zinc(II),
 [Zn(H~2~NCONH~2~)~2~(CH~3~COO)~2~]
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2282
_journal_page_last               2285
_journal_paper_doi               10.1107/S0108270195006974
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C6 H14 N4 O6 Zn'
_chemical_formula_weight         303.58
_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_type_scat_source           IntTabC
_audit_creation_method           SHELXL
_cell_angle_alpha                80.81(2)
_cell_angle_beta                 73.64(2)
_cell_angle_gamma                71.71(2)
_cell_formula_units_Z            2
_cell_length_a                   7.467(2)
_cell_length_b                   8.161(3)
_cell_length_c                   10.717(2)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    297
_cell_measurement_theta_max      12.69
_cell_measurement_theta_min      4.43
_cell_volume                     593.1(3)
_diffrn_measurement_device       'Nicolet P3'
_diffrn_measurement_method       'Wyckoff \w'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0198
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2265
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        <+-2.0
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.09
_exptl_absorpt_correction_T_max  0.726
_exptl_absorpt_correction_T_min  0.554
_exptl_absorpt_correction_type   'empirical via \y scans of 6 reflections'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_meas      1.690(10)
_exptl_crystal_description       block
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.44
_refine_ls_extinction_method
'F~c~^*^ = F~c~(1+7.93x10^-6^F~c~^2^/sin2\q]^-1/4^'
_refine_ls_goodness_of_fit_obs   1.052
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     211
_refine_ls_number_reflns         2088
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_obs          0.0319
_refine_ls_shift/esd_max         '0.062 [y of H(63)]'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
w = 1/[\s^2^(F~o~^2^) + (0.0415P)^2^+0.257P]
where P = [max(F~o~^2^,0) + 2F~c~^2^]/3
;
_refine_ls_wR_factor_obs         0.0806
_reflns_number_observed          1786
_reflns_number_total             2088
_reflns_observed_criterion       F~o~>4\s(F~o~)
_cod_data_source_file            bk1082.cif
_cod_data_source_block           bk1082a
_cod_original_cell_volume        593.1
_cod_database_code               2004091