Crystal structure of poly(bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7- (1-piperazinyl)-1,8-naphtyridine-3-carboxylato)-zinc(II)) dihydrate, Zn(C~15~H~16~FN~4~O~3~)~2~ · 2H~2~O
An, Z.; Cui, R.-H.; Wang, R.-S.; Zeitschrift für Kristallographie - New Crystal Structures 222 (2007) 135–136; doi:

data_8102102
_publ_section_title
;
Crystal structure of poly(bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-
(1-piperazinyl)-1,8-naphtyridine-3-carboxylato)-zinc(II)) dihydrate, 
Zn(C~15~H~16~FN~4~O~3~)~2~ &#x00B7; 2H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              135
_journal_page_last               136
_journal_volume                  222
_journal_year                    2007
_chemical_formula_moiety         'C30 H32 F2 N8 O6 Zn, 2(H2 O)'
_chemical_formula_structural     'Zn(C15H16FN4O3)2 &#x00B7; 2H2O'
_chemical_formula_sum            'C30 H32 F2 N8 O8 Zn'
_chemical_formula_weight         736.01
_chemical_name_systematic
; 
poly(bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-
(1-piperazinyl)-1,8-naphtyridine-3-carboxylato)zinc(II))
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 100.379(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            2
_cell_length_a                   5.939(5)
_cell_length_b                   21.462(5)
_cell_length_c                   13.195(5)
_cell_measurement_reflns_used    7899
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      1.84
_cell_volume                     1654.4(16)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8267
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    0.815
_exptl_absorpt_correction_T_max  0.8944
_exptl_absorpt_correction_T_min  0.7920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.671
_refine_diff_density_min         -0.376
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         2933
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0428
_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^)+(0.0717P)^2^+0.8778P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1247
_refine_ls_wR_factor_ref         0.1332
_reflns_number_gt                2342
_reflns_number_total             2933
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1980.cff
_cod_data_source_block           Zn-enox
_cod_original_sg_symbol_H-M      P12(1)/c1
_cod_database_code               8102102