Poly[(μ~3~-camphorato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]
Shi, Haochen; Li, Chunjie; Gao, Feng; Chen, Jingyan; Han, Fei; Acta Crystallographica Section E 66 (2010) m352–; doi:10.1107/S1600536810007105

data_2225481
_publ_section_title
;
 Poly[(\m~3~-camphorato-\k^3^<i>O</i>:<i>O</i>':<i>O</i>'')(2-methyl-1<i>H</i>-imidazole-\k<i>N</i>^3^)zinc(II)]
;
_journal_coeditor_code           CV2697
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m352
_journal_paper_doi               10.1107/S1600536810007105
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Zn (C10 H14 O4) (C4 H6 N2)]'
_chemical_formula_moiety         'C14 H20 N2 O4 Zn'
_chemical_formula_sum            'C14 H20 N2 O4 Zn'
_chemical_formula_weight         345.69
_chemical_name_systematic
;
Poly[(\m~3~-camphorato-\k^3^<i>O</i>:<i>O</i>':<i>O</i>'')(2-
methyl-1<i>H</i>-imidazole-\k<i>N</i>^3^)zinc(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 111.700(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.098(2)
_cell_length_b                   10.438(5)
_cell_length_c                   12.873(2)
_cell_measurement_reflns_used    3004
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.15
_cell_measurement_theta_min      1.97
_cell_volume                     1510.4(8)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    '<i>SHELXTL-Plus</i> (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9848
_diffrn_reflns_theta_full        26.15
_diffrn_reflns_theta_max         26.15
_diffrn_reflns_theta_min         1.97
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.643
_exptl_absorpt_correction_T_max  0.72
_exptl_absorpt_correction_T_min  0.57
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.131
_refine_diff_density_min         -0.412
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         3004
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0485
_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^)+(0.0392P)^2^+5.0738P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1150
_refine_ls_wR_factor_ref         0.1206
_reflns_number_gt                2433
_reflns_number_total             3004
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2697.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2225481
_cod_database_fobs_code          2225481