Poly[(μ~4~-phenylphosphonato)zinc(II)]
Falvello, Larry; Lotti, Paolo; Massera, Chiara; Tarantino, Serena C.; Zema, Michele; Puschmann, Horst; Agbahoungbata, Marielle Y.; Andreo, Jacopo; Sahadevan, Suchithra Ashoka; Bismuto, Alessandro; Bonfant, Giulia; Bonou, Sourou A. S.; Carraro, Claudia; Zotti, Marta De; di Biase, Armando; Fantini, Riccardo; Ferraboschi, Ilaria; Custodio, Jean Marcos Ferreira; Frigerio, Matteo; Gallo, Gianpiero; Gjyli, Silvana; Goudjil, Meriem; Igoa, Fernando; Kahveci, Enver; Kalienko, Maksim; Lorenzon, Sofia; Macera, Ludovico; Fajardo, Joaqun Joaqun Manrique; Nushi, Enida; Ouaatta, Said; Parisi, Emmanuele; Pasqualetto, Leonardo; Pesko, Edyta; Pierri, Giovanni; Pinalli, Roberta; Poppe, Romy; Santoro, Antonio; Smirnova, Ekaterina; Sorbara, Simona; Tensi, Leonardo; Tusha, Gers; IUCrData 4 (2019) x191222–; doi:10.1107/S2414314619012227

data_1552298
_publ_section_title
;
 Poly[(\m~4~-phenylphosphonato)zinc(II)]
;
_journal_coeditor_code           HB4317
_journal_issue                   9
_journal_name_full               IUCrData
_journal_page_first              x191222
_journal_paper_doi               10.1107/S2414314619012227
_journal_volume                  4
_journal_year                    2019
_chemical_formula_iupac          '[Zn (C6 H5 O3 P)]'
_chemical_formula_moiety         'C6 H5 O3 P Zn'
_chemical_formula_sum            'C6 H5 O3 P Zn'
_chemical_formula_weight         221.474
_chemical_name_systematic
;
Poly[(\m~4~-phenylphosphonato)zinc(II)]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     iterative
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2019.08.16 svn.r3652 for OlexSys, GUI svn.r5895)
;
_cell_angle_alpha                90
_cell_angle_beta                 105.816(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.8549(8)
_cell_length_b                   5.1581(3)
_cell_length_c                   10.5471(6)
_cell_measurement_reflns_used    1658
_cell_measurement_temperature    149.98
_cell_measurement_theta_max      74.777
_cell_measurement_theta_min      6.193
_cell_volume                     777.56(8)
_computing_cell_refinement
;
SAINT (Bruker, 2008)
;
_computing_data_collection
;
APEX2 (Bruker, 2008)
;
_computing_data_reduction
;
SAINT (Bruker, 2008)
;
_computing_molecular_graphics
;
Mercury (Macrae et al., 2006)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
<i>olex2.refine</i> (Bourhis <i>et al.</i>,  2015)
;
_computing_structure_solution
;
<i>olex2.solve</i> (Bourhis <i>et al.</i>,  2015)
;
_diffrn_ambient_temperature      149.98
_diffrn_measured_fraction_theta_full 0.9891
_diffrn_measured_fraction_theta_max 0.9891
_diffrn_measurement_device_type  'Bruker D8 Venture PhotonII'
_diffrn_measurement_method       'phi & omega scan'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1897
_diffrn_reflns_theta_full        72.6793
_diffrn_reflns_theta_max         72.68
_diffrn_reflns_theta_min         6.19
_exptl_absorpt_coefficient_mu    5.982
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.5577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             436.050
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.2276
_refine_diff_density_min         -1.0758
_refine_ls_goodness_of_fit_ref   1.0378
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    21
_refine_ls_number_parameters     138
_refine_ls_number_reflns         1544
_refine_ls_number_restraints     144
_refine_ls_restrained_S_all      0.9884
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0246P)^2^+7.9936P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1210
_reflns_number_gt                1498
_reflns_number_total             1544
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb4317sup1.cif
_cod_data_source_block           global
_cod_database_code               1552298