Crystal structure of poly[[μ<sub>3</sub>-(<i>S</i>)-2-amino-3-hydroxy-propano-ato]-<i>cis</i>-di-μ-chlorido-caesium-palladium(II)].
Bhadbhade, Mohan Madhav; Charlson, Alexander J.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1898–1902; doi:10.1107/S2056989017016164

data_2311526
_publ_section_title
;
 Crystal structure of
 poly[[\m<sub>3</sub>-(<i>S</i>)-2-amino-3-hydroxy-propano-ato]-<i>cis</i>-di-\m-chlorido-caesium-palladium(II)].
;
_journal_coeditor_code           IM2483
_journal_issue                   'Pt 12'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1898
_journal_page_last               1902
_journal_paper_doi               10.1107/S2056989017016164
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cs Pd (C3 H6 N O3) Cl2]'
_chemical_formula_moiety         'C3 H6 Cl2 Cs N O3 Pd'
_chemical_formula_sum            'C3 H6 Cl2 Cs N O3 Pd'
_chemical_formula_weight         414.30
_chemical_name_systematic
Poly[[\m~3~-(<i>S</i>)-2-amino-3-hydroxypropanoato]-<i>cis</i>-di-\m-chlorido-caesiumpalladium(II)]
_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method
;
Olex2 1.2
(compiled 2017.07.20 svn.r3457 for OlexSys, GUI svn.r5370)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.594(4)
_cell_length_b                   17.072(5)
_cell_length_c                   4.4739(12)
_cell_measurement_reflns_used    360
_cell_measurement_temperature    150.01
_cell_measurement_theta_max      20.058
_cell_measurement_theta_min      2.369
_cell_volume                     885.5(5)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX2 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      150.01
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1251
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       3
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            5126
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.123
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.708
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.4994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    3.107
_exptl_crystal_description       plate
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.077
_exptl_crystal_size_mid          0.072
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.636
_refine_diff_density_min         -1.236
_refine_ls_abs_structure_details
;
Flack <i>x</i> determined using 375 quotients
[(<i>I</i>^+^)-(<i>I</i>^-^)]/[(<i>I</i>^+^)+(<i>I</i>^-^)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   -0.02(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.834
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         1546
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      0.847
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[\s^2^(Fo^2^)] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0655
_refine_ls_wR_factor_ref         0.0758
_reflns_number_gt                1212
_reflns_number_total             1546
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            im2483sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        885.6(5)
_cod_database_code               2311526
_shelx_hkl_checksum              84103
_shelx_res_checksum              87742