Unexpected proline coordination in the copper chain polymer [Cu(μ-Cl)~2~(μ-<small>DL</small>-proline-κ^2^<i>O</i>:<i>O</i>')]^1^~{\ιnfty ~}
Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli; Acta Crystallographica Section C 71 (2015) –; doi:10.1107/S205322961500426X

data_2019889
_publ_section_title
;
 Unexpected proline coordination in the copper chain polymer
 [Cu(\m-Cl)~2~(\m-<small>DL</small>-proline-\k^2^<i>O</i>:<i>O</i>')]^1^~{\\infty
 ~}
;
_journal_coeditor_code           YF3081
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S205322961500426X
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Cu Cl2 (C5 H9 N1 O2)]'
_chemical_formula_sum            'C5 H9 Cl2 Cu N O2'
_chemical_formula_weight         249.57
_chemical_name_systematic
<i>catena</i>-Poly[copper(II)-di-\m-chlorido-\m-proline-\k^2^<i>O</i>:<i>O</i>']
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL2013
_cell_angle_alpha                76.136(4)
_cell_angle_beta                 89.521(4)
_cell_angle_gamma                81.162(4)
_cell_formula_units_Z            4
_cell_length_a                   6.6312(14)
_cell_length_b                   9.717(2)
_cell_length_c                   12.837(3)
_cell_measurement_temperature    100(2)
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_computing_cell_refinement
;
SAINT-Plus (Bruker, 2009)
;
_computing_data_collection
;
SMART (Bruker, 2001)
;
_computing_data_reduction
;
SAINT-Plus (Bruker, 2009), TWINABS (Sheldrick, 2008a), CELLNOW
(Sheldrick, 2009)
;
_computing_molecular_graphics
;
PLATON (Spek, 2009)
;
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;
SHELXL97 (Sheldrick, 2008b)
;
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;
SHELXL2013 (Sheldrick, 2015)
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;
SHELXS97 (Sheldrick, 2008b)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'Bruker D8 goniometer with APEX CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0746
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15560
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.560
_diffrn_reflns_theta_min         2.186
_exptl_absorpt_coefficient_mu    3.370
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5434
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(TWINABS; Sheldrick, 2008a)
;
_exptl_crystal_colour            green
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_exptl_crystal_description       block
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
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_refine_diff_density_min         -0.454
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_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0300P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0845
_refine_ls_wR_factor_ref         0.0905
_reflns_number_gt                4741
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            yf3081sup1.cf
_cod_data_source_block           I
_cod_original_formula_sum        'C5 H9 Cl2 Cu1 N1 O2'
_cod_database_code               2019889
_cod_database_fobs_code          2019889
_shelx_estimated_absorpt_t_min   0.650
_shelx_estimated_absorpt_t_max   0.823
_shelx_hkl_checksum              54562
_shelx_res_checksum              43339
_shelxl_version_number           20.13