(μ<sub>2</sub>-Adipato-κ<sup>4</sup><i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis-[aqua-(benzene-1,2-di-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis.
Rahman, Wannur Sofiasalamah Khairiah A.; Ahmad, J.; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1363–1367; doi:10.1107/S2056989017011677

data_2311404
_publ_section_title
;
 (\m<sub>2</sub>-Adipato-\k<sup>4</sup><i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis-[aqua-(benzene-1,2-di-amine-\k<sup>2</sup><i>N</i>,<i>N</i>')-chlorido-cadmium]:
 crystal structure and Hirshfeld surface analysis.
;
_journal_coeditor_code           HB7697
_journal_issue                   'Pt 9'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1363
_journal_page_last               1367
_journal_paper_doi               10.1107/S2056989017011677
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cd2 Cl2 (C6 H8 O4) (C6 H8 N2)2 (H2 O)2]'
_chemical_formula_moiety         'C18 H28 Cd2 Cl2 N4 O6'
_chemical_formula_sum            'C18 H28 Cd2 Cl2 N4 O6'
_chemical_formula_weight         692.14
_chemical_name_systematic
(\m~2~-Adipato-\k^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis[aqua(benzene-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')chloridocadmium]
_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'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 98.122(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.4710(8)
_cell_length_b                   5.5578(2)
_cell_length_c                   10.7910(3)
_cell_measurement_reflns_used    7493
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      3.77
_cell_volume                     1215.42(7)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2013)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg,
2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type
'Agilent Technologies SuperNova Dual diffractometer with Atlas detector'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15862
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.315
_diffrn_reflns_theta_min         3.015
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.010
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2013)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_description       prism
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.154
_refine_diff_density_min         -0.692
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     163
_refine_ls_number_reflns         3393
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0281
_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^)+(0.0312P)^2^+0.8274P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0648
_reflns_number_gt                2992
_reflns_number_total             3393
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7697sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2311404
_shelx_estimated_absorpt_t_min   0.557
_shelx_estimated_absorpt_t_max   0.824
_shelx_hkl_checksum              44318
_shelx_res_checksum              45786