[Bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''][glycylglycinato(2–)-<i>N</i>,<i>N</i>',<i>O</i>]chromium(III) Perchlorate Monohydrate, [Cr(C~4~H~6~N~2~O~3~)(C~6~H~17~N~3~)]ClO~4~.H~2~O
Choi, J.-H.; Suh, I.-H.; Kwak, S.-H.; Acta Crystallographica Section C 51 (1995) 1745–1748; doi:10.1107/S0108270195002800

data_2003902
_publ_section_title
;[Bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''][glycylglycinato(2--)-<i>N</i>,<i>N</i>',<i>O</i>]chromium(III)
 Perchlorate Monohydrate, [Cr(C~4~H~6~N~2~O~3~)(C~6~H~17~N~3~)]ClO~4~.H~2~O
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1745
_journal_page_last               1748
_journal_paper_doi               10.1107/S0108270195002800
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C10 H25 Cl Cr N5 O8'
_chemical_formula_weight         430.79
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.783(1)
_cell_length_b                   16.365(4)
_cell_length_c                   8.981(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      14.13
_cell_measurement_theta_min      10.09
_cell_volume                     1731.8(5)
_computing_cell_refinement
;
Enraf-Nonius (1985). Structure Determination Package, Enraf-Nonius,
Delft, The Netherlands.
;
_computing_data_collection
;
Enraf-Nonius (1985). Structure Determination Package, Enraf-Nonius,
Delft, The Netherlands.
;
_computing_data_reduction
;
Enraf-Nonius (1985). Structure Determination Package, Enraf-Nonius,
Delft, The Netherlands.
;
_computing_molecular_graphics
;
Ortep (1971). Report ORNL-3794, revised. Oak Ridge National Laboratory,
Tennessee, USA.
;
_computing_publication_material
;
GEOM (1978). Seoul National Univ., Korea.
;
_computing_structure_refinement
;
SHELX76 (1976). Program for Crystal Structure Determination. Univ
of Cambridge, England.
;
_computing_structure_solution
;
Multan87 (1987). Computer Programs for the Automatic Solution of Crystal
Structures from X-Ray Diffraction Data.
;
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1617
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        4.3
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.805
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light red'
_exptl_crystal_density_diffrn    1.65
_exptl_crystal_description       block
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.4815
_refine_ls_number_parameters     251
_refine_ls_number_reflns         1417
_refine_ls_R_factor_obs          0.0416
_refine_ls_shift/esd_max         0.00
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0416
_reflns_number_observed          1417
_reflns_number_total             1587
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            jz1012.cif
_cod_data_source_block           jz1012a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_original_cell_volume        1731.8(8)
_cod_original_formula_sum        'C10 H25 Cl1 Cr1 N5 O8'
_cod_database_code               2003902