Structure of strontium citrate pentahydrate
Zacharias, D. E.; Glusker, J. P.; Acta Crystallographica Section C 49 (1993) 1732–1735; doi:10.1107/S0108270193000964

data_2001283
_publ_section_title
;
 Structure of strontium citrate pentahydrate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1732
_journal_page_last               1735
_journal_paper_doi               10.1107/S0108270193000964
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '2(C6 H5 O7 3-),3(Sr 2+),5(H2 O1)'
_chemical_formula_sum            'C12 H20 O19 Sr3'
_chemical_formula_weight         731.14
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                104.77(2)
_cell_angle_beta                 100.12(2)
_cell_angle_gamma                111.19(2)
_cell_formula_units_Z            2
_cell_length_a                   10.720(2)
_cell_length_b                   12.467(2)
_cell_length_c                   9.124(2)
_cell_measurement_reflns_used    14
_cell_measurement_temperature    293
_cell_measurement_theta_max      45
_cell_measurement_theta_min      40
_cell_volume                     1049.7(4)
_diffrn_measurement_device       'Siemens-Nicolet P3m'
_diffrn_measurement_method
'Variable \q-2\q scans of rate 2.02-58.6\% min^-1^'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4147
_diffrn_reflns_theta_max         69.5
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 92
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    10.842
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.795
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.31
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.70
_refine_diff_density_min         -1.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.25
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     379
_refine_ls_number_reflns         3924
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         '0.6 for Sr,O,C; = 0.9 for H'
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;[\s^2^(F)]^-1^; \s(F) = (F/2)[\s^2^(I)/(I)^2^ + \d^2^]^1/2^,
\d = 0.021 (instrumental uncertainty)
;
_refine_ls_wR_factor_obs         0.042
_reflns_number_observed          3924
_reflns_number_total             3951
_reflns_observed_criterion       I>=3.0\s(I)
_cod_data_source_file            cr1034.cif
_cod_data_source_block           cr1034_structure_1_of_1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-11-23

 Commenting out incorrect symmery operators:

_cod_original_cell_volume        1049.4(4)
_cod_database_code               2001283