Isotypie entre les structures cristallines des tétrakis(μ-acétato)bis(méthanol) dicuivre(II) et de dirhodium(II)
Noinville, V.; Viossat, B.; Dung, Nguyen-Huy; Acta Crystallographica Section C 49 (1993) 1297–1298; doi:10.1107/S0108270193000022

data_2001507
_publ_section_title
;
 Isotypie entre les structures cristallines des
 t\'etrakis(\m-ac\'etato)bis(m\'ethanol) dicuivre(II) et de
 dirhodium(II)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1297
_journal_page_last               1298
_journal_paper_doi               10.1107/S0108270193000022
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '2(C4 H6 O4 Rh1,C1 H4 O1)'
_chemical_formula_sum            'C10 H20 O10 Rh2'
_chemical_formula_weight         506.07
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 92.83(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   8.0880(10)
_cell_length_b                   7.456(2)
_cell_length_c                   13.371(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      2.8
_cell_volume                     805.3(3)
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3914
_diffrn_reflns_theta_max         29
_diffrn_standards_number
'3 r\'eflexions de r\'ef\'erence (10\=1, 00\=2, 0\=11)'
_exptl_absorpt_coefficient_mu    2.074
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Vert \'emeraude'
_exptl_crystal_density_diffrn    2.08
_exptl_crystal_density_meas      2.10
_exptl_crystal_density_method    'D~m~ mesur\'ee par pycnom\'etrie?'
_exptl_crystal_description       Parallelipip\'edique
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.208
_exptl_crystal_size_min          0.208
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.28
_refine_ls_goodness_of_fit_obs   1.5
_refine_ls_number_parameters     101
_refine_ls_number_reflns         1867
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.6
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.031
_reflns_number_observed          1867
_reflns_number_total             3914
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1013.cif
_cod_data_source_block           du1013_structure_1_of_1
_cod_depositor_comments
;
 Replacing symmetry operators '-x,y,x', '-1-x,-y,1-z' with symmetry operators
 deduced from the space group Hall symbol '-P 2yn'.

 Antanas Vaitkus,
 2017-02-07

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'ambiante' was changed to
'295(2)' - the room/ambient temperature average [293;298] in
Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'ambiante' was changed to
'295(2)' - the room/ambient temperature average [293;298] in
Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        805.5(3)
_cod_database_code               2001507