Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.
Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 5898–5908; doi:10.1039/c4dt03810j

data_7033910
_publ_section_title
;
 Copper(i) diselenocarbamate clusters: synthesis, structures and
 single-source precursors for Cu and Se composite materials.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5898
_journal_page_last               5908
_journal_paper_doi               10.1039/c4dt03810j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C30 H58 Cl6 Cu4 N4 Se8'
_chemical_formula_weight         1573.34
_chemical_properties_physical    'Air-sensitive, Heat-sensitive'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P c a n'
_symmetry_space_group_name_Hall  '-P 2n 2c'
_symmetry_space_group_name_H-M   'P c a n'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/cc13tk5n
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_audit_update_record
;
2015-01-21 deposited with the CCDC.
2015-02-05 downloaded from the CCDC.
;
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.26
_cell_measurement_theta_min      2.23
_cell_volume                     5443.0(4)
_computing_cell_refinement       'Bruker SAINT (Bruker APEX2 v2014.11-0)'
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_computing_data_reduction        'Bruker SAINT (Bruker APEX2 v2014.11-0)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         24.999
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_exptl_absorpt_coefficient_mu    7.211
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.2851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.920
_exptl_crystal_description       plate
_exptl_crystal_F_000             3024
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1028
_refine_ls_R_factor_gt           0.0621
_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^)+(0.1089P)^2^+6.5742P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1661
_refine_ls_wR_factor_ref         0.1912
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3187
_reflns_number_total             4765
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4dt03810j2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_space_group_crystal_system' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7033910--7033914.cif.
;
_cod_database_code               7033910
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.126
_shelx_estimated_absorpt_t_max   0.504
_shelx_res_checksum              25701