Discrete {Gd(III)4M} (M = Gd(III) or Co(II)) pentanuclear complexes: a new class of metal-organophosphate molecular coolers.
Gupta, Sandeep K.; Dar, Aijaz A.; Rajeshkumar, Thayalan; Kuppuswamy, Subramaniam; Langley, Stuart K.; Murray, Keith S.; Rajaraman, Gopalan; Murugavel, Ramaswamy; Dalton transactions (Cambridge, England : 2003) 44 (2015) 5961–5965; doi:10.1039/c4dt03655g

data_7034716
_publ_section_title
;
 Discrete {Gd(III)4M} (M = Gd(III) or Co(II)) pentanuclear complexes: a
 new class of metal-organophosphate molecular coolers.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5961
_journal_page_last               5965
_journal_paper_doi               10.1039/c4dt03655g
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C84 H157 Gd5 N2 O47 P6'
_chemical_formula_weight         2919.18
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2012
_audit_update_record
;
2015-02-18 deposited with the CCDC.
2015-02-18 downloaded from the CCDC.
;
_cell_angle_alpha                99.378(3)
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_cell_angle_gamma                105.488(3)
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_computing_cell_refinement
;
CrystalClear-SM Expert 2.0 r3 (Rigaku, 2009)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.0 r3 (Rigaku, 2009)
;
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CrystalClear-SM Expert 2.0 r3 (Rigaku, 2009)
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_refine_ls_number_restraints     31
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0396P)^2^+48.4250P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1302
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_reflns_number_gt                19909
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           SKG423
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/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 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               7034716
_shelx_estimated_absorpt_t_min   0.714
_shelx_estimated_absorpt_t_max   0.942
_shelxl_version_number           2012-9
_shelx_res_checksum              50843