Control of the Charge Distribution and Modulation of the Class II-III Transition in Weakly Coupled Mo2-Mo2 Systems
Xuan Xiao; Chun Y. Liu; Qiao He; Mei Juan Han; Miao Meng; Hao Lei; Xin Lu; Inorganic Chemistry 52 (2013) 12624–12633; doi:10.1021/ic4017855

data_4336588
_publ_section_title
;
 Control of the Charge Distribution and Modulation of the Class II-III
 Transition in Weakly Coupled Mo2-Mo2 Systems
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12624
_journal_page_last               12633
_journal_paper_doi               10.1021/ic4017855
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         '[Mo2(C15H15N2O2)3]2(SOCC6H4COS) 4.5CH2Cl2'
_chemical_formula_sum            'C102.5 H102 Cl9 Mo4 N12 O14 S2'
_chemical_formula_weight         2494.03
_chemical_name_common            '[Mo2(DAniF)3]2(SOCCH4COS) 4.5CH2Cl2'
_chemical_name_systematic
; 
 ? 
;
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_diffrn_ambient_temperature      150(2)
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_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
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_diffrn_reflns_theta_full        66.93
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_diffrn_reflns_theta_min         3.27
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_exptl_absorpt_coefficient_mu    6.570
_exptl_absorpt_correction_T_max  0.7790
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_exptl_absorpt_correction_type   multi-scan
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
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_refine_ls_number_reflns         9614
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_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0681
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1020P)^2^+8.1307P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1763
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4017855_si_001_1.cif
_cod_data_source_block           OSOS
_cod_original_cell_volume        2741.3(2)
_cod_database_code               4336588