Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions
Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja; CrystEngComm 21 (2019) 6281–; doi:10.1039/C9CE01273G

data_7234205
_publ_section_title
;
 Vapour- and solvent-mediated crystalline transformations in Mo(vi)
 hydrazone complexes controlled by noncovalent interactions
;
_journal_issue                   41
_journal_name_full               CrystEngComm
_journal_page_first              6281
_journal_paper_doi               10.1039/C9CE01273G
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C14 H11 Mo N3 O5'
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_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
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2019-07-29 deposited with the CCDC.    2019-09-27 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_point_group_measured_fraction_max 0.995
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_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         4.190
_exptl_absorpt_coefficient_mu    0.965
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90699
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.120
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_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         3048
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0398
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0309P)^2^+0.3212P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0714
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2522
_reflns_number_total             3048
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shelx
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'Adding full bibliography for 7234205--7234213.cif.'
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_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              48584