Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).
Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 17758–17771; doi:10.1039/d0dt03391j

data_7705801
_publ_section_title
;
 Topotactic desolvation and condensation reactions of 3D
 Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>&#x00B7;S
 (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17758
_journal_page_last               17771
_journal_paper_doi               10.1039/d0dt03391j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C6 H6 F7 N9 Ti Zn3'
_chemical_formula_sum            'C6 H6 F7 N9 Ti Zn3'
_chemical_formula_weight         581.24
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_update_record
;
2020-09-21 deposited with the CCDC.	2020-11-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   17.5556(14)
_cell_length_b                   10.0910(7)
_cell_length_c                   9.9786(7)
_cell_measurement_temperature    405
_cell_volume                     1767.7(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      405
_diffrn_measurement_device_type  'Panalytical XPERT-PRO'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54175
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_colour            white
_exptl_crystal_description       microcristalline
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.030015
_pd_meas_2theta_range_max        60.00000
_pd_meas_2theta_range_min        5.19000
_pd_meas_number_of_points        1828
_pd_proc_2theta_range_inc        0.030015
_pd_proc_2theta_range_max        59.9856
_pd_proc_2theta_range_min        5.1756
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        8.2825
_pd_proc_ls_prof_wR_expected     6.6018
_pd_proc_ls_prof_wR_factor       10.4593
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.5958
_refine_ls_number_parameters     55
_refine_ls_number_reflns         661
_refine_ls_number_restraints     16
_refine_ls_R_I_factor            7.9544
_cod_data_source_file            d0dt03391j2.cif
_cod_data_source_block           Zn3TiF7(taz)3_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7705796--7705801.cif.
;
_cod_database_code               7705801
_pd_proc_ls_prof_cr_factor       13.0185
_pd_proc_ls_prof_cwr_factor      15.0193
_pd_proc_ls_prof_cwr_expected    9.4801
_pd_proc_ls_prof_chi2            2.5100
_pd_proc_ls_prof_echi2           2.5464