LMucko/crystallography-open-database huggingface dataset:
Crystal structure of bis(8-chloro-5-(4-methylpiperazinium-1-yl)pyrido- [2,3-b][1,5]benzoxazepine) fumarate - fumaric acid solvate (1:1), (C~17~H~18~ClN~4~O)~2~(C~4~H~2~O~4~) · C~4~H~4~O~4~
Dupont, Léon; Liégeois, Jean-François; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 147–149; doi:

data_8100070
_publ_section_title
;
Crystal structure of bis(8-chloro-5-(4-methylpiperazinium-1-yl)pyrido-
[2,3-b][1,5]benzoxazepine) fumarate - fumaric acid solvate (1:1), 
(C~17~H~18~ClN~4~O)~2~(C~4~H~2~O~4~) &#x00B7; C~4~H~4~O~4~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              147
_journal_page_last               149
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety
'C17 H18 Cl N4 O 1+, O.5(C4 H4 O4), 0.5(C4 H2 O4 2-)'
_chemical_formula_structural     'C17 H17 Cl N4 O, C4 H4 O4'
_chemical_formula_sum            'C21 H21 Cl N4 O5'
_chemical_formula_weight         444.87
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.117(15)
_cell_angle_beta                 73.237(10)
_cell_angle_gamma                87.380(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6247(11)
_cell_length_b                   9.929(3)
_cell_length_c                   11.860(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1019.9(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.449
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8100070
Crystal structure of 2-(6-[2-(5-ethyl-5-hydroxy-6-methyl-tetrahydro- pyran-2-yl)-15-oxo-2,10,12-trimethyl-1,6,8-trioxa-dispiro[4.1.5.3] pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl-5-methyl- tetrahydro-pyran-2-yl)-butyrate sodium, Na(C~42~H~67~O~11~), SY-9 – antibiotic 20-oxo-salinomycin
Paulus, E. F.; Vértesy, L.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 184–186; doi:

data_8100071
_publ_section_title
;
Crystal structure of 2-(6-[2-(5-ethyl-5-hydroxy-6-methyl-tetrahydro-
pyran-2-yl)-15-oxo-2,10,12-trimethyl-1,6,8-trioxa-dispiro[4.1.5.3]
pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl-5-methyl-
tetrahydro-pyran-2-yl)-butyrate sodium, Na(C~42~H~67~O~11~), SY-9 
-- antibiotic 20-oxo-salinomycin
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              184
_journal_page_last               186
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C42 H67 Na O11'
_chemical_formula_weight         770.95
_chemical_name_common            'SY-9, 20-oxo-salinomycin'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5617(5)
_cell_length_b                   19.1580(9)
_cell_length_c                   21.5366(9)
_cell_measurement_temperature    293(2)
_cell_volume                     4357.7(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.175
_cod_database_code               8100071
Crystal structure of tin(II) acetate acetylacetonate, Sn(C~5~H~7~O~2~) (C~2~H~3~O~2~)
Reuter, Hans; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 109–110; doi:

data_8100072
_publ_section_title
;
Crystal structure of tin(II) acetate acetylacetonate, Sn(C~5~H~7~O~2~)
(C~2~H~3~O~2~)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              109
_journal_page_last               110
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C7 H10 O4 Sn'
_chemical_formula_weight         276.84
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.55(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.459(3)
_cell_length_b                   9.676(2)
_cell_length_c                   16.237(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1930.3(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.905
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100072
Crystal structure of (3R,1S',2S')-3-[1-benzyloxy-2,3-isopropylidenedioxy- propyl]-2-methyltetrahydro-1,2-oxazole, C~17~H~25~NO~4~
Frey, Wolfgang; Henneböhle, Marco; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 191–192; doi:

data_8100073
_publ_section_title
;
Crystal structure of (3R,1S',2S')-3-[1-benzyloxy-2,3-isopropylidenedioxy-
propyl]-2-methyltetrahydro-1,2-oxazole, C~17~H~25~NO~4~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              191
_journal_page_last               192
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C17 H25 N O4'
_chemical_formula_weight         307.38
_chemical_melting_point          324
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.241(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.547(3)
_cell_length_b                   9.1757(19)
_cell_length_c                   11.166(2)
_cell_measurement_temperature    293(2)
_cell_volume                     855.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.193
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '324K' was changed to '324' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8100073
Crystal structure of (3S,4S)-4,5-O-cyclohexylidene-4,5-dihydroxy-3- methylamino-pentanoic acid hydrochloride, (C~12~H~22~NO~4~)Cl
Frey, Wolfgang; Henneböhle, Marco; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 193–194; doi:

data_8100074
_publ_section_title
;
Crystal structure of (3S,4S)-4,5-O-cyclohexylidene-4,5-dihydroxy-3-
methylamino-pentanoic acid hydrochloride, (C~12~H~22~NO~4~)Cl
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              193
_journal_page_last               194
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C12 H22 Cl N O4'
_chemical_formula_weight         279.76
_chemical_temperature_decomposition 452.5(15)
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.709(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.2327(3)
_cell_length_b                   7.9360(3)
_cell_length_c                   14.1536(5)
_cell_measurement_temperature    293(2)
_cell_volume                     690.05(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.346
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been given
as '451 - 454K, dec.'. The value was changed to '452.5(15)' - the
average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8100074
Crystal structure of chlorodimethyl(2-aminoethanethiolato)tin(IV), (NH~2~CH~2~CH~2~S)SnCl(CH~3~)~2~
Couce, Maria D.; Faraglia, Giuseppina; Russo, Umberto; Graziani, Rodolfo; Valle, Giovanni; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 195–196; doi:

data_8100075
_publ_section_title
;
Crystal structure of chlorodimethyl(2-aminoethanethiolato)tin(IV), 
(NH~2~CH~2~CH~2~S)SnCl(CH~3~)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              195
_journal_page_last               196
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C4 H12 Cl N S Sn'
_chemical_formula_weight         260.34
_chemical_name_common            chlorodimethyl(2-aminoethanethiolato)tin(IV)
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.422(2)
_cell_length_b                   11.475(2)
_cell_length_c                   13.582(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1780.2(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.942
_cod_original_formula_sum        'C4 H12 Cl1 N1 S1 Sn1'
_cod_database_code               8100075
Crystal structure of (η^4^-norborna-2,5-dien)-(1,2-bis((R,R)- 2,5-bis(methoxymethyl)phospholanyl)benzene)rhodium(I) tetrafluoroborate, [Rh(C~22~H~36~O~4~P~2~)(C~7~H~8~)](BF~4~)
Holz, Jens; Börner, Armin; Spannenberg, Anke; Pribbenow, Cornelia; Heller, Detlef; Drexler, Hans-Joachim; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 199–200; doi:

data_8100076
_publ_section_title
;
Crystal structure of (\h^4^-norborna-2,5-dien)-(1,2-bis((R,R)-
2,5-bis(methoxymethyl)phospholanyl)benzene)rhodium(I) tetrafluoroborate, 
[Rh(C~22~H~36~O~4~P~2~)(C~7~H~8~)](BF~4~)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              199
_journal_page_last               200
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C29 H44 B F4 O4 P2 Rh'
_chemical_formula_weight         708.30
_chemical_name_common            'BASPHOS (NBD)'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.87(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.119(2)
_cell_length_b                   14.125(3)
_cell_length_c                   11.542(2)
_cell_measurement_temperature    200(2)
_cell_volume                     1578.7(5)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.490
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C29 H44 B1 F4 O4 P2 Rh1'
_cod_database_code               8100076
Crystal structure of tetraaqua-bis(pyridine-2,6-dicarboxylato-O,N, O')-(μ~2~-pyrazino)dinickel(II), [Ni~2~(C~4~H~4~N~2~)(C~7~H~3~NO~4~) ~2~(H~2~O)~4~]
Altin, Ergün; Kirchmaier, Ralph; Lentz, Axel; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 139–140; doi:

data_8100077
_publ_section_title
;
Crystal structure of tetraaqua-bis(pyridine-2,6-dicarboxylato-O,N,
O')-(\m~2~-pyrazino)dinickel(II), [Ni~2~(C~4~H~4~N~2~)(C~7~H~3~NO~4~)
~2~(H~2~O)~4~]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              139
_journal_page_last               140
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety
'2(Ni +2), 2(C7 H3 N O4 -2), (C4 H4 N2), 4(H2 O)'
_chemical_formula_structural     '[Ni2 (C4H4N2) (C7H3NO4)2 (H2O)4]'
_chemical_formula_sum            'C18 H18 N4 Ni2 O12'
_chemical_formula_weight         599.78
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.02(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.5584(16)
_cell_length_b                   20.004(3)
_cell_length_c                   7.1346(16)
_cell_measurement_temperature    293(2)
_cell_volume                     1078.1(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.848
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100077
Crystal structure of methyl-2-hydroxy-2-phenyl-3-(4-bromophenyl)-3- phenylamino-propanoate, C~22~H~20~BrNO~3~
Malpezzi, Luciana; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 197–198; doi:

data_8100078
_publ_section_title
;
Crystal structure of methyl-2-hydroxy-2-phenyl-3-(4-bromophenyl)-3-
phenylamino-propanoate, C~22~H~20~BrNO~3~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              197
_journal_page_last               198
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C22 H20 Br N O3'
_chemical_formula_weight         426.30
_chemical_melting_point          144
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.130(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6430(10)
_cell_length_b                   5.9350(10)
_cell_length_c                   18.7820(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1966.7(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.440
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100078
Crystal structure of (η^4^-cycloocta-1,5-dien)(1,2-bis(diethylphosphino) ethane)rhodium(I) tetrafluoroborate, [Rh(C~8~H~12~)(C~10~H~24~P~2~)] (BF~4~)
Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Drexler, Hans-Joachim; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 201–202; doi:

data_8100079
_publ_section_title
;
Crystal structure of (\h^4^-cycloocta-1,5-dien)(1,2-bis(diethylphosphino)
ethane)rhodium(I) tetrafluoroborate, [Rh(C~8~H~12~)(C~10~H~24~P~2~)]
(BF~4~)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              201
_journal_page_last               202
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C18 H36 B F4 P2 Rh'
_chemical_formula_weight         504.13
_chemical_name_common            'DEPE (COD)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.91(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.522(3)
_cell_length_b                   9.173(2)
_cell_length_c                   15.862(3)
_cell_measurement_temperature    200(2)
_cell_volume                     2192.3(8)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.527
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 H36 B1 F4 P2 Rh1'
_cod_database_code               8100079
Crystal structure of dithallium(I) octa-μ~3~-bromohexabromo- octahedro-hexamolybdate, Tl~2~[(Mo~6~Br~8~)Br~6~]
Xu, Wei; Zheng, Yue-Qing; Wang, Ping; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 97–98; doi:

data_8100080
_publ_section_title
;
Crystal structure of dithallium(I) octa-\m~3~-bromohexabromo-
octahedro-hexamolybdate, Tl~2~[(Mo~6~Br~8~)Br~6~]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              97
_journal_page_last               98
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'Br14 Mo6 Tl2'
_chemical_formula_weight         2103.12
_space_group_IT_number           201
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8128(12)
_cell_length_b                   13.8128(12)
_cell_length_c                   13.8128(12)
_cell_measurement_temperature    568(2)
_cell_volume                     2635.4(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.301
_cod_original_sg_symbol_H-M      'P n -3'
_cod_database_code               8100080
Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate (IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] · 4CH~3~CN, [P(C~6~H~5~)~4~]~2~ [MCl~6~] · 4CH~3~CN (M = Sn, Mo)
Rabe, Susanne; Bubenheim, Winfried; Müller, Ulrich; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 101–105; doi:

data_8100081
_publ_section_title
;
Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) 
tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate
(IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] &#x00B7; 4CH~3~CN, [P(C~6~H~5~)~4~]~2~
[MCl~6~] &#x00B7; 4CH~3~CN (M = Sn, Mo)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              101
_journal_page_last               105
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety
'(P(C~6~H~5~)~4~)~2~[VOCl~4~]\cdot 4 CH~3~CN mP240'
_chemical_formula_sum            'C56 H52 Cl4 N4 O P2 V'
_chemical_formula_weight         1051.75
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.00(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.473(2)
_cell_length_b                   19.832(6)
_cell_length_c                   14.461(2)
_cell_measurement_temperature    193(2)
_cell_volume                     2683.3(9)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.303
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C56 H52 Cl4 N4 O1 P2 V1'
_cod_database_code               8100081
Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate (IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] · 4CH~3~CN, [P(C~6~H~5~)~4~]~2~ [MCl~6~] · 4CH~3~CN (M = Sn, Mo)
Rabe, Susanne; Bubenheim, Winfried; Müller, Ulrich; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 101–105; doi:

data_8100082
_publ_section_title
;
Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) 
tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate
(IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] &#x00B7; 4CH~3~CN, [P(C~6~H~5~)~4~]~2~
[MCl~6~] &#x00B7; 4CH~3~CN (M = Sn, Mo)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              101
_journal_page_last               105
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         '(P(C~6~H~5~)~4~)~2~[SnCl~6~]\cdot 4 CH~3~CN'
_chemical_formula_sum            'C56 H52 Cl6 N4 P2 Sn'
_chemical_formula_weight         1175.45
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.91(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.606(7)
_cell_length_b                   19.842(9)
_cell_length_c                   15.129(9)
_cell_measurement_temperature    300(2)
_cell_volume                     2849(4)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    1.369
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C56 H52 Cl6 N4 P2 Sn1'
_cod_database_code               8100082
Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate (IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] · 4CH~3~CN, [P(C~6~H~5~)~4~]~2~ [MCl~6~] · 4CH~3~CN (M = Sn, Mo)
Rabe, Susanne; Bubenheim, Winfried; Müller, Ulrich; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 101–105; doi:

data_8100083
_publ_section_title
;
Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) 
tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate
(IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] &#x00B7; 4CH~3~CN, [P(C~6~H~5~)~4~]~2~
[MCl~6~] &#x00B7; 4CH~3~CN (M = Sn, Mo)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              101
_journal_page_last               105
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         '(P(C~6~H~5~)~4~)~2~[MoCl~6~]\cdot 4 CH~3~CN'
_chemical_formula_sum            'C56 H52 Cl6 Mo N4 P2'
_chemical_formula_weight         1151.68
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.72(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.505(3)
_cell_length_b                   19.624(2)
_cell_length_c                   14.759(2)
_cell_measurement_temperature    193(2)
_cell_volume                     2721.1(10)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.406
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C56 H52 Cl6 N4 P2 Mo1'
_cod_database_code               8100083