LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 4-azaoctane-1,8-diammonium hexachloroplatinate (IV) hydrogenchloride solvate, [C~7~H~21~N~3~]PtCl~6~ · HCl
Delafontaine, Jean-Marc; Julien, René; Mazurier, Alain; Tomas, Alain; Legendre, Bernard; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 699–700; doi:

data_8101642
_publ_section_title
;
Crystal structure of 4-azaoctane-1,8-diammonium hexachloroplatinate
(IV) hydrogenchloride solvate, [C~7~H~21~N~3~]PtCl~6~ &#x00B7; HCl
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              699
_journal_page_last               700
_journal_volume                  213
_journal_year                    1998
_chemical_formula_moiety         'C7 H22 Pt Cl17 N3'
_chemical_formula_sum            'C7 H22 Cl17 N3 Pt'
_chemical_formula_weight         591.53
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   7.998(6)
_cell_length_b                   12.332(9)
_cell_length_c                   18.619(3)
_cell_measurement_temperature    294
_cell_volume                     1836.4(2)
_exptl_crystal_density_diffrn    '2.14 g.cm^-3^'
_exptl_crystal_density_meas      2.16(2)
_refine_ls_R_factor_obs          0.059
_refine_ls_wR_factor_obs         0.045
_cod_depositor_comments
;
The following automatic conversions were performed:

Tag '_exptl_crystal_density_meas' value '2.16(2) g.cm^-3^' was
modified to '2.16(2)'. Units 'g.cm^-3^' were correct but unnecessary,
so they were removed.

Automatic conversion script
Id: cif_fix_values 3130 2015-03-20 13:55:49Z robertas 
;
_cod_original_formula_sum        'C7 H22 Pt Cl17 N3'
_cod_database_code               8101642
Crystal structure of dicopper(I) octa<i>-μ</i>~3~-chlorohexachloro- <i>octahedro</i>-hexatungstate(2-), Cu~2~[(W~6~Cl)Cl]
Zheng, Yue-Qing; Nuss, Jürgen; von Schnering, Hans Georg; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 680–680; doi:

data_8101643
_publ_section_title
;
Crystal structure of dicopper(I) octa<i>-\m</i>~3~-chlorohexachloro-
<i>octahedro</i>-hexatungstate(2-), Cu~2~[(W~6~Cl)Cl]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              680
_journal_page_last               680
_journal_volume                  213
_journal_year                    1998
_chemical_formula_structural     'Cu2 [(W6 Cl8)Cl6]'
_chemical_formula_sum            'Cl14 Cu2 W6'
_chemical_formula_weight         1726.48
_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                   12.8052(5)
_cell_length_b                   12.8052(5)
_cell_length_c                   12.8052(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2099.71(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.461
_refine_ls_R_factor_obs          0.0778
_refine_ls_wR_factor_obs         0.1147
_cod_original_sg_symbol_H-M      'P n -3'
_cod_database_code               8101643
Crystal structure of dithallium(I) octa<i>-μ</i>~3~-bromohexabromo- <i>octahedro</i>-hexatungstate(2-), Tl~2~[(W~6~Br)Br]
Zheng, Yue-Qing; Peters, Karl; von Schnering, Hans Georg; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 681–682; doi:

data_8101644
_publ_section_title
;
Crystal structure of dithallium(I) octa<i>-\m</i>~3~-bromohexabromo-
<i>octahedro</i>-hexatungstate(2-), Tl~2~[(W~6~Br)Br]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              681
_journal_page_last               682
_journal_volume                  213
_journal_year                    1998
_chemical_formula_structural     'Tl2 [W6 Br8] Br6]'
_chemical_formula_sum            'Br14 Tl2 W6'
_chemical_formula_weight         2630.58
_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                   13.873(2)
_cell_length_b                   13.873(2)
_cell_length_c                   13.873(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2670.0(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.544
_refine_ls_R_factor_obs          0.0478
_refine_ls_wR_factor_obs         0.1042
_cod_original_sg_symbol_H-M      'P n -3'
_cod_database_code               8101644
Crystal structure of 6-hydroxyflavone, C~15~H~10~O~3~
Shoja, Massud; Yen, Mei-Wen; Peterson, Luke; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 729–730; doi:

data_8101645
_publ_section_title
;
Crystal structure of 6-hydroxyflavone, C~15~H~10~O~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              729
_journal_page_last               730
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'C15 H10 O3'
_chemical_formula_weight         238.24
_chemical_melting_point          512.0(10)
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 93.52(8)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.234(4)
_cell_length_b                   21.121(4)
_cell_length_c                   10.243(4)
_cell_measurement_temperature    293
_cell_volume                     1130.2(10)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.4
_refine_ls_R_factor_obs          .044
_refine_ls_wR_factor_obs         .050
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '511-513 K' was changed to
'512.0(10)' - 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_Hall     c_-2yc
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               8101645
Crystal structure of 5-(iodomethyl)-3-(5-iodo-7-oxabicyclo[4.3.0]non- 8-ylidene)oxolan-2-one, C~13~H~16~I~2~O~3~
Zukerman-Schpector, J.; Stefani, A. Helio; Valduga, Claudéte I.; Brandt, Carlos A.; Caracelli, I.; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 733–734; doi:

data_8101646
_publ_section_title
;
Crystal structure of 5-(iodomethyl)-3-(5-iodo-7-oxabicyclo[4.3.0]non-
8-ylidene)oxolan-2-one, C~13~H~16~I~2~O~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              733
_journal_page_last               734
_journal_volume                  213
_journal_year                    1998
_chemical_formula_moiety         'C13 H16 I2 O3'
_chemical_formula_sum            'C13 H16 I2 O3'
_chemical_formula_weight         474.06
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.66(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.246(1)
_cell_length_b                   12.879(1)
_cell_length_c                   13.404(3)
_cell_volume                     1529.1(4)
_diffrn_ambient_temperature      191(1)
_exptl_crystal_density_diffrn    2.059
_refine_ls_R_factor_obs          0.0565
_refine_ls_wR_factor_obs         0.1274
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               8101646
Crystal structure of (2<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2- (4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium tetrafluoroborate, <i>α</i>-C~45~H~44~PBF~4~O~4~ and of (2<i> R</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2-(4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium tetrafluoroborate,<i>β </i>-C~45~H~44~PBF~4~O~4~
Frey, Wolfgang; Lieberknecht, Albrecht; Griesser, Helmut; Bravo, Rudolfo D.; Colinas, Pedro A.; Grigera, Raul J.; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 737–740; doi:

data_8101647
_publ_section_title
;
Crystal structure of (2<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2-
(4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium 
tetrafluoroborate, <i>&#x3B1;</i>-C~45~H~44~PBF~4~O~4~ and of (2<i>
R</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2-(4,5-dibenzyloxy-6-benzyloxymethyl 
tetrahydropyranyl)triphenylphosphonium tetrafluoroborate,<i>&#x3B2;
</i>-C~45~H~44~PBF~4~O~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              737
_journal_page_last               740
_journal_volume                  213
_journal_year                    1998
_chemical_formula_structural     'C45 H44 P B F4 O4'
_chemical_formula_sum            'C45 H44 B F4 O4 P'
_chemical_formula_weight         766.58
_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                   10.175(2)
_cell_length_b                   10.106(2)
_cell_length_c                   38.820(6)
_cell_measurement_temperature    293(2)
_cell_volume                     3991.8(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.276
_refine_ls_R_factor_obs          0.0590
_refine_ls_wR_factor_obs         0.1415
_cod_database_code               8101647
Crystal structure of (2<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2- (4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium tetrafluoroborate, <i>α</i>-C~45~H~44~PBF~4~O~4~ and of (2<i> R</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2-(4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium tetrafluoroborate,<i>β </i>-C~45~H~44~PBF~4~O~4~
Frey, Wolfgang; Lieberknecht, Albrecht; Griesser, Helmut; Bravo, Rudolfo D.; Colinas, Pedro A.; Grigera, Raul J.; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 737–740; doi:

data_8101648
_publ_section_title
;
Crystal structure of (2<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2-
(4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium 
tetrafluoroborate, <i>\a</i>-C~45~H~44~PBF~4~O~4~ and of (2<i>
R</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2-(4,5-dibenzyloxy-6-benzyloxymethyl 
tetrahydropyranyl)triphenylphosphonium tetrafluoroborate,<i>\b
</i>-C~45~H~44~PBF~4~O~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              737
_journal_page_last               740
_journal_volume                  213
_journal_year                    1998
_chemical_formula_structural     'C45 H44 P B F4 O4'
_chemical_formula_sum            'C45 H44 B F4 O4 P'
_chemical_formula_weight         766.58
_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                   11.527(2)
_cell_length_b                   13.883(3)
_cell_length_c                   25.008(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4002.0(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.272
_refine_ls_R_factor_obs          0.0546
_refine_ls_wR_factor_obs         0.1236
_cod_database_code               8101648
Crystal structure of 2-benzyl-3-phenyl-5-phenylimino-Δ^3^-1, 2,4-thia-diazoline, C~21~H~17~N~3~S
Barbier, B.; Euler, H.; Kirfel, A.; Schüren, S.; Wamhoff, H.; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 741–742; doi:

data_8101649
_publ_section_title
;
Crystal structure of 2-benzyl-3-phenyl-5-phenylimino-\D^3^-1,
2,4-thia-diazoline, C~21~H~17~N~3~S
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              741
_journal_page_last               742
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'C21 H17 N3 S'
_chemical_formula_weight         343.44
_chemical_melting_point          428.15
_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(2)
_cell_angle_beta                 98.02(2)
_cell_angle_gamma                89.99(3)
_cell_formula_units_Z            4
_cell_length_a                   10.148(2)
_cell_length_b                   18.038(6)
_cell_length_c                   9.735(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1764.6(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.293
_refine_ls_R_factor_obs          0.0382
_refine_ls_wR_factor_obs         0.0529
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '155\/oC' was changed to '428.15' -
it was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101649
Crystal structure of <i>N</i>-methyl-<i>N</i>-phenyl-(2-methyl-3- phenylcyclopropenylidene) ammonium perchlorate, C~17~H~16~N^+^ClO~4~^-^ and of 3-cyano-1,2,3-triphenylcycloprop-1-ene-benzene (1/2), C~22~H~15~N · 2C~6~H~6~
Irngartinger, Hermann; Altreuther, Annegret; Krebs, A.; Toda, Fumio; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 797–799; doi:

data_8101650
_publ_section_title
;
Crystal structure of <i>N</i>-methyl-<i>N</i>-phenyl-(2-methyl-3-
phenylcyclopropenylidene) ammonium perchlorate, C~17~H~16~N^+^ClO~4~^-^ and 
of 3-cyano-1,2,3-triphenylcycloprop-1-ene-benzene (1/2), 
C~22~H~15~N &#x00B7; 2C~6~H~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              797
_journal_page_last               799
_journal_volume                  213
_journal_year                    1998
_chemical_formula_structural     'C~22~H~15~N x 2 C~6~H~6~'
_chemical_formula_sum            'C34 H27 N'
_chemical_formula_weight         449.6
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 107.83(1)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.666(1)
_cell_length_b                   28.842(4)
_cell_length_c                   9.967(1)
_cell_measurement_temperature    218
_cell_volume                     2645(1)
_diffrn_ambient_temperature      218
_exptl_crystal_density_diffrn    1.13
_refine_ls_R_factor_obs          0.049
_refine_ls_wR_factor_obs         0.057
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C34 H27 N1'
_cod_database_code               8101650
Crystal structure of <i>N</i>-methyl-<i>N</i>-phenyl-(2-methyl-3-phenylcyclopropenylidene) ammonium perchlorate, C~17~H~16~N^+^ClO~4~^-^ and of 3-cyano-1,2,3- triphenylcycloprop-1-ene-benzene (1/2), C~22~H~15~N · 2C~6~H~6~
Irngartinger, Hermann; Altreuther, Annegret; Krebs, A.; Toda, Fumio; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 797–799; doi:

data_8101651
_publ_section_title
;Crystal structure of
 <i>N</i>-methyl-<i>N</i>-phenyl-(2-methyl-3-phenylcyclopropenylidene)
ammonium
 perchlorate, C~17~H~16~N^+^ClO~4~^-^ and of
 3-cyano-1,2,3-
triphenylcycloprop-1-ene-benzene (1/2), C~22~H~15~N &#x00B7;
 2C~6~H~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              797
_journal_page_last               799
_journal_volume                  213
_journal_year                    1998
_chemical_formula_structural     'C17 H16 N^+^ ClO~4~^-^'
_chemical_formula_sum            'C17 H16 Cl N O4'
_chemical_formula_weight         333.8
_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                 92.68(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.616(1)
_cell_length_b                   7.373(1)
_cell_length_c                   18.753(2)
_cell_measurement_temperature    223(2)
_cell_volume                     1604.3(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.38
_refine_ls_R_factor_obs          0.049
_refine_ls_wR_factor_obs         0.140
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101651
Crystal structure of 8-methyl-8-phenyl-[8<i>H</i>]-pyrano[3,2-<i>f </i>]quinoline, C~19~H~15~NO
Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Lokshin, Vladimir; Guglielmetti, Robert; Pèpe, Gérard; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 743–744; doi:

data_8101652
_publ_section_title
;
Crystal structure of 8-methyl-8-phenyl-[8<i>H</i>]-pyrano[3,2-<i>f
</i>]quinoline, C~19~H~15~NO
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              743
_journal_page_last               744
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'C19 H15 N O'
_chemical_formula_weight         273.32
_chemical_melting_point          378.15
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.30(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.741(4)
_cell_length_b                   7.584(2)
_cell_length_c                   8.802(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1439.5(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.261
_refine_ls_R_factor_obs          0.0375
_refine_ls_wR_factor_obs         0.1158
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (8 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '105 \%' was changed to '378.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               8101652
Crystal structure of calcium tectozincotrisilicate, CaZnSi~3~O~8~
Heuer, Matthias; Bente, Klaus; Steins, Manfred; Rothkopf, Alexandra; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 691–692; doi:

data_8101653
_publ_section_title
;
Crystal structure of calcium tectozincotrisilicate, CaZnSi~3~O~8~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              691
_journal_page_last               692
_journal_volume                  213
_journal_year                    1998
_chemical_formula_structural     'Ca2 Zn2 Si6 O16'
_chemical_formula_sum            'Ca2 O16 Si6 Zn2'
_chemical_formula_weight         635.44
_space_group_IT_number           2
_symmetry_cell_setting           ?
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.76(5)
_cell_angle_beta                 116.120(7)
_cell_angle_gamma                84.368(7)
_cell_formula_units_Z            2
_cell_length_a                   8.1210(10)
_cell_length_b                   12.9270(10)
_cell_length_c                   7.2060(10)
_cell_measurement_temperature    293(2)
_cell_volume                     675.74(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.123
_refine_ls_R_factor_obs          0.0381
_refine_ls_wR_factor_obs         0.0778
_cod_database_code               8101653
Crystal structure of bis(triphenylphosphine)[<i>O</i>,<i>O</i>,<i> O</i>-tris(1,1-dimethyl-ethyl)monothioorthosilicato-<i>S</i>]silver, C~48~H~57~AgO~3~P~2~SSi
Becker, B.; Chojnacki, J.; Konitz, A.; Wojnowski, W.; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 697–698; doi:

data_8101654
_publ_section_title
;
Crystal structure of bis(triphenylphosphine)[<i>O</i>,<i>O</i>,<i>
O</i>-tris(1,1-dimethyl-ethyl)monothioorthosilicato-<i>S</i>]silver, 
C~48~H~57~AgO~3~P~2~SSi
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              697
_journal_page_last               698
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'C48 H57 Ag O3 P2 S Si'
_chemical_formula_weight         911.90
_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                90.19(1)
_cell_angle_beta                 94.11(2)
_cell_angle_gamma                106.58(2)
_cell_formula_units_Z            2
_cell_length_a                   10.259(3)
_cell_length_b                   12.946(2)
_cell_length_c                   18.626(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2364.1(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.281
_refine_ls_R_factor_obs          0.0333
_refine_ls_wR_factor_obs         0.0898
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (61 time).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101654