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a
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siga
float64
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alpha
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beta
float64
sigbeta
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gamma
float64
siggamma
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vol
float64
sigvol
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celltemp
float64
sigcelltemp
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diffrtemp
float64
sigdiffrtemp
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cellpressure
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sigcellpressure
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diffrpressure
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sigdiffrpressure
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thermalhist
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compoundsource
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nel
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sg
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sgHall
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sgNumber
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commonname
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chemname
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mineral
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formula
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calcformula
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cellformula
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Z
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authors
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title
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year
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int64
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float64
Robs
float64
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float64
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float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
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float64
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float64
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float64
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int64
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1,001,234
6.5656
0.0025
5.285
0.0015
20.573
0.015
90
null
96.18
0.04
90
null
709.7
null
null
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
Phosphorus tungsten oxide (4/10/38)
- O38 P4 W10 -
- O38 P4 W10 -
- O38 P4 W10 -
1
0.5
Benmoussa, A; Labbe, P; Groult, D; Raveau, B
Mixed Valence Tungsten Oxides with a Tunnel Structure, P~4~ W~4n~ O~12n+8~: A Nonintegral Member P~4~ W~10~ O~38~ (n=2.5)
Journal of Solid State Chemistry
1,982
44
318
325
10.1016/0022-4596(82)90379-6
null
0.074
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Benmoussa, A; Labbe, P; Groult, D; Raveau, B Mixed Valence Tungsten Oxides with a Tunnel Structure, P~4~ W~4n~ O~12n+8~: A Nonintegral Member P~4~ W~10~ O~38~ (n=2.5) Journal of Solid State Chemistry 44 (1982) 318-325
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001234.cif $ #-------------------------------------------------------------------...
1,001,235
6.611
0.004
8.88
0.008
30.154
0.018
90
null
90
null
90
null
1,770.2
null
null
null
null
null
null
null
null
null
4
C m c m
-C 2c 2
63
Potassium hexatitanium pentaniobium oxide
- K Nb5 O25 Ti6 -
- K Nb5 O25 Ti6 -
- K4 Nb20 O100 Ti24 -
4
0.25
Groult, D; Raveau, B
K Ti~6~ Nb~5~ O~25~: A member of a series of chemically twinned Rutile oxides (A M~3~ O~9~)(M~2~ O~4~)~n~
Materials Research Bulletin
1,983
18
141
146
10.1016/0025-5408(83)90074-0
null
0.072
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Raveau, B K Ti~6~ Nb~5~ O~25~: A member of a series of chemically twinned Rutile oxides (A M~3~ O~9~)(M~2~ O~4~)~n~ Materials Research Bulletin 18 (1983) 141-146
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001235.cif $ #-------------------------------------------------------------------...
1,001,236
10.7433
0.0016
14.0839
0.0009
8.8519
0.0007
90
null
126.42
0.01
90
null
1,077.8
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Tetrapotassium 52-oxo-octamolybdo(V)dodecaphosphate
- K4 Mo8 O52 P12 -
- K4 Mo8 O52 P12 -
- K4 Mo8 O52 P12 -
1
0.125
Leclaire, A; Monier, J C; Raveau, B
K~4~ Mo~8~ P~12~ O~52~, A Tunnel Structure Characterized by an Unusual Valence of Molybdenum
Journal of Solid State Chemistry
1,983
48
147
153
10.1016/0022-4596(83)90069-5
null
0.026
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Monier, J C; Raveau, B K~4~ Mo~8~ P~12~ O~52~, A Tunnel Structure Characterized by an Unusual Valence of Molybdenum Journal of Solid State Chemistry 48 (1983) 147-153
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001236.cif $ #-------------------------------------------------------------------...
1,001,237
16.194
0.003
3.7719
0.0004
17.095
0.004
90
null
93.89
0.02
90
null
1,041.8
null
null
null
null
null
null
null
null
null
4
P 1 2/c 1
-P 2yc
13
Rubidium phosphorus tungsten oxide (.8/4/16/56)
- O56 P4 Rb0.8 W16 -
- O56 P4 Rb0.8 W16 -
- O56 P4 Rb0.8 W16 -
1
0.25
Giroult, J P; Goreaud, M; Labbe, P; Raveau, B
Rb~x~ P~8~ W~32~ O~112~: A Tunnel Structure Built up from Re O~3~-Type Blocks and P~2~ O~7~ Groups
Acta Crystallographica B (24,1968-38,1982)
1,980
36
2570
2575
10.1107/S0567740880009466
null
0.038
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Giroult, J P; Goreaud, M; Labbe, P; Raveau, B Rb~x~ P~8~ W~32~ O~112~: A Tunnel Structure Built up from Re O~3~-Type Blocks and P~2~ O~7~ Groups Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2570-2575
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001237.cif $ #-------------------------------------------------------------------...
7,151,835
6.1705
0.0007
7.7879
0.0008
18.703
0.003
90
null
94.971
0.007
90
null
895.4
0.2
296
2
296
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C12.67 H12 N O2 S -
- C12 H12 N1.33333 O2.66667 S1.33333 -
- C36 H36 N4 O8 S4 -
3
0.75
Dhara, Kalyan; Paladhi, Sushovan; Midya, Ganesh Chandra; Dash, Jyotirmayee
Synthesis of spirocyclic thiazolidinediones using ring-closing metathesis and one-pot sequential ring-closing/cross metathesis.
Organic & biomolecular chemistry
2,011
9
10
3801
3807
10.1039/c0ob01248c
0.71073
MoKα
0.0565
0.039
null
null
0.103
0.1138
null
null
null
null
null
1.044
null
null
has coordinates
Dhara, Kalyan; Paladhi, Sushovan; Midya, Ganesh Chandra; Dash, Jyotirmayee Synthesis of spirocyclic thiazolidinediones using ring-closing metathesis and one-pot sequential ring-closing/cross metathesis. Organic & biomolecular chemistry 9(10) (2011) 3801-3807
180,304
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 15:32:43 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180304 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151835.cif $ #-------------------------------------------------------------------...
1,001,238
7.7523
0.0002
7.7523
0.0002
5.6198
0.0002
90
null
90
null
120
null
292.5
null
null
null
null
null
null
null
null
null
2
P 3 1 c
P 3 -2c
159
Silicon nitride - $-alpha
- N4 Si3 -
- N4 Si3 -
- N16 Si12 -
4
0.666667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001238.cif $ #-------------------------------------------------------------------...
1,001,239
7.766
0.0002
7.766
0.0002
5.6297
0.0003
90
null
90
null
120
null
294
null
null
null
null
null
null
null
null
null
2
P 3 1 c
P 3 -2c
159
Silicon nitride - $-alpha
- N4 Si3 -
- N4 Si3 -
- N16 Si12 -
4
0.666667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001239.cif $ #-------------------------------------------------------------------...
1,001,240
7.7696
0.0002
7.7696
0.0002
5.6318
0.0003
90
null
90
null
120
null
294.4
null
null
null
null
null
null
null
null
null
2
P 3 1 c
P 3 -2c
159
Silicon nitride - $-alpha
- N4 Si3 -
- N4 Si3 -
- N16 Si12 -
4
0.666667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001240.cif $ #-------------------------------------------------------------------...
1,001,241
7.7809
0.0003
7.7809
0.0003
5.6407
0.0004
90
null
90
null
120
null
295.7
null
null
null
null
null
null
null
null
null
2
P 3 1 c
P 3 -2c
159
Silicon nitride - $-alpha
- N4 Si3 -
- N4 Si3 -
- N16 Si12 -
4
0.666667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001241.cif $ #-------------------------------------------------------------------...
1,001,242
7.7853
0.0004
7.7853
0.0004
5.6431
0.0005
90
null
90
null
120
null
296.2
null
null
null
null
null
null
null
null
null
2
P 3 1 c
P 3 -2c
159
Silicon nitride - $-alpha
- N4 Si3 -
- N4 Si3 -
- N16 Si12 -
4
0.666667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001242.cif $ #-------------------------------------------------------------------...
1,001,243
7.791
0.0004
7.791
0.0004
5.6492
0.0005
90
null
90
null
120
null
297
null
null
null
null
null
null
null
null
null
2
P 3 1 c
P 3 -2c
159
Silicon nitride - $-alpha
- N4 Si3 -
- N4 Si3 -
- N16 Si12 -
4
0.666667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001243.cif $ #-------------------------------------------------------------------...
7,151,834
9.3443
0.0007
11.4954
0.0008
16.1665
0.0011
90
null
90
null
90
null
1,736.5
0.2
293
2
293
2
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C20 H22 O6 -
- C20 H22 O6 -
- C80 H88 O24 -
4
1
Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao
Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.
Organic & biomolecular chemistry
2,011
9
9
3176
3179
10.1039/c0ob01239d
0.71073
MoKα
0.041
0.039
null
null
0.1035
0.1055
null
null
null
null
null
1.021
null
null
has coordinates
Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide. Organic & biomolecular chemistry 9(9) (2011) 3176-3179
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151834.cif $ #-------------------------------------------------------------------...
1,001,244
7.6018
0.0004
7.6018
0.0004
2.9066
0.0002
90
null
90
null
120
null
145.5
null
null
null
null
null
null
null
null
null
2
P 63/m
-P 6c
176
Silicon nitride - $-beta
- N4 Si3 -
- N4 Si3 -
- N8 Si6 -
2
0.166667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001244.cif $ #-------------------------------------------------------------------...
1,001,245
7.614
0.0004
7.614
0.0004
2.9123
0.0002
90
null
90
null
120
null
146.2
null
null
null
null
null
null
null
null
null
2
P 63/m
-P 6c
176
Silicon nitride - $-beta
- N4 Si3 -
- N4 Si3 -
- N8 Si6 -
2
0.166667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001245.cif $ #-------------------------------------------------------------------...
1,001,246
7.617
0.0004
7.617
0.0004
2.9134
0.0002
90
null
90
null
120
null
146.4
null
null
null
null
null
null
null
null
null
2
P 63/m
-P 6c
176
Silicon nitride - $-beta
- N4 Si3 -
- N4 Si3 -
- N8 Si6 -
2
0.166667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001246.cif $ #-------------------------------------------------------------------...
1,001,247
7.6272
0.0006
7.6272
0.0006
2.9182
0.0003
90
null
90
null
120
null
147
null
null
null
null
null
null
null
null
null
2
P 63/m
-P 6c
176
Silicon nitride - $-beta
- N4 Si3 -
- N4 Si3 -
- N8 Si6 -
2
0.166667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001247.cif $ #-------------------------------------------------------------------...
1,001,248
7.6322
0.0006
7.6322
0.0006
2.9191
0.0004
90
null
90
null
120
null
147.3
null
null
null
null
null
null
null
null
null
2
P 63/m
-P 6c
176
Silicon nitride - $-beta
- N4 Si3 -
- N4 Si3 -
- N8 Si6 -
2
0.166667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001248.cif $ #-------------------------------------------------------------------...
1,001,249
7.6374
0.0007
7.6374
0.0007
2.922
0.0004
90
null
90
null
120
null
147.6
null
null
null
null
null
null
null
null
null
2
P 63/m
-P 6c
176
Silicon nitride - $-beta
- N4 Si3 -
- N4 Si3 -
- N8 Si6 -
2
0.166667
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales du nitrure de silicium en fonction de la temperature
Materials Research Bulletin
1,983
18
921
934
10.1016/0025-5408(83)90003-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin 18 (1983) 921-934
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001249.cif $ #-------------------------------------------------------------------...
7,151,833
9.5128
0.0008
7.9036
0.0007
12.3434
0.001
90
null
109.552
0.001
90
null
874.53
0.13
293
2
293
2
null
null
null
null
3
P 1 21 1
P 2yb
4
- C21 H26 O3 -
- C21 H26 O3 -
- C42 H52 O6 -
2
1
Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao
Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.
Organic & biomolecular chemistry
2,011
9
9
3176
3179
10.1039/c0ob01239d
0.71073
MoKα
0.0493
0.0472
null
null
0.1288
0.1314
null
null
null
null
null
1.043
null
null
has coordinates
Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide. Organic & biomolecular chemistry 9(9) (2011) 3176-3179
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151833.cif $ #-------------------------------------------------------------------...
1,001,250
7.068
0.003
12.324
0.004
5.706
0.002
90
null
90
null
90
null
497
null
null
null
null
null
null
null
null
null
Synthetic
4
P b n m
-P 2c 2ab
62
Diyttrium barium zinc oxide
- Ba O5 Y2 Zn -
- Ba O5 Y2 Zn -
- Ba4 O20 Y8 Zn4 -
4
0.5
Michel, C; Raveau, B
Ln~2~ Ba Zn O~5~ and Ln~2~ Ba Zn~1-X~ Cu~X~ O~5~: A Series of Zinc Oxides with Zinc in a Pyramidal Coordination
Journal of Solid State Chemistry
1,983
49
150
156
10.1016/0022-4596(83)90108-1
null
0.062
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Michel, C; Raveau, B Ln~2~ Ba Zn O~5~ and Ln~2~ Ba Zn~1-X~ Cu~X~ O~5~: A Series of Zinc Oxides with Zinc in a Pyramidal Coordination Journal of Solid State Chemistry 49 (1983) 150-156
282,068
2023-03-26
10:11:44
#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001250.cif $ #-------------------------------------------------------------------...
1,001,251
9.84
null
5.81
null
20.65
null
90
null
90
0
90
null
1,180.6
null
null
null
null
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
Barium discandium oxide
- Ba O4 Sc2 -
- Ba O4 Sc2 -
- Ba12 O48 Sc24 -
12
1.5
Agafonov, V; Kahn, A; Michel, D; Guymont, M
Crystal structure of Ba Sc~2~ O~4~; its relation with Perovskite
Materials Research Bulletin
1,983
18
975
981
10.1016/0025-5408(83)90009-0
null
0.05
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Agafonov, V; Kahn, A; Michel, D; Guymont, M Crystal structure of Ba Sc~2~ O~4~; its relation with Perovskite Materials Research Bulletin 18 (1983) 975-981
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001251.cif $ #-------------------------------------------------------------------...
1,001,252
6.66
0.002
5.3483
0.0003
27.06
0.05
90
null
97.2
0.02
90
null
956.3
null
null
null
null
null
null
null
null
null
4
A 1 2/m 1
-A 2y
12
Potassium phosphorus tungsten oxide (1.4/4/14/50)
- K1.4 O50 P4 W14 -
- K1.4 O50 P4 W14 -
- K1.4 O50 P4 W14 -
1
0.125
Domenges, B; Goreaud, M; Labbe, P; Raveau, B
K~1.4~ P~4~ W~14~ O~50~: An Odd-m Member (m=7) of the Monophosphate Tungsten Bronze Series K~x~ P~4~ O~8~ (W O~3~)~2m~
Journal of Solid State Chemistry
1,983
50
173
179
10.1016/0022-4596(83)90185-8
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Domenges, B; Goreaud, M; Labbe, P; Raveau, B K~1.4~ P~4~ W~14~ O~50~: An Odd-m Member (m=7) of the Monophosphate Tungsten Bronze Series K~x~ P~4~ O~8~ (W O~3~)~2m~ Journal of Solid State Chemistry 50 (1983) 173-179
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001252.cif $ #-------------------------------------------------------------------...
1,001,253
13.201
0.015
7.813
0.004
12.2
0.08
90
null
108.72
null
90
null
1,191.7
null
null
null
null
null
null
null
null
null
5
C 1 c 1
C -2yc
9
Pentamminecarbamatocobalt(III) nitrate
- C H17 Co N8 O8 -
- C H17 Co N8 O8 -
- C4 H68 Co4 N32 O32 -
4
1
Bernard, M A; Borel, M M; Grandin, A; Leclaire, A
Mise en evidence du ligand carbamato synthetise en milieu aqueux. Structure de Co (O C O N H~2~) (N H~3~)~5~ (N O~3~)~2~
Revue de Chimie Minerale
1,979
16
477
484
null
0.03
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bernard, M A; Borel, M M; Grandin, A; Leclaire, A Mise en evidence du ligand carbamato synthetise en milieu aqueux. Structure de Co (O C O N H~2~) (N H~3~)~5~ (N O~3~)~2~ Revue de Chimie Minerale 16 (1979) 477-484
301,771
2025-08-18
12:22:44
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:21:50 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301771 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001253.cif $ #-------------------------------------------------------------------...
1,001,254
37.6093
0.0099
6.9222
0.0003
6.9234
0.0012
91.456
0.013
90.728
0.017
95.15
0.016
1,794.4
null
null
null
null
null
null
null
null
null
3
P -1
-P 1
2
Dineodymium digermanate
- Ge2 Nd2 O7 -
- Ge2 Nd2 O7 -
- Ge24 Nd24 O84 -
12
6
Vetter, G; Queyroux, F; Labbe, P; Goreaud, M
Determination structurale de Nd~2~ Ge~2~ O~7~
Journal of Solid State Chemistry
1,982
45
293
302
10.1016/0022-4596(82)90174-8
null
0.061
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Vetter, G; Queyroux, F; Labbe, P; Goreaud, M Determination structurale de Nd~2~ Ge~2~ O~7~ Journal of Solid State Chemistry 45 (1982) 293-302
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001254.cif $ #-------------------------------------------------------------------...
7,151,832
6.3831
0.0014
7.837
0.003
15.41
0.003
90
null
90.91
0.03
90
null
770.8
0.4
130
2
130
2
null
null
null
null
4
P 1 21 1
P 2yb
4
- C14 H14 N4 O7 -
- C14 H14 N4 O7 -
- C28 H28 N8 O14 -
2
1
Goeschen, Catrin; Wibowo, Natalia; White, Jonathan M.; Wille, Uta
Damage of aromatic amino acids by the atmospheric free radical oxidant NO3˙ in the presence of NO2˙, N2O4, O3 and O2.
Organic & biomolecular chemistry
2,011
9
9
3380
3385
10.1039/c0ob01186j
1.54184
CuKα
0.2038
0.057
null
null
0.062
0.0838
null
null
null
null
null
0.615
null
null
has coordinates
Goeschen, Catrin; Wibowo, Natalia; White, Jonathan M.; Wille, Uta Damage of aromatic amino acids by the atmospheric free radical oxidant NO3˙ in the presence of NO2˙, N2O4, O3 and O2. Organic & biomolecular chemistry 9(9) (2011) 3380-3385
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151832.cif $ #-------------------------------------------------------------------...
1,001,255
18.315
0.003
24.506
0.004
7.296
0.002
90
null
90
null
90
null
3,274.6
null
null
null
null
null
null
null
null
null
3
A m a m
-A 2 2a
63
Caesium niobium oxide (3/5.96/16.4)
- Cs3 Nb5.96 O16.4 -
- Cs3 Nb5.96 O16.4 -
- Cs24 Nb47.68 O131.2 -
8
0.5
Saine, M C; Gasperin, M
Synthese et Structure d'un Niobate de Cesium non Stoechiometrique, Cs~3~ Nb~5.96~ O~16.4~
Acta Crystallographica C (39,1983-)
1,983
39
1153
1156
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Saine, M C; Gasperin, M Synthese et Structure d'un Niobate de Cesium non Stoechiometrique, Cs~3~ Nb~5.96~ O~16.4~ Acta Crystallographica C (39,1983-) 39 (1983) 1153-1156
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001255.cif $ #-------------------------------------------------------------------...
1,001,256
12.25
null
12.25
null
3.83
null
90
null
90
null
90
null
574.7
null
null
null
null
null
null
null
null
null
3
P 4/m b m
-P 4 2ab
127
Tin tungsten oxide (.3/1/3)
- O3 Sn0.3 W -
- O3 Sn0.26 W -
- O30 Sn2.6 W10 -
10
0.625
Goreaud, M; Labbe, P; Monfort, Y; Raveau, B
Comportement de Sn(II) dans les bronzes quadratiques de tungstene. Surstructure de Sn~.3~ W O~3~
Revue de Chimie Minerale
1,980
17
79
87
null
0.076
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Goreaud, M; Labbe, P; Monfort, Y; Raveau, B Comportement de Sn(II) dans les bronzes quadratiques de tungstene. Surstructure de Sn~.3~ W O~3~ Revue de Chimie Minerale 17 (1980) 79-87
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001256.cif $ #-------------------------------------------------------------------...
1,001,257
12.425
0.008
7.511
0.005
5.653
0.005
90
null
90
null
107.8
0.2
502.3
null
null
null
null
null
null
null
null
null
3
P 1 1 21/m
-P 2c
11
Dysprosium hexaoxorhenate(IV) hexaoxorhenate(V)
- Dy5 O12 Re2 -
- Dy5 O12 Re2 -
- Dy10 O24 Re4 -
2
0.5
Baud, G; Besse, J P; Chevalier, R; Gasperin, M
Synthese et etude structurale de l'oxyde double Dy~5~ Re~2~ O~12~
Materials Chemistry and Physics
1,983
8
93
99
10.1016/0254-0584(83)90042-1
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Baud, G; Besse, J P; Chevalier, R; Gasperin, M Synthese et etude structurale de l'oxyde double Dy~5~ Re~2~ O~12~ Materials Chemistry and Physics 8 (1983) 93-99
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001257.cif $ #-------------------------------------------------------------------...
1,001,258
5.574
null
5.574
null
22.008
null
90
null
90
null
120
null
592.2
null
null
null
null
null
null
null
null
null
4
P 63/m m c
-P 6c 2c
194
Lanthanum manganese undecaaluminium oxide
- Al11 La Mn O19 -
- Al11 La0.99 Mn O19 -
- Al22 La1.98 Mn2 O38 -
2
0.083333
Gasperin, M; Saine, M C; Kahn, A; LaVille, F; Lejus, A M
Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure
Journal of Solid State Chemistry
1,984
54
61
69
10.1016/0022-4596(84)90131-2
null
0.062
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M; Saine, M C; Kahn, A; LaVille, F; Lejus, A M Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure Journal of Solid State Chemistry 54 (1984) 61-69
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001258.cif $ #-------------------------------------------------------------------...
1,001,259
5.577
null
5.577
null
22.003
null
90
null
90
null
120
null
592.7
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Lanthanum aluminium oxide (.9/11.9/18.9)
- Al11.95 La0.9 O18.9 -
- Al11.88 La0.9 O19 -
- Al23.76 La1.8 O38 -
2
0.083333
Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A
Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure
Journal of Solid State Chemistry
1,984
54
61
69
10.1016/0022-4596(84)90131-2
null
0.06
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure Journal of Solid State Chemistry 54 (1984) 61-69
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001259.cif $ #-------------------------------------------------------------------...
7,151,831
6.0736
0.0003
11.6934
0.0005
17.749
0.0009
74.4693
0.0012
86.7204
0.0013
73.3481
0.0013
1,163.33
0.1
103.1
null
103.1
null
null
null
null
null
5
P -1
-P 1
2
- C27 H17 Cl2 N Se2 -
- C27 H17 Cl2 N Se2 -
- C54 H34 Cl4 N2 Se4 -
2
1
Mitamura, Takenori; Iwata, Kimiyo; Nomoto, Akihiro; Ogawa, Akiya
Photochemical intramolecular cyclization of o-alkynylaryl isocyanides with organic dichalcogenides leading to 2,4-bischalcogenated quinolines.
Organic & biomolecular chemistry
2,011
9
10
3768
3775
10.1039/c0ob01168a
0.71075
MoKα
null
0.0582
null
null
null
0.1941
null
null
null
null
null
1.005
null
null
has coordinates
Mitamura, Takenori; Iwata, Kimiyo; Nomoto, Akihiro; Ogawa, Akiya Photochemical intramolecular cyclization of o-alkynylaryl isocyanides with organic dichalcogenides leading to 2,4-bischalcogenated quinolines. Organic & biomolecular chemistry 9(10) (2011) 3768-3775
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151831.cif $ #-------------------------------------------------------------------...
1,001,260
5.55
null
5.55
null
22.021
null
90
null
90
null
120
null
587.4
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Lanthanum aluminium oxide (.9/11.5/18.5)
- Al11.5 La0.85 O18.5 -
- Al11.54 La0.83 O18.52 -
- Al23.08 La1.66 O37.04 -
2
0.083333
Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A
Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure
Journal of Solid State Chemistry
1,984
54
61
69
10.1016/0022-4596(84)90131-2
null
0.066
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure Journal of Solid State Chemistry 54 (1984) 61-69
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001260.cif $ #-------------------------------------------------------------------...
1,001,261
5.55
null
5.55
null
22.031
null
90
null
90
null
120
null
587.7
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Lanthanum aluminium oxide (.9/11.6/18.6)
- Al11.55 La0.85 O18.6 -
- Al11.532 La0.85 O18.622 -
- Al23.064 La1.7 O37.244 -
2
0.083333
Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A
Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure
Journal of Solid State Chemistry
1,984
54
61
69
10.1016/0022-4596(84)90131-2
null
0.062
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure Journal of Solid State Chemistry 54 (1984) 61-69
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001261.cif $ #-------------------------------------------------------------------...
1,001,262
8.361
null
8.361
null
8.361
null
90
null
90
null
90
null
584.5
null
null
null
null
null
null
null
null
null
4
null
Cobalt nickel vanadium oxide (1/1/1/4)
- Co Ni O4 V -
null
null
Bernier, J C; Poix, P; Michel, A
Etude cristallographique et magnetique de la solution solide V O~4~ Co~2-2X~ Ni~2X~.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,962
254
2351
2353
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bernier, J C; Poix, P; Michel, A Etude cristallographique et magnetique de la solution solide V O~4~ Co~2-2X~ Ni~2X~. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 254 (1962) 2351-2353
35,911
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001262.cif $ #--------------------------------------------------------------------...
1,001,263
10.443
0.005
10.443
0.005
10.443
0.005
90
null
90
null
90
null
1,138.9
null
null
null
null
null
null
null
null
null
4
F d -3 m :2
-F 4vw 2vw 3
227
Cadmium niobate hydrate
- Cd H2 Nb2 O7 -
- Cd H2 Nb2 O7 -
- Cd8 H16 Nb16 O56 -
8
0.041667
Groult, D; Michel, C; Raveau, B
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
Journal of Inorganic and Nuclear Chemistry
1,975
37
2203
2205
10.1016/0022-1902(75)80857-8
null
0.066
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Michel, C; Raveau, B Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001263.cif $ #-------------------------------------------------------------------...
1,001,264
10.512
0.005
10.512
0.005
10.512
0.005
90
null
90
null
90
null
1,161.6
null
null
null
null
null
null
null
null
null
4
F d -3 m :2
-F 4vw 2vw 3
227
Calcium hydrogen niobium oxide hydrate (0.4/1.2/2/6/1)
- Ca0.4 H3.2 Nb2 O7 -
- Ca0.4 H9.4 Nb2 O7 -
- Ca3.2 H75.2 Nb16 O56 -
8
0.041667
Groult, D; Michel, C; Raveau, B
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
Journal of Inorganic and Nuclear Chemistry
1,975
37
2203
2205
10.1016/0022-1902(75)80857-8
null
0.056
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Michel, C; Raveau, B Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001264.cif $ #-------------------------------------------------------------------...
7,151,830
5.805
0.004
10.234
0.006
13.495
0.008
69.524
0.007
88.465
0.014
89.34
0.013
750.8
0.8
298
null
298
null
null
null
null
null
5
P -1
-P 1
2
- C17 H17 N O2 S -
- C17 H17 N O2 S -
- C34 H34 N2 O4 S2 -
2
1
Rao, R. Mohan; Reddy, Upendar C. H.; Alinakhi,; Mulakayala, Naveen; Alvala, Mallika; Arunasree, M. K.; Poondra, Rajamohan R.; Iqbal, Javed; Pal, Manojit
Sequential coupling/desilylation-coupling/cyclization in a single pot under Pd/C-Cu catalysis: synthesis of 2-(hetero)aryl indoles.
Organic & biomolecular chemistry
2,011
9
10
3808
3816
10.1039/c0ob01161d
0.7107
MoKα
null
0.0574
null
null
null
0.0603
null
null
null
null
null
1.089
null
null
has coordinates
Rao, R. Mohan; Reddy, Upendar C. H.; Alinakhi,; Mulakayala, Naveen; Alvala, Mallika; Arunasree, M. K.; Poondra, Rajamohan R.; Iqbal, Javed; Pal, Manojit Sequential coupling/desilylation-coupling/cyclization in a single pot under Pd/C-Cu catalysis: synthesis of 2-(hetero)aryl indoles. Organic & biomolecular chemistry 9(...
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151830.cif $ #-------------------------------------------------------------------...
1,001,265
10.56
0.005
10.56
0.005
10.56
0.005
90
null
90
null
90
null
1,177.6
null
null
null
null
null
null
null
null
null
4
F d -3 m :2
-F 4vw 2vw 3
227
Strontium hydrogen niobium oxide hydrate (0.4/1.2/2/6/1)
- H3.2 Nb2 O7 Sr0.4 -
- H9.4 Nb2 O7 Sr0.4 -
- H75.2 Nb16 O56 Sr3.2 -
8
0.041667
Groult, D; Michel, C; Raveau, B
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
Journal of Inorganic and Nuclear Chemistry
1,975
37
2203
2205
10.1016/0022-1902(75)80857-8
null
0.049
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Michel, C; Raveau, B Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001265.cif $ #-------------------------------------------------------------------...
1,001,266
10.433
0.005
10.433
0.005
10.433
0.005
90
null
90
null
90
null
1,135.6
null
null
null
null
null
null
null
null
null
4
F d -3 m :2
-F 4vw 2vw 3
227
Cadmium tantalate hydrate
- Cd H2 O7 Ta2 -
- Cd H2 O7 Ta2 -
- Cd8 H16 O56 Ta16 -
8
0.041667
Groult, D; Michel, C; Raveau, B
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
Journal of Inorganic and Nuclear Chemistry
1,975
37
2203
2205
10.1016/0022-1902(75)80857-8
null
0.076
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Michel, C; Raveau, B Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001266.cif $ #-------------------------------------------------------------------...
1,001,267
10.478
0.005
10.478
0.005
10.478
0.005
90
null
90
null
90
null
1,150.4
null
null
null
null
null
null
null
null
null
4
F d -3 m :2
-F 4vw 2vw 3
227
Calcium hydrogen tantalum oxide hydrate (0.5/1/2/6/1)
- Ca0.5 H3 O7 Ta2 -
- Ca0.5 H3 O7 Ta2 -
- Ca4 H24 O56 Ta16 -
8
0.041667
Groult, D; Michel, C; Raveau, B
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
Journal of Inorganic and Nuclear Chemistry
1,975
37
2203
2205
10.1016/0022-1902(75)80857-8
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Michel, C; Raveau, B Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001267.cif $ #-------------------------------------------------------------------...
1,001,268
10.554
0.005
10.554
0.005
10.554
0.005
90
null
90
null
90
null
1,175.6
null
null
null
null
null
null
null
null
null
4
F d -3 m :2
-F 4vw 2vw 3
227
Strontium hydrogen tantalum oxide hydrate (0.25/1.5/2/6/1)
- H3.5 O7 Sr0.25 Ta2 -
- H10 O7 Sr0.25 Ta2 -
- H80 O56 Sr2 Ta16 -
8
0.041667
Groult, D; Michel, C; Raveau, B
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
Journal of Inorganic and Nuclear Chemistry
1,975
37
2203
2205
10.1016/0022-1902(75)80857-8
null
0.054
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Michel, C; Raveau, B Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001268.cif $ #-------------------------------------------------------------------...
7,151,829
8.3858
0.0002
8.9432
0.0004
16.6524
0.0014
82.616
0.011
76.245
0.009
83.941
0.014
1,199.33
0.13
120.1
null
null
null
null
null
null
null
3
P -1
-P 1
2
- C15 H18 O2 -
- C15 H18 O2 -
- C60 H72 O8 -
4
2
Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean
Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.
Organic & biomolecular chemistry
2,011
9
9
3447
3456
10.1039/c0ob01152e
0.7107
MoKα
null
0.0442
null
null
null
0.0555
null
null
null
null
null
1.051
null
null
has coordinates
Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems. Organic & biomolecular chemistry 9(9) (2011) 3447-3456
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151829.cif $ #-------------------------------------------------------------------...
1,001,269
10
0.003
9.959
0.003
7.315
0.002
90
null
111.29
0.02
90
null
678.8
null
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
Dibarium trititanium tetraniobium oxide
- Ba2 Nb4 O18 Ti3 -
- Ba2 Nb4 O18 Ti3 -
- Ba4 Nb8 O36 Ti6 -
2
0.5
Gasperin, M
Syntheses and Structure of a New Titanoniobate: The Trititanotetraniobate of Dibarium, Ba~2~ Ti~3~ Nb~4~ O~18~
Acta Crystallographica C (39,1983-)
1,984
40
9
11
null
0.043
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M Syntheses and Structure of a New Titanoniobate: The Trititanotetraniobate of Dibarium, Ba~2~ Ti~3~ Nb~4~ O~18~ Acta Crystallographica C (39,1983-) 40 (1984) 9-11
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001269.cif $ #-------------------------------------------------------------------...
1,001,270
20.351
0.003
3.801
0.002
11.882
0.002
90
null
120.19
0.01
90
null
794.5
null
null
null
null
null
null
null
null
null
3
C 1 2/m 1
-C 2y
12
Titanium diniobium oxide
- Nb2 O7 Ti -
- Nb2.0001 O7 Ti0.9999 -
- Nb12.0006 O42 Ti5.9994 -
6
0.75
Gasperin, M
Affinement de la structure de Ti Nb~2~ O~7~ et repartition des cations
Journal of Solid State Chemistry
1,984
53
144
147
10.1016/0022-4596(84)90238-X
null
0.065
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M Affinement de la structure de Ti Nb~2~ O~7~ et repartition des cations Journal of Solid State Chemistry 53 (1984) 144-147
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001270.cif $ #-------------------------------------------------------------------...
1,001,271
17.788
0.011
5.277
0.004
6.607
0.005
90
null
99.64
0.05
90
null
611.4
null
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
Sodium tungstate phosphate *
- Na1.5 O32 P4 W8 -
- Na1.5 O32 P4 W8 -
- Na1.5 O32 P4 W8 -
1
0.25
Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B
Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6)
Acta Crystallographica C (39,1983-)
1,984
40
573
576
null
0.055
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6) Acta Crystallographica C (39,1983-) 40 (1984) 573-576
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001271.cif $ #-------------------------------------------------------------------...
1,001,272
23.775
0.017
5.291
0.001
6.588
0.002
90
null
93.47
0.04
90
null
827.2
null
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
Sodium tungstate phosphate *
- Na1.7 O44 P4 W12 -
- Na1.7 O44 P4 W12 -
- Na1.7 O44 P4 W12 -
1
0.25
Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B
Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6)
Acta Crystallographica C (39,1983-)
1,984
40
573
576
null
0.043
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6) Acta Crystallographica C (39,1983-) 40 (1984) 573-576
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001272.cif $ #-------------------------------------------------------------------...
7,151,828
8.5532
0.0017
18.428
0.005
8.108
0.0017
93.05
0.02
118.249
0.014
94.88
0.02
1,115.3
0.5
296.1
null
296.1
null
null
null
null
null
3
P -1
-P 1
2
- C14 H16 O2 -
- C14 H16 O2 -
- C56 H64 O8 -
4
2
Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean
Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.
Organic & biomolecular chemistry
2,011
9
9
3447
3456
10.1039/c0ob01152e
0.71069
MoKα
null
0.0448
null
null
null
0.0563
null
null
null
null
null
1.127
null
null
has coordinates
Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems. Organic & biomolecular chemistry 9(9) (2011) 3447-3456
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151828.cif $ #-------------------------------------------------------------------...
1,001,273
8.859
0.003
10.039
0.008
3.808
0.002
90
null
90
null
90
null
338.7
null
null
null
null
null
null
null
null
null
3
P b m m
-P 2 2b
51
Barium tungsten oxide (0.15/1/3)
- Ba0.15 O3 W -
- Ba0.15 O3 W -
- Ba0.9 O18 W6 -
6
0.75
Michel, C; Hervieu, M; Tilley, R J D; Raveau, B
Ba~.15~ W O~3~: A Bronze with an Original Pentagonal Tunnel Structure
Journal of Solid State Chemistry
1,984
52
281
291
10.1016/0022-4596(84)90011-2
null
0.43
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Michel, C; Hervieu, M; Tilley, R J D; Raveau, B Ba~.15~ W O~3~: A Bronze with an Original Pentagonal Tunnel Structure Journal of Solid State Chemistry 52 (1984) 281-291
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001273.cif $ #-------------------------------------------------------------------...
1,001,274
9.047
null
9.047
null
7.81
null
90
null
90
null
120
null
553.6
null
null
null
null
null
null
null
null
null
5
P -6 2 m
P -6 -2
189
POTASSIUM BARIUM SILICOTANTALATE *
- Ba K4 O26 Si4 Ta6 -
- Ba0.9999 K4.0002 O26 Si4 Ta6 -
- Ba0.9999 K4.0002 O26 Si4 Ta6 -
1
0.083333
Choisnet, J; Nguyen, N; Raveau, B
Silicotantalates et siliconiobates non-stoechiometriques: les composes K~6-2x~ Ba~x~ Ta~6~ Si~4~ O~26~ (0<x<3) et K~8~ M~14~ Si~4~ O~47~ (M = Ta, Nb)
Materials Research Bulletin
1,977
12
91
96
10.1016/0025-5408(77)90093-9
null
0.061
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J; Nguyen, N; Raveau, B Silicotantalates et siliconiobates non-stoechiometriques: les composes K~6-2x~ Ba~x~ Ta~6~ Si~4~ O~26~ (0<x<3) et K~8~ M~14~ Si~4~ O~47~ (M = Ta, Nb) Materials Research Bulletin 12 (1977) 91-96
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001274.cif $ #-------------------------------------------------------------------...
1,001,275
9.035
null
9.035
null
7.79
null
90
null
90
null
120
null
550.7
null
null
null
null
null
null
null
null
null
5
P -6 2 m
P -6 -2
189
POTASSIUM BARIUM SILICOTANTALATE *
- Ba1.5 K3 O26 Si4 Ta6 -
- Ba1.5 K3 O26 Si4 Ta6 -
- Ba1.5 K3 O26 Si4 Ta6 -
1
0.083333
Choisnet, J; Nguyen, N; Raveau, B
Silicotantalates et siliconiobates non-stoechiometriques: les composes K~6-2x~ Ba~x~ Ta~6~ Si~4~ O~26~ (0<x<3) et K~8~ M~14~ Si~4~ O~47~ (M = Ta, Nb)
Materials Research Bulletin
1,977
12
91
96
10.1016/0025-5408(77)90093-9
null
0.081
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J; Nguyen, N; Raveau, B Silicotantalates et siliconiobates non-stoechiometriques: les composes K~6-2x~ Ba~x~ Ta~6~ Si~4~ O~26~ (0<x<3) et K~8~ M~14~ Si~4~ O~47~ (M = Ta, Nb) Materials Research Bulletin 12 (1977) 91-96
130,149
2020-10-21
18:00:00
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7,151,827
11.2484
0.0009
8.5765
0.0005
12.9938
0.0009
90
null
105.921
0.003
90
null
1,205.45
0.15
120.1
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- C15 H20 O3 -
- C15 H20 O3 -
- C60 H80 O12 -
4
1
Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean
Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.
Organic & biomolecular chemistry
2,011
9
9
3447
3456
10.1039/c0ob01152e
0.7107
MoKα
null
0.0364
null
null
null
0.0452
null
null
null
null
null
1.014
null
null
has coordinates
Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems. Organic & biomolecular chemistry 9(9) (2011) 3447-3456
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151827.cif $ #-------------------------------------------------------------------...
1,001,276
9.112
0.005
9.112
0.005
20.01
0.01
90
null
90
null
120
null
1,438.8
null
null
null
null
null
null
null
null
null
4
P -6 2 m
P -6 -2
189
Pentapotassium undecaniobium digermanium oxide
- Ge4 K10 Nb22 O68 -
- Ge4 K9.996 Nb22 O68 -
- Ge4 K9.996 Nb22 O68 -
1
0.083333
Choisnet, J; Hervieu, M; Groult, D; Raveau, B
Nouvelles phases multiples obtenues par intercroissance des reseaux "M~6~X~4~O~26~" et "M~8~O~21~": les oxydes K~10~ (M~8~ O~21~)~2~ * M~6~ X~4~ O~26~ (M=Nb,Ta)(X=Ge,Si)
Materials Research Bulletin
1,977
12
621
627
10.1016/0025-5408(77)90071-X
null
0.089
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J; Hervieu, M; Groult, D; Raveau, B Nouvelles phases multiples obtenues par intercroissance des reseaux "M~6~X~4~O~26~" et "M~8~O~21~": les oxydes K~10~ (M~8~ O~21~)~2~ * M~6~ X~4~ O~26~ (M=Nb,Ta)(X=Ge,Si) Materials Research Bulletin 12 (1977) 621-627
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001276.cif $ #-------------------------------------------------------------------...
1,001,277
8.966
0.003
8.966
0.003
11.857
0.005
90
null
90
null
120
null
825.5
null
null
null
null
null
null
null
null
null
4
P 63/m c m
-P 6c 2
193
TRIBARIUM TETRATITANIUM TETRAANTIMONY(V) OXIDE
- Ba3 O21 Sb4 Ti4 -
- Ba3 O21 Sb3.9998 Ti4.0002 -
- Ba6 O42 Sb7.9996 Ti8.0004 -
2
0.083333
Saurel, C; Groult, D; Raveau, B
Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~
Materials Research Bulletin
1,977
12
629
635
10.1016/0025-5408(77)90072-1
null
0.21
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Saurel, C; Groult, D; Raveau, B Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~ Materials Research Bulletin 12 (1977) 629-635
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001277.cif $ #-------------------------------------------------------------------...
1,001,278
8.992
null
8.992
null
11.605
null
90
null
90
null
120
null
812.6
null
null
null
null
null
null
null
null
null
4
P 63/m c m
-P 6c 2
193
TRISTRONTIUM TETRATITANIUM TETRANIOBIUM OXIDE
- Nb4 O21 Sr3 Ti4 -
- Nb4 O21 Sr3 Ti4 -
- Nb8 O42 Sr6 Ti8 -
2
0.083333
Saurel, C; Groult, D; Raveau, B
Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~
Materials Research Bulletin
1,977
12
629
635
10.1016/0025-5408(77)90072-1
null
0.05
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Saurel, C; Groult, D; Raveau, B Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~ Materials Research Bulletin 12 (1977) 629-635
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001278.cif $ #-------------------------------------------------------------------...
1,001,279
9.008
null
9.008
null
11.629
null
90
null
90
null
120
null
817.2
null
null
null
null
null
null
null
null
null
4
P 63/m c m
-P 6c 2
193
TRISTRONTIUM TETRATITANIUM TETRATANTALUM OXIDE
- O21 Sr3 Ta4 Ti4 -
- O21 Sr3 Ta3.9998 Ti4.0002 -
- O42 Sr6 Ta7.9996 Ti8.0004 -
2
0.083333
Saurel, C; Groult, D; Raveau, B
Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~
Materials Research Bulletin
1,977
12
629
635
10.1016/0025-5408(77)90072-1
null
0.05
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Saurel, C; Groult, D; Raveau, B Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~ Materials Research Bulletin 12 (1977) 629-635
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001279.cif $ #-------------------------------------------------------------------...
1,001,280
6.444
0.004
3.801
0.001
18.86
0.01
90
null
90
null
90
null
462
null
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
THALLIUM TANTALUM TITANIUM OXIDE
- O5 Ta Ti Tl -
- O5 Ta Ti Tl -
- O20 Ta4 Ti4 Tl4 -
4
0.5
Rebbah, A; Desgardin, G; Raveau, B
Les oxydes A Ti M O~5~: echangeures cationiques
Materials Research Bulletin
1,979
14
1125
1131
10.1016/0025-5408(79)90206-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rebbah, A; Desgardin, G; Raveau, B Les oxydes A Ti M O~5~: echangeures cationiques Materials Research Bulletin 14 (1979) 1125-1131
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001280.cif $ #-------------------------------------------------------------------...
1,001,281
9.072
0.004
9.072
0.004
11.67
0.008
90
null
90
null
120
null
831.8
null
null
null
null
null
null
null
null
null
5
P 63/m c m
-P 6c 2
193
LITHIUM TRIBARIUM TRINIOBIUM PENTATITANIUM OXIDE
- Ba3 Li Nb3 O21 Ti5 -
- Ba3 Li Nb3 O21 Ti5 -
- Ba6 Li2 Nb6 O42 Ti10 -
2
0.083333
Mercey, C; Groult, D; Raveau, B
Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~
Materials Research Bulletin
1,978
13
797
804
10.1016/0025-5408(78)90042-9
null
0.064
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercey, C; Groult, D; Raveau, B Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~ Materials Research Bulletin 13 (1978) 797-804
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001281.cif $ #-------------------------------------------------------------------...
1,001,282
9.072
0.004
9.072
0.004
11.67
0.008
90
null
90
null
120
null
831.8
null
null
null
null
null
null
null
null
null
5
P 63/m c m
-P 6c 2
193
LITHIUM TRIBARIUM TRINIOBIUM PENTATITANIUM OXIDE
- Ba3 Li Nb3 O21 Ti5 -
- Ba3 Li Nb3 O21 Ti5 -
- Ba6 Li2 Nb6 O42 Ti10 -
2
0.083333
Mercey, C; Groult, D; Raveau, B
Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~
Materials Research Bulletin
1,978
13
797
804
10.1016/0025-5408(78)90042-9
null
0.078
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercey, C; Groult, D; Raveau, B Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~ Materials Research Bulletin 13 (1978) 797-804
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001282.cif $ #-------------------------------------------------------------------...
7,151,826
15.4487
0.0014
44.175
0.004
21.6774
0.0019
90
null
96.234
0.002
90
null
14,706
2
240
2
240
2
null
null
null
null
synthesis
4
P 1 21 1
P 2yb
4
Boc-(Leu-Leu-Acp)3-OMe
- C60.5 H109.5 N9 O13.75 -
- C60.5 H109.5 N9 O13.75 -
- C484 H876 N72 O110 -
8
4
Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.
Organic & biomolecular chemistry
2,011
9
9
3303
3312
10.1039/c0ob01146k
0.71073
MoKα
0.1191
0.0962
null
null
0.2635
0.2857
null
null
null
null
null
1.096
null
null
has coordinates,has disorder
Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer. Organic & biomolecular chemistry 9(9) (2011) 3303-...
180,304
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 15:32:43 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180304 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151826.cif $ #-------------------------------------------------------------------...
1,001,283
9.062
0.004
9.062
0.004
11.679
0.008
90
null
90
null
120
null
830.6
null
null
null
null
null
null
null
null
null
5
P 63/m c m
-P 6c 2
193
LITHIUM TRIBARIUM TRITANTALUM PENTATITANIUM OXIDE
- Ba3 Li O21 Ta3 Ti5 -
- Ba3 Li O21 Ta3.0002 Ti4.9998 -
- Ba6 Li2 O42 Ta6.0004 Ti9.9996 -
2
0.083333
Mercey, C; Groult, D; Raveau, B
Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~
Materials Research Bulletin
1,978
13
797
804
10.1016/0025-5408(78)90042-9
null
0.061
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercey, C; Groult, D; Raveau, B Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~ Materials Research Bulletin 13 (1978) 797-804
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001283.cif $ #-------------------------------------------------------------------...
1,001,284
8.978
0.004
8.978
0.004
11.815
0.008
90
null
90
null
120
null
824.8
null
null
null
null
null
null
null
null
null
5
P 63/m c m
-P 6c 2
193
LITHIUM TRIBARIUM TRIANTIMONY(V) PENTATITANIUM OXIDE
- Ba3 Li O21 Sb3 Ti5 -
- Ba3 Li O21 Sb3 Ti5 -
- Ba6 Li2 O42 Sb6 Ti10 -
2
0.083333
Mercey, C; Groult, D; Raveau, B
Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~
Materials Research Bulletin
1,978
13
797
804
10.1016/0025-5408(78)90042-9
null
0.078
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercey, C; Groult, D; Raveau, B Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~ Materials Research Bulletin 13 (1978) 797-804
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001284.cif $ #-------------------------------------------------------------------...
1,001,285
15.183
null
3.783
null
9.143
null
90
null
98.7
null
90
null
519.1
null
null
null
null
null
null
null
null
null
4
C 1 2/m 1
-C 2y
12
SODIUM BARIUM TITANIUM OXIDE (1.7/.5/5.9/13)
- Ba0.45 Na1.7 O13 Ti5.85 -
- Ba0.452 Na1.7 O13 Ti5.85 -
- Ba0.904 Na3.4 O26 Ti11.7 -
2
0.25
Hervieu, M; Germain, P; Desgardin, G; Raveau, B
Non-stoichiometric titanates ^ ^(a2-2x)(ba3x)(ti6-x) o13 ^ ^with a tunnel structure
Materials Research Bulletin
1,979
14
267
272
10.1016/0025-5408(79)90129-6
null
0.085
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hervieu, M; Germain, P; Desgardin, G; Raveau, B Non-stoichiometric titanates ^ ^(a2-2x)(ba3x)(ti6-x) o13 ^ ^with a tunnel structure Materials Research Bulletin 14 (1979) 267-272
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001285.cif $ #-------------------------------------------------------------------...
1,001,286
9.844
0.005
17.752
0.007
4.095
0.002
90
null
90
null
90
null
715.6
null
null
null
null
null
null
null
null
null
4
P b a m
-P 2 2ab
55
COPPER(I) MERCURY SULFIDE CHLORIDE
- Cl Cu Hg S -
- Cl Cu Hg S -
- Cl8 Cu8 Hg8 S8 -
8
1
Guillo, M; Mercey, B; Deschanvres, G
Systemes Cu X (X = Cl, Br) - Hg S. Etude des composes Cu Hg S X (X = Cl, Br)
Materials Research Bulletin
1,979
14
947
954
10.1016/0025-5408(79)90162-4
null
0.09
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Guillo, M; Mercey, B; Deschanvres, G Systemes Cu X (X = Cl, Br) - Hg S. Etude des composes Cu Hg S X (X = Cl, Br) Materials Research Bulletin 14 (1979) 947-954
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001286.cif $ #-------------------------------------------------------------------...
1,001,287
10.045
0.006
18.32
0.001
4.128
0.002
90
null
90
null
90
null
759.7
null
null
null
null
null
null
null
null
null
4
P b a m
-P 2 2ab
55
COPPER(I) MERCURY SULFIDE BROMIDE
- Br Cu Hg S -
- Br Cu Hg S -
- Br8 Cu8 Hg8 S8 -
8
1
Guillo, M; Mercey, B; Deschanvres, G
Systemes Cu X (X = Cl, Br) - Hg S. Etude des composes Cu Hg S X (X = Cl, Br)
Materials Research Bulletin
1,979
14
947
954
10.1016/0025-5408(79)90162-4
null
0.08
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Guillo, M; Mercey, B; Deschanvres, G Systemes Cu X (X = Cl, Br) - Hg S. Etude des composes Cu Hg S X (X = Cl, Br) Materials Research Bulletin 14 (1979) 947-954
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001287.cif $ #-------------------------------------------------------------------...
1,001,288
6.067
0.004
6.067
0.004
9.88
0.008
90
null
90
null
120
null
314.9
null
null
null
null
null
null
null
null
null
4
P 63 m c
P 6c -2c
186
LITHIUM ZINC TIN OXIDE (1.6/1.6/2.8/8)
- Li1.6 O8 Sn2.8 Zn1.6 -
- Li1.6 O8 Sn2.8 Zn1.6 -
- Li3.2 O16 Sn5.6 Zn3.2 -
2
0.166667
Choisnet, J; Raveau, B
Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg
Materials Research Bulletin
1,979
14
1381
1389
10.1016/0025-5408(79)90079-5
null
0.052
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J; Raveau, B Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg Materials Research Bulletin 14 (1979) 1381-1389
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001288.cif $ #-------------------------------------------------------------------...
7,151,825
12.9034
0.0012
14.8243
0.0013
16.6694
0.0015
104.879
0.001
93.483
0.002
112.918
0.001
2,791.8
0.4
200
2
200
2
null
null
null
null
synthesis
4
P 1
P 1
1
Cbz-[Leu-Leu-(S,S)-Ac5cdOM]2-OMe
- C49.5 H83 N6 O14 -
- C49.5 H83 N6 O14 -
- C99 H166 N12 O28 -
2
2
Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.
Organic & biomolecular chemistry
2,011
9
9
3303
3312
10.1039/c0ob01146k
0.71073
MoKα
0.0574
0.0522
null
null
0.1427
0.1493
null
null
null
null
null
1.01
null
null
has coordinates
Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer. Organic & biomolecular chemistry 9(9) (2011) 3303-...
198,633
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $ #$Revision: 198633 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151825.cif $ #-------------------------------------------------------------------...
1,001,289
6.077
0.004
6.077
0.004
9.829
0.008
90
null
90
null
120
null
314.4
null
null
null
null
null
null
null
null
null
4
P 63 m c
P 6c -2c
186
LITHIUM MAGNESIUM TIN OXIDE (1.6/1.6/2.8/8)
- Li1.6 Mg1.6 O8 Sn2.8 -
- Li1.6 Mg1.6 O8 Sn2.8 -
- Li3.2 Mg3.2 O16 Sn5.6 -
2
0.166667
Choisnet, J; Raveau, B
Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg
Materials Research Bulletin
1,979
14
1381
1389
10.1016/0025-5408(79)90079-5
null
0.067
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J; Raveau, B Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg Materials Research Bulletin 14 (1979) 1381-1389
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001289.cif $ #-------------------------------------------------------------------...
1,001,290
6.011
0.004
6.011
0.004
9.815
0.008
90
null
90
null
120
null
307.1
null
null
null
null
null
null
null
null
null
5
P 63 m c
P 6c -2c
186
LITHIUM ZINC TITANIUM TIN OXIDE (1.6/1.6/0.7/2.1/8)
- Li1.6 O8 Sn2.1 Ti0.7 Zn1.6 -
- Li1.6 O8 Sn2.1001 Ti0.6999 Zn1.6 -
- Li3.2 O16 Sn4.2002 Ti1.3998 Zn3.2 -
2
0.166667
Choisnet, J; Raveau, B
Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg
Materials Research Bulletin
1,979
14
1381
1389
10.1016/0025-5408(79)90079-5
null
0.071
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J; Raveau, B Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg Materials Research Bulletin 14 (1979) 1381-1389
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001290.cif $ #-------------------------------------------------------------------...
1,001,291
3.865
0.002
3.865
0.002
19.887
0.004
90
null
90
null
90
null
297.1
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
DILANTHANUM STRONTIUM DICOPPER HEXAOXIDE
- Cu2 La2 O6 Sr -
- Cu2 La2 O6 Sr -
- Cu4 La4 O12 Sr2 -
2
0.0625
Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B
Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR)
Materials Research Bulletin
1,980
15
891
897
10.1016/0025-5408(80)90212-3
null
0.026
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR) Materials Research Bulletin 15 (1980) 891-897
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001291.cif $ #-------------------------------------------------------------------...
1,001,292
3.863
0.002
3.863
0.002
19.963
0.004
90
null
90
null
90
null
297.9
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
LANTHANUM STRONTIUM COPPER OXIDE (1.9/1.1/2/5.95)
- Cu2 La1.9 O5.95 Sr1.1 -
- Cu2 La1.92 O5.96 Sr1.08 -
- Cu4 La3.84 O11.92 Sr2.16 -
2
0.0625
Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B
Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR)
Materials Research Bulletin
1,980
15
891
897
10.1016/0025-5408(80)90212-3
null
0.047
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR) Materials Research Bulletin 15 (1980) 891-897
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001292.cif $ #-------------------------------------------------------------------...
1,001,293
3.825
0.002
3.825
0.002
19.404
0.004
90
null
90
null
90
null
283.9
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
LANTHANUM CALCIUM COPPER OXIDE (1.9/1.1/2/5.95)
- Ca1.1 Cu2 La1.9 O5.95 -
- Ca1.1 Cu2 La1.9 O5.95 -
- Ca2.2 Cu4 La3.8 O11.9 -
2
0.0625
Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B
Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR)
Materials Research Bulletin
1,980
15
891
897
10.1016/0025-5408(80)90212-3
null
0.061
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR) Materials Research Bulletin 15 (1980) 891-897
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001293.cif $ #-------------------------------------------------------------------...
7,151,824
11.5605
0.0012
45.42
0.005
15.286
0.0016
90
null
95.515
0.002
90
null
7,989.2
1.5
100
2
100
2
null
null
null
null
synthesis
4
P 1 21 1
P 2yb
4
Boc-(Leu-Leu-RR)3-OMe
Boc-(Leu-Leu-RR)3-OMe
- C133 H248 N18 O42 -
- C133 H248 N18 O42 -
- C266 H496 N36 O84 -
2
1
Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.
Organic & biomolecular chemistry
2,011
9
9
3303
3312
10.1039/c0ob01146k
0.71073
MoKα
0.097
0.0859
null
null
0.237
0.2503
null
null
null
null
null
1.096
null
null
has coordinates
Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer. Organic & biomolecular chemistry 9(9) (2011) 3303-...
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151824.cif $ #-------------------------------------------------------------------...
1,001,294
8.286
0.001
9.408
0.002
7.987
0.002
90
null
101.3
0.2
90
null
610.6
null
null
null
null
null
null
null
null
null
3
C 1 c 1
C -2yc
9
DICADMIUM TRIARSENIDE BROMIDE
- As3 Br Cd2 -
- As3 Br Cd2 -
- As12 Br4 Cd8 -
4
1
Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A
Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide
Materials Research Bulletin
1,981
16
525
533
10.1016/0025-5408(81)90118-5
null
0.088
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide Materials Research Bulletin 16 (1981) 525-533
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001294.cif $ #-------------------------------------------------------------------...
1,001,295
8.243
0.001
9.334
0.002
7.516
0.002
90
null
99.8
0.2
90
null
569.8
null
null
null
null
null
null
null
null
null
3
C 1 c 1
C -2yc
9
DICADMIUM TRIPHOSPHIDE IODIDE
- Cd2 I P3 -
- Cd2 I P3 -
- Cd8 I4 P12 -
4
1
Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A
Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide
Materials Research Bulletin
1,981
16
525
533
10.1016/0025-5408(81)90118-5
null
0.084
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide Materials Research Bulletin 16 (1981) 525-533
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001295.cif $ #-------------------------------------------------------------------...
1,001,296
8.077
0.001
9.088
0.002
7.534
0.003
90
null
100.3
0.2
90
null
544.1
null
null
null
null
null
null
null
null
null
3
C 1 c 1
C -2yc
9
DICADMIUM TRIPHOSPHIDE BROMIDE
- Br Cd2 P3 -
- Br Cd2 P3 -
- Br4 Cd8 P12 -
4
1
Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A
Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide
Materials Research Bulletin
1,981
16
525
533
10.1016/0025-5408(81)90118-5
null
0.08
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide Materials Research Bulletin 16 (1981) 525-533
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001296.cif $ #-------------------------------------------------------------------...
1,001,297
7.969
0.001
8.984
0.002
7.554
0.002
90
null
100.8
0.1
90
null
531.2
null
null
null
null
null
null
null
null
null
3
C 1 c 1
C -2yc
9
DICADMIUM TRIPHOSPHIDE CHLORIDE
- Cd2 Cl P3 -
- Cd2 Cl P3 -
- Cd8 Cl4 P12 -
4
1
Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A
Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide
Materials Research Bulletin
1,981
16
525
533
10.1016/0025-5408(81)90118-5
null
0.088
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide Materials Research Bulletin 16 (1981) 525-533
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001297.cif $ #-------------------------------------------------------------------...
1,001,298
9.086
null
9.086
null
12.054
null
90
null
90
null
120
null
861.8
null
null
null
null
null
null
null
null
null
4
P 63/m c m
-P 6c 2
193
TRIPOTASSIUM HEPTATANTALUM TITANIUM OXIDE
- K3 O21 Ta7 Ti -
- K3 O21 Ta6.9998 Ti1.0002 -
- K6 O42 Ta13.9996 Ti2.0004 -
2
0.083333
Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A
Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages
Revue de Chimie Minerale
1,977
14
1
10
null
0.068
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages Revue de Chimie Minerale 14 (1977) 1-10
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001298.cif $ #-------------------------------------------------------------------...
1,001,299
9.12
null
9.12
null
12.086
null
90
null
90
null
120
null
870.6
null
null
null
null
null
null
null
null
null
4
P 63/m c m
-P 6c 2
193
POTASSIUM TANTALUM IRON OXIDE (3/7.5/0.5/21)
- Fe0.5 K3 O21 Ta7.5 -
- Fe0.4998 K3 O21 Ta7.5002 -
- Fe0.9996 K6 O42 Ta15.0004 -
2
0.083333
Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A
Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages
Revue de Chimie Minerale
1,977
14
1
10
null
0.047
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages Revue de Chimie Minerale 14 (1977) 1-10
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/12/1001299.cif $ #-------------------------------------------------------------------...
7,151,823
10.4109
0.0005
11.0028
0.0004
11.3302
0.0005
106.305
0.002
94.754
0.002
103.828
0.002
1,193.8
0.09
302
null
302
null
null
null
null
null
4
P 1
P 1
1
Cbz-(Leu-Leu-Aib)2-OMe
- C41 H68 N6 O9 -
- C41 H68 N6 O9 -
- C41 H68 N6 O9 -
1
1
Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.
Organic & biomolecular chemistry
2,011
9
9
3303
3312
10.1039/c0ob01146k
0.71073
MoKα
0.0534
0.0434
null
null
0.087
0.0905
null
null
null
null
null
1.576
null
null
has coordinates
Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer. Organic & biomolecular chemistry 9(9) (2011) 3303-...
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151823.cif $ #-------------------------------------------------------------------...
1,001,300
9.024
null
9.024
null
11.79
null
90
null
90
null
120
null
831.5
null
null
null
null
null
null
null
null
null
4
P 63/m c m
-P 6c 2
193
TRIBARIUM TETRATANTALUM TETRATITANIUM OXIDE
- Ba3 O21 Ta4 Ti4 -
- Ba3 O21 Ta3.9998 Ti4.0002 -
- Ba6 O42 Ta7.9996 Ti8.0004 -
2
0.083333
Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A
Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages
Revue de Chimie Minerale
1,977
14
1
10
null
0.073
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages Revue de Chimie Minerale 14 (1977) 1-10
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001300.cif $ #-------------------------------------------------------------------...
1,001,301
9.116
null
9.116
null
11.93
null
90
null
90
null
120
null
858.6
null
null
null
null
null
null
null
null
null
4
P 63/m c m
-P 6c 2
193
BARIUM TANTALUM IRON OXIDE (3/6/2/21)
- Ba3 Fe2 O21 Ta6 -
- Ba3 Fe1.9998 O21 Ta6.0002 -
- Ba6 Fe3.9996 O42 Ta12.0004 -
2
0.083333
Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A
Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages
Revue de Chimie Minerale
1,977
14
1
10
null
0.064
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages Revue de Chimie Minerale 14 (1977) 1-10
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001301.cif $ #-------------------------------------------------------------------...
1,001,302
9.188
null
9.188
null
8.123
null
90
null
90
null
120
null
593.9
null
null
null
null
null
null
null
null
null
4
P -6 2 m
P -6 -2
189
Hexapotassium hexaniobium tetragermanium oxide
- Ge4 K6 Nb6 O26 -
- Ge4 K6 Nb6 O26 -
- Ge4 K6 Nb6 O26 -
1
0.083333
Choisnet, J; Nguyen, N; Raveau, B
Etude du comportement du germanium dans les structures a tunnels de section pentagonale: Les silicogermanates K~6~ Nb~6~ Ge~x~ Si~4-x~ O~26~
Revue de Chimie Minerale
1,977
14
311
317
null
0.088
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J; Nguyen, N; Raveau, B Etude du comportement du germanium dans les structures a tunnels de section pentagonale: Les silicogermanates K~6~ Nb~6~ Ge~x~ Si~4-x~ O~26~ Revue de Chimie Minerale 14 (1977) 311-317
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001302.cif $ #-------------------------------------------------------------------...
1,001,303
9.02
0.004
9.02
0.004
11.796
0.008
90
null
90
null
120
null
831.1
null
null
null
null
null
null
null
null
null
4
P 63/m c m
-P 6c 2
193
BARIUM NIOBIUM TITANIUM OXIDE (3/3.2/5/21)
- Ba3 Nb3.2 O21 Ti5 -
- Ba3 Nb3.2 O21 Ti5 -
- Ba6 Nb6.4 O42 Ti10 -
2
0.083333
Mercey, C; Groult, D; Raveau, B
Insertion du niobium et du tantale dans les oxydes de type A~3~ M~8~ O~21~. Les composes Ba~3~ M~4-4x~ Ti~4+5x~ O~21~ (0 <= x <= 0.3)
Revue de Chimie Minerale
1,979
16
165
173
null
0.071
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercey, C; Groult, D; Raveau, B Insertion du niobium et du tantale dans les oxydes de type A~3~ M~8~ O~21~. Les composes Ba~3~ M~4-4x~ Ti~4+5x~ O~21~ (0 <= x <= 0.3) Revue de Chimie Minerale 16 (1979) 165-173
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001303.cif $ #-------------------------------------------------------------------...
1,001,304
9.017
0.004
9.017
0.004
11.82
0.008
90
null
90
null
120
null
832.3
null
null
null
null
null
null
null
null
null
4
P 63/m c m
-P 6c 2
193
BARIUM TANTALUM TITANIUM OXIDE (3/3.2/5/21)
- Ba3 O21 Ta3.2 Ti5 -
- Ba3 O21 Ta3.2 Ti5 -
- Ba6 O42 Ta6.4 Ti10 -
2
0.083333
Mercey, C; Groult, D; Raveau, B
Insertion du niobium et du tantale dans les oxydes de type A~3~ M~8~ O~21~. Les composes Ba~3~ M~4-4x~ Ti~4+5x~ O~21~ (0 <= x <= 0.3)
Revue de Chimie Minerale
1,979
16
165
173
null
0.053
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercey, C; Groult, D; Raveau, B Insertion du niobium et du tantale dans les oxydes de type A~3~ M~8~ O~21~. Les composes Ba~3~ M~4-4x~ Ti~4+5x~ O~21~ (0 <= x <= 0.3) Revue de Chimie Minerale 16 (1979) 165-173
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001304.cif $ #-------------------------------------------------------------------...
7,151,822
6.0368
0.0012
13.398
0.003
29.789
0.006
90
null
90
null
90
null
2,409.4
0.9
293
2
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C28 H29 N O3 -
- C28 H29 N O3 -
- C112 H116 N4 O12 -
4
1
Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun
Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.
Organic & biomolecular chemistry
2,011
9
8
2868
2877
10.1039/c0ob01143f
0.71073
MoKα
0.0698
0.0436
null
null
0.1095
0.1307
null
null
null
null
null
1.01
null
null
has coordinates
Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications. Organic & biomolecular chemistry 9(8) (2011) 2868-2877
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151822.cif $ #-------------------------------------------------------------------...
1,001,305
6.407
null
3.797
null
14.918
null
90
null
90
null
90
null
362.9
null
null
null
null
null
null
null
null
null
4
P n m m :2
-P 2c 2bc
59
RUBIDIUM TRITITANIUM NIOBIUM OXIDE
- Nb O9 Rb Ti3 -
- Nb O9 Rb Ti3 -
- Nb2 O18 Rb2 Ti6 -
2
0.25
Hervieu, M; Desgardin, G; Raveau, B
Titanoniobates et titanotantalates avec une structure a tunnels: les oxydes A Ti~3~ M O~9~ et (A~2~ Ti~6~ O~13~)~n~ A Ti~3~ M O~9~
Annales de Chimie (Paris) (Vol=Year)
1,979
1,979
339
346
null
0.092
null
null
null
null
null
null
null
null
null
null
null
1,001,201
null
has coordinates
Hervieu, M; Desgardin, G; Raveau, B Titanoniobates et titanotantalates avec une structure a tunnels: les oxydes A Ti~3~ M O~9~ et (A~2~ Ti~6~ O~13~)~n~ A Ti~3~ M O~9~ Annales de Chimie (Paris) (Vol=Year) 1979 (1979) 339-346
287,519
2023-11-10
19:29:20
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001305.cif $ #-------------------------------------------------------------------...
1,001,306
9.317
0.003
5.752
0.001
5.105
0.001
90
null
90
null
90
null
273.6
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
GERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.02
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001306.cif $ #-------------------------------------------------------------------...
1,001,307
9.315
0.003
5.747
0.001
5.102
0.001
90
null
90
null
90
null
273.1
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
GERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.022
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001307.cif $ #-------------------------------------------------------------------...
1,001,308
9.306
0.003
5.742
0.001
5.097
0.001
90
null
90
null
90
null
272.4
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
GERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.022
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001308.cif $ #-------------------------------------------------------------------...
1,001,309
9.298
0.003
5.736
0.001
5.092
0.001
90
null
90
null
90
null
271.6
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
GERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.022
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001309.cif $ #-------------------------------------------------------------------...
1,001,310
9.287
0.003
5.731
0.002
5.089
0.001
90
null
90
null
90
null
270.9
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
GERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.022
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001310.cif $ #-------------------------------------------------------------------...
7,151,821
14.3688
0.0008
7.7163
0.0004
18.1469
0.0011
90
null
111.567
0.002
90
null
1,871.15
0.18
293
2
293
2
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C21 H22 O4 -
- C21 H22 O4 -
- C84 H88 O16 -
4
1
Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun
Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.
Organic & biomolecular chemistry
2,011
9
8
2868
2877
10.1039/c0ob01143f
0.71073
MoKα
0.1399
0.0521
null
null
0.1209
0.1338
null
null
null
null
null
0.673
null
null
has coordinates
Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications. Organic & biomolecular chemistry 9(8) (2011) 2868-2877
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151821.cif $ #-------------------------------------------------------------------...
1,001,311
9.274
0.003
5.727
0.002
5.085
0.001
90
null
90
null
90
null
270.1
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
GERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.024
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001311.cif $ #-------------------------------------------------------------------...
1,001,312
9.266
0.003
5.72
0.002
5.08
0.001
90
null
90
null
90
null
269.2
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
GERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.025
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001312.cif $ #-------------------------------------------------------------------...
1,001,313
9.259
0.004
5.714
0.002
5.075
0.001
90
null
90
null
90
null
268.5
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
GERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.025
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001313.cif $ #-------------------------------------------------------------------...
1,001,314
9.261
0.004
5.707
0.002
5.074
0.001
90
null
90
null
90
null
268.2
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
DIGERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.025
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001314.cif $ #-------------------------------------------------------------------...
1,001,315
9.254
0.004
5.699
0.002
5.073
0.002
90
null
90
null
90
null
267.5
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
DIGERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.026
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001315.cif $ #-------------------------------------------------------------------...
1,001,316
9.247
0.004
5.689
0.002
5.072
0.002
90
null
90
null
90
null
266.8
null
null
null
null
null
null
null
null
null
3
C m c 21
C 2c -2
36
DIGERMANIUM DINITRIDE OXIDE
- Ge2 N2 O -
- Ge2 N2 O -
- Ge8 N8 O4 -
4
0.5
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C
Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O
Journal of Applied Crystallography
1,979
12
511
516
10.1107/S0021889879013182
null
0.027
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O Journal of Applied Crystallography 12 (1979) 511-516
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001316.cif $ #-------------------------------------------------------------------...
7,151,820
17.683
0.004
10.819
0.002
10.206
0.002
90
null
114.81
0.03
90
null
1,772.3
0.8
293
2
293
2
null
null
null
null
3
C 1 c 1
C -2yc
9
- C21 H22 O3 -
- C21 H22 O3 -
- C84 H88 O12 -
4
1
Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun
Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.
Organic & biomolecular chemistry
2,011
9
8
2868
2877
10.1039/c0ob01143f
0.71073
MoKα
0.0905
0.0698
null
null
0.1715
0.1823
null
null
null
null
null
1.017
null
null
has coordinates
Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications. Organic & biomolecular chemistry 9(8) (2011) 2868-2877
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/18/7151820.cif $ #-------------------------------------------------------------------...
1,001,317
12.25
null
12.25
null
3.83
null
90
null
90
null
90
null
574.7
null
null
null
null
null
null
null
null
null
3
P 4/m b m
-P 4 2ab
127
Tin tungsten oxide (0.3/1/3)
- O3 Sn0.26 W -
- O3 Sn0.26 W -
- O30 Sn2.6 W10 -
10
0.625
Goreaud, M; Labbe, P H; Monfort, Y; Raveau, B
Comportement de Sn(II) dans les bronzes quadratiques de tungstene. Surstructure de Sn~0.30~ W O~3~
Revue de Chimie Minerale
1,980
17
79
87
null
0.076
null
null
null
null
null
null
null
null
null
null
null
1,001,256
null
has coordinates
Goreaud, M; Labbe, P H; Monfort, Y; Raveau, B Comportement de Sn(II) dans les bronzes quadratiques de tungstene. Surstructure de Sn~0.30~ W O~3~ Revue de Chimie Minerale 17 (1980) 79-87
287,519
2023-11-10
19:29:20
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/13/1001317.cif $ #-------------------------------------------------------------------...