Crystallography Open Database

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2002559 CIFAl1.5 O5 Sc0.5 Sr2P a -37.9078; 7.9078; 7.9078
90; 90; 90
494.5Rath, M; Mueller-Buschbaum, Hk
Ein Beitrag zur Kristallstruktur von Ba2 Sc Al O5 und Sr2 Sc0.5 Al1.5 O5
Journal of Alloys Compd., 1992, 189, 127-130
2002983 CIF
Paper
O7 V2 ZrP a -326.296; 26.296; 26.296
90; 90; 90
18183.1Evans, J.S.O.; Hanson, J.C.; Sleight, A.W.
Room-Temperature Superstructure of ZrV~2~O~7~
Acta Crystallographica Section B, 1998, 54, 705-713
2003376 CIF
Paper
C18 H24 B2 F8 RuP a -312.636; 12.636; 12.636
90; 90; 90
2017.6Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S.
The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K
Acta Crystallographica Section C, 1995, 51, 582-584
2004351 CIF
Paper
C14 H37 Co P4P a -316.216; 16.216; 16.216
90; 90; 90
4264.1Stringer, G.; Taylor, N. J.; Marder, T. B.
Ethynyltetrakis(trimethylphosphine)cobalt(I), [Co(CCH){P(CH~3~)~3~}~4~]
Acta Crystallographica Section C, 1996, 52, 80-82
2006315 CIF
Paper
Be4 N6 O19P a -314.025; 14.025; 14.025
90; 90; 90
2758.7Haley, Martin J.; Wallwork, Stephen C.; Duffin, Bryan; Logan, Norman; Addison, C. Clifford
Hexa-μ-nitrato-μ~4~-oxo-tetraberyllium
Acta Crystallographica Section C, 1997, 53, 829-830
2007414 CIFC O2P a -35.4942; 5.4942; 5.4942
90; 90; 90
165.85Downs, R. T.; Somayazulu, M. S.
Carbon dioxide at 1.0 GPa
Acta Crystallographica, Section C: Crystal Structure Communications, 1998, 54, 897-898
2007667 CIF
HKL
Paper
N2 O6 SrP a -37.822; 7.822; 7.822
90; 90; 90
478.58El-Bali, Brahim; Bolte, Michael
Sr(NO~3~)~2~ at 173K
Acta Crystallographica Section C, 1998, 54, IUC9800046
2008541 CIF
HKL
Paper
C27 H36 Cl4 Fe2 N6P a -318.793; 18.793; 18.793
90; 90; 90
6637.3Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.
Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^
Acta Crystallographica Section C, 1999, 55, 886-889
2008723 CIF
Paper
C33 H33 N3 O3P a -317.862; 17.862; 17.862
90; 90; 90
5698.9Herbstein, Frank H.
<i>N</i>,<i>N</i>',<i>N</i>''-Trimethyl-<i>N</i>,<i>N</i>',<i>N</i>''-tris(3-methylphenyl)-1,3,5-benzenetricarboxamide is cubic (space group <i>Pa</i>øverline{3}) and not orthorhombic (space group <i>Pbca</i>). Erratum
Acta Crystallographica Section C, 1999, 55, 1196
2009711 CIF
Paper
C18 H15 As I2P a -315.448; 15.448; 15.448
90; 90; 90
3686.5Abbas, S.; Godfrey, S.M.; McAuliffe, C.A.; Pritchard, R.G.
A cubic modification of (triphenylarsine)diiodine
Acta Crystallographica Section C, 1994, 50, 717-719
2009888 CIF
Paper
C85 H78 Cl3 F9 O9 P6 Rh2 S3P a -326.43; 26.43; 26.43
90; 90; 90
18463Bachechi, Fiorella
A tri-μ-chloro dirhodium (III) complex [Rh~2~(μ-Cl)~3~(triphos)~2~](CF~3~SO~3~)~3~ [triphos = CH~3~C(CH~2~PPh~2~)~3~]
Acta Crystallographica Section C, 1994, 50, 1069-1072
2010226 CIF
Paper
C H N3 O6P a -310.358; 10.358; 10.358
90; 90; 90
1111.29Schodel, H.; Dienelt, R.; Bock, H.
Trinitromethane
Acta Crystallographica Section C, 1994, 50, 1790-1792
2010607 CIF
HKL
Paper
C16 H32 Cd3 N12 O S6P a -315.0766; 15.0766; 15.0766
90; 90; 90
3427Mostafa, Golam; Mondal, Arunendu; Laskar, Inamur R.; Welch, A. J.; Chaudhuri, N. Ray
A three-dimensional network of cadmium
Acta Crystallographica Section C, 2000, 56, 146-148
2011079 CIF
HKL
Paper
Cr H24 O20 Rb S2P a -312.296; 12.296; 12.296
90; 90; 90
1859.1Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.
The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K
Acta Crystallographica Section C, 2000, 56, 731-734
2011080 CIF
HKL
Paper
Cr H24 O20 Rb S2P a -312.241; 12.241; 12.241
90; 90; 90
1834.2Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.
The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K
Acta Crystallographica Section C, 2000, 56, 731-734
2011081 CIF
HKL
Paper
Cr Cs H24 O20 Se2P a -312.585; 12.585; 12.585
90; 90; 90
1993.2Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.
The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K
Acta Crystallographica Section C, 2000, 56, 731-734
2011082 CIF
HKL
Paper
Cr Cs H24 O20 Se2P a -312.522; 12.522; 12.522
90; 90; 90
1963.5Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.
The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K
Acta Crystallographica Section C, 2000, 56, 731-734
2011792 CIF
Paper
O7 P2 TiP a -323.534; 23.534; 23.534
90; 90; 90
13034.3Norberg, Stefan T.; Svennson, Göran; Albertsson, Jörgen
A TiP~2~O~7~ superstructure
Acta Crystallographica Section C, 2001, 57, 225-227
2011815 CIF
HKL
Paper
C12 H27 P SeP a -314.4773; 14.4773; 14.4773
90; 90; 90
3034.3Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred
Tris(<i>tert</i>-butyl)phosphine selenide, the missing link in tris(<i>tert</i>-butyl)phosphine chalcogenide structures ^<i>t^</i>Bu~3~P=<i>X</i> (<i>X</i> = O, S, Se, Te)
Acta Crystallographica Section C, 2001, 57, 323-324
2012064 CIF
HKL
Paper
C12 H27 P SP a -314.232; 14.232; 14.232
90; 90; 90
2883Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred
Tris(<i>tert</i>-butyl)phosphine sulfide, a phosphine sulfide with three bulky substituents
Acta Crystallographica Section C, 2001, 57, 835-837
2014623 CIF
HKL
Paper
C72 H66 Cl3 Fe N6 S6P a -318.8566; 18.8566; 18.8566
90; 90; 90
6704.9Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.
The effect of hydrogen-bonding anions on the structure of metal–sulfimide complexes
Acta Crystallographica Section C, 2005, 61, m34-m39
2015225 CIF
Paper
C20 H22 B2 Cl6 Mg N12P a -314.3475; 14.3475; 14.3475
90; 90; 90
2953.4María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez
Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates
Acta Crystallographica Section C, 2006, 62, m132-m135
2015226 CIF
Paper
C20 H22 B2 Ca Cl6 N12P a -314.6697; 14.6697; 14.6697
90; 90; 90
3156.9María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez
Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates
Acta Crystallographica Section C, 2006, 62, m132-m135
2015402 CIF
HKL
Paper
As F12 IP a -39.409; 9.409; 9.409
90; 90; 90
833Evgeny Goreshnik; Zoran Mazej
Hexafluoroiodium(VII) hexafluoroarsenate
Acta Crystallographica Section C, 2006, 62, i59-i60
2017322 CIF
Paper
O7.9 V0.2 W1.8 ZrP a -39.11787; 9.11787; 9.11787
90; 90; 90
758.019Chen, Xi; Tao, Juzhou; Ma, Hui; Zhao, Xinhua
Disordered structure of ZrW~1.8~V~0.2~O~7.9~ from a combined X-ray and neutron powder diffraction study at 530 K
Acta Crystallographica Section C, 2009, 65, i74-i76
2017431 CIF
HKL
Paper
B12 H26 K2 Ni10 O72 P12P a -313.467; 13.467; 13.467
90; 90; 90
2442.4Yakubovich, Olga V.; Steele, Ian M.; Massa, Werner; Dimitrova, Olga V.
12-Membered borophosphate rings in KNi~5~[P~6~B~6~O~23~(OH)~13~]
Acta Crystallographica Section C, 2009, 65, i94-i98
2018267 CIF
HKL
Paper
C6 H21 B6 Co N3 O13P a -315.2796; 15.2796; 15.2796
90; 90; 90
3567.3Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao
Two new transition metal inorganic–organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue
Acta Crystallographica Section C, 2011, 67, m338-m341
2018268 CIF
HKL
Paper
C6 H21 B6 N3 Ni O13P a -315.2217; 15.2217; 15.2217
90; 90; 90
3526.9Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao
Two new transition metal inorganic–organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue
Acta Crystallographica Section C, 2011, 67, m338-m341
2020196 CIFCa1.15 Ge3 Na3.7 O9P a -315.626; 15.626; 15.626
90; 90; 90
3815.43Nishi, F.; Takeuchi, Y.
Cubic structure of sodium calcium germanate Na3.7 Ca1.15 Ge3 O9
Acta Crystallographica C (39,1983-), 1988, 44, 1867-1869
2020626 CIF
Paper
C66 H79 B Hf N6 S3P a -323.1441; 23.1441; 23.1441
90; 90; 90
12397.1Rong, Yi; Sambade, David; Parkin, Gerard
Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium
Acta Crystallographica Section C, 2016, 72, 806-812
2020790 CIF
HKL
Paper
C3 H18 F6 N9 VP a -314.095; 14.095; 14.095
90; 90; 90
2800.2Black, Cameron; Lightfoot, Philip
Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite
Acta Crystallographica Section C, 2017, 73, 244-246
2020879 CIF
HKL
Paper
C36 H75 Cl2 Fe7 N6 O26P a -322.0884; 22.0884; 22.0884
90; 90; 90
10776.9van der Horn, Jitschaq A.; Lutz, Martin
Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe~7~(tea)~3~(tea-H)~3~](ClO~4~)~2~ (tea-H~3~ is triethanolamine)
Acta Crystallographica Section C, 2018, 74
2020897 CIFN2 O6 PbP a -37.8586; 7.8586; 7.8586
90; 90; 90
485.33Nowotny, H.; Heger, G.
Structure refinement of lead nitrate
Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 133-135
2022864 CIF
HKL
Paper
N2 SiP a -34.1205; 4.1205; 4.1205
90; 90; 90
69.96Jurzick, Pascal L.; Krach, Georg; Brüning, Lukas; Schnick, Wolfgang; Bykov, Maxim
Synthesis and crystal structure of silicon pernitride SiN2 at 140 GPa
Acta Crystallographica Section E Crystallographic Communications, 2023, 79
2100840 CIF
Paper
C2 H2P a -36.094; 6.094; 6.094
90; 90; 90
226.31McMullan, R. K.; Kvick, Å.; Popelier, P.
Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
Acta Crystallographica Section B, 1992, 48, 726-731
2100841 CIF
Paper
C2 H2P a -36.105; 6.105; 6.105
90; 90; 90
227.54McMullan, R. K.; Kvick, Å.; Popelier, P.
Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
Acta Crystallographica Section B, 1992, 48, 726-731
2100842 CIF
Paper
C2 D2P a -36.102; 6.102; 6.102
90; 90; 90
227.2McMullan, R. K.; Kvick, Å.; Popelier, P.
Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
Acta Crystallographica Section B, 1992, 48, 726-731
2102034 CIF
Paper
Al H24 K O20 S2P a -312.135; 12.135; 12.135
90; 90; 90
1786.98Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2102035 CIF
Paper
Al H24 K O20 S2P a -312.164; 12.164; 12.164
90; 90; 90
1799.82Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2102036 CIF
Paper
Al H24 O20 S2 TlP a -312.207; 12.207; 12.207
90; 90; 90
1818.98Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2102037 CIF
Paper
Al H24 O20 S2 TlP a -312.2305; 12.2305; 12.2305
90; 90; 90
1829.5Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2102038 CIF
Paper
Cr H24 K O20 S2P a -312.2133; 12.2133; 12.2133
90; 90; 90
1821.79Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2102039 CIF
Paper
Cr H24 K O20 S2P a -312.2305; 12.2305; 12.2305
90; 90; 90
1829.5Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2102040 CIF
Paper
Ga H24 O20 Rb S2P a -312.2679; 12.2679; 12.2679
90; 90; 90
1846.34Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2102041 CIF
Paper
Ga H24 O20 S2 TlP a -312.2368; 12.2368; 12.2368
90; 90; 90
1832.33Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2104027 CIF
Paper
Ge O2P a -34.3365; 4.3365; 4.3365
90; 90; 90
81.55Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki
Structural refinements of high-pressure phases in germanium dioxide
Acta Crystallographica Section B, 2003, 59, 701-708
2105369 CIFAg4 N2 O6 TeP a -38.173; 8.173; 8.173
90; 90; 90
545.939Schultze-Rhonhof, E.
Die Kristallstruktur von alpha-Tetrasilbertelluriddinitrat
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2837-2840
2105408 CIFB2 Ca O4P a -39.008; 9.008; 9.008
90; 90; 90
730.946Marezio, M.; Dernier, P.D.; Remeika, J.P.
The crystal structure of the high pressure phase, Ca B2 O4 (IV), and polymorphism in Ca B2 O4
Acta Crystallographica B (24,1968-38,1982), 1969, 25, 965-970
2105706 CIF
Paper
Br4 SiP a -311.17701; 11.17701; 11.17701
90; 90; 90
1396.29Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen
SiBr4– prediction and determination of crystal structures
Acta Crystallographica Section B Structural Science, 2009, 65, 342-349
2106623 CIF
Paper
F5 H12 N3 O2 WP a -311.9635; 11.9635; 11.9635
90; 90; 90
1712.28Udovenko, Anatoly; Laptash, Natalia
Crystal structure and phase transition in (NH~4~)~3~WO~2~F~5~: from dynamic to static orientational disorder
Acta Crystallographica Section B, 2015, 71, 478-483

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