Crystallography Open Database

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4002566 CIFCu1.999 Dy Fe1.001 O7.36 Sr2P m m m3.8274; 3.8329; 11.3652
90; 90; 90
166.728Yang, L.T.; Liang, J.K.; Liu, Q.L.; Feng, X.M.; Fan, H.M.; Rao, G.H.; Song, G.B.; Yang, H.F.
Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)
Chemistry of Materials (1,1989-), 2003, 15, 4987-4995
4002567 CIFCu1.999 Fe1.001 Ho O7.4 Sr2P m m m3.8213; 3.8274; 11.3682
90; 90; 90
166.267Yang, L.T.; Liang, J.K.; Song, G.B.; Yang, H.F.; Fan, H.M.; Feng, X.M.; Liu, Q.L.; Rao, G.H.
Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)
Chemistry of Materials (1,1989-), 2003, 15, 4987-4995
4002568 CIFCu1.999 Er Fe1.001 O7.36 Sr2P m m m3.8159; 3.8229; 11.3742
90; 90; 90
165.925Yang, L.T.; Liu, Q.L.; Liang, J.K.; Song, G.B.; Fan, H.M.; Feng, X.M.; Yang, H.F.; Rao, G.H.
Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)
Chemistry of Materials (1,1989-), 2003, 15, 4987-4995
4002569 CIFCu1.999 Fe1.001 O7.42 Sr2 YbP m m m3.8115; 3.818; 11.3856
90; 90; 90
165.687Yang, L.T.; Liang, J.K.; Liu, Q.L.; Feng, X.M.; Fan, H.M.; Yang, H.F.; Song, G.B.; Rao, G.H.
Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)
Chemistry of Materials (1,1989-), 2003, 15, 4987-4995
4002600 CIFBa Co2 Gd O5.389P m m m3.8764; 7.8337; 7.5594
90; 90; 90
229.55Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002601 CIFBa Co2 Gd O5.389P m m m3.8741; 7.8391; 7.5618
90; 90; 90
229.65Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002602 CIFBa Co2 Gd O5.389P m m m3.8767; 7.8392; 7.5627
90; 90; 90
229.83Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002603 CIFBa Co2 Gd O5.389P m m m3.8762; 7.8446; 7.5654
90; 90; 90
230.04Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002604 CIFBa Co2 Gd O5.389P m m m3.8749; 7.8567; 7.5726
90; 90; 90
230.54Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002605 CIFBa Co2 Gd O5.389P m m m3.8739; 7.841; 7.5641
90; 90; 90
229.76Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002606 CIFBa Co2 Gd O5.389P m m m3.8741; 7.838; 7.5621
90; 90; 90
229.62Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002607 CIFBa Co2 Gd O5.389P m m m3.8734; 7.8344; 7.5592
90; 90; 90
229.39Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002608 CIFBa Co2 Gd O5.389P m m m3.8768; 7.8254; 7.5581
90; 90; 90
229.29Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4030869 CIFF9.7 Tl Zn1.65 Zr1.35P m m m3.994; 6.531; 7.698
90; 90; 90
200.8Gaumet, V.; El-Ghozzi, M.; Cousseins, J. C.; Avignant, D.
On the averaged crystal structure of the TlZn(1.5+x)Zr(1.5-x)F(10-2x) (x = 0.15)
European Journal of Solid State and Inorganic Chemistry, 1997, 34, 343-354
4031495 CIFEu0.5 O3 TaP m m m3.8771; 3.8771; 7.796
90; 90; 90
117.189Sirotinkin, V.P.; Sirotinkin, S.P.; Trunov, V.K.
The structure of Eu.33 Ta O3 crystals of two types
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii), 1989, 34, 803-805
4101824 CIFC22 H12 Br N O4 ZnP m m m11.2038; 13.975; 15.848
90; 90; 90
2481.4Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp
Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block
Journal of the American Chemical Society, 2010, 132, 950-952
4101829 CIFC29 H14 Br N2 O6 ZnP m m m10.1617; 16.451; 22.313
90; 90; 90
3730.1Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp
Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block
Journal of the American Chemical Society, 2010, 132, 950-952
4102739 CIF
HKL
Ge0.74 O5.57 Si1.76P m m m25.1611; 12.70129; 11.60014
90; 90; 90
3707.15Mathias Dodin; Jean-Louis Paillaud; Yannnick Lorgouilloux; Philippe Caullet; Erik Elkaïm; Nicolas Bats
A Zeolitic Material with a Three-Dimensional Pore System Formed by Straight 12- and 10-Ring Channels Synthesized with an Imidazolium Derivative as Structure-Directing Agent
Journal of the American Chemical Society, 2010, 132, 10221-10223
4104078 CIFC65 H113 N15 O19 ZnP m m m11.3014; 15.7553; 15.7553
90; 90; 90
2805.3Karen L. Mulfort; Omar K. Farha; Charlotte L. Stern; Amy A. Sarjeant; Joseph T. Hupp
Post-Synthesis Alkoxide Formation Within Metal-Organic Framework Materials: A Strategy for Incorporating Highly Coordinatively Unsaturated Metal Ions
Journal of the American Chemical Society, 2009, 131, 3866-3868
4104808 CIFC8 H8 Fe N6 Ni O2P m m m7.1139; 6.9109; 6.7799
90; 90; 90
333.32Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert
Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material
Journal of the American Chemical Society, 2009, 131, 10998-11009
4104809 CIFC8 H8 Fe N6 Ni O2P m m m7.028; 7.01; 6.725
90; 90; 90
331.3Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert
Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material
Journal of the American Chemical Society, 2009, 131, 10998-11009
4104810 CIFC8 H8 Fe N6 Ni O2P m m m7.2666; 7.2696; 7.2421
90; 90; 90
382.57Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert
Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material
Journal of the American Chemical Society, 2009, 131, 10998-11009
4105955 CIFC192 H278 Al F10 N44 O42 Zn3P m m m16.5843; 16.599; 22.2252
90; 90; 90
6118.2Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp
Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials
Journal of the American Chemical Society, 2011, 133, 5652-5655
4105956 CIFC198 H292 Cl F10 Fe N46 O54 Zn3P m m m16.614; 16.64; 22.194
90; 90; 90
6136Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp
Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials
Journal of the American Chemical Society, 2011, 133, 5652-5655
4105957 CIFC183 H249 F10 Mn N41 O39 Pd Zn2P m m m16.5671; 16.5864; 22.1775
90; 90; 90
6094.1Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp
Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials
Journal of the American Chemical Society, 2011, 133, 5652-5655
4105958 CIFC186 H264 F10 Mn N42 O41 Zn3P m m m16.6121; 16.6202; 22.1631
90; 90; 90
6119.2Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp
Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials
Journal of the American Chemical Society, 2011, 133, 5652-5655
4105959 CIFC174 H236 F10 N38 O37 Zn4P m m m16.598; 16.643; 22.494
90; 90; 90
6213.8Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp
Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials
Journal of the American Chemical Society, 2011, 133, 5652-5655
4113922 CIFBa Fe2 Ho O5P m m m3.932787; 3.918529; 7.56186
90; 90; 90
116.534Patrick M. Woodward; Emmanuelle Suard; Pavel Karen
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Journal of the American Chemical Society, 2003, 125, 8889-8899
4113924 CIFBa Fe2 Ho O5P m m m3.93355; 3.92896; 7.57777
90; 90; 90
117.113Patrick M. Woodward; Emmanuelle Suard; Pavel Karen
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Journal of the American Chemical Society, 2003, 125, 8889-8899
4113932 CIFBa Fe2 Nd O5P m m m3.96584; 3.95339; 7.64046
90; 90; 90
119.791Patrick M. Woodward; Emmanuelle Suard; Pavel Karen
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Journal of the American Chemical Society, 2003, 125, 8889-8899
4113934 CIFBa Fe2 Nd O5P m m m3.969451; 3.958035; 7.64849
90; 90; 90
120.167Patrick M. Woodward; Emmanuelle Suard; Pavel Karen
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Journal of the American Chemical Society, 2003, 125, 8889-8899
4113937 CIFBa Fe2 Nd O5P m m m3.97079; 3.96456; 7.6583
90; 90; 90
120.56Patrick M. Woodward; Emmanuelle Suard; Pavel Karen
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Journal of the American Chemical Society, 2003, 125, 8889-8899
4113939 CIFBa Fe2 Nd O5P m m m3.97431; 3.96949; 7.66813
90; 90; 90
120.972Patrick M. Woodward; Emmanuelle Suard; Pavel Karen
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Journal of the American Chemical Society, 2003, 125, 8889-8899
4120916 CIFC54 H30 Br2 N2 O8 Zn2P m m m10.5916; 16.233; 18.2994
90; 90; 90
3146.3Nicolaas A. Vermeulen; Olga Karagiaridi; Amy A. Sarjeant; Charlotte L. Stern; Joseph T. Hupp; Omar K. Farha; J. Fraser Stoddart
Aromatizing Olefin Metathesis by Ligand Isolation inside a Metal- Organic Framework
Journal of the American Chemical Society, 2013, 135, 14916-14919
4120917 CIFC58 H36 Br2 N2 O8 Zn2P m m m10.2939; 16.4035; 18.242
90; 90; 90
3080.3Nicolaas A. Vermeulen; Olga Karagiaridi; Amy A. Sarjeant; Charlotte L. Stern; Joseph T. Hupp; Omar K. Farha; J. Fraser Stoddart
Aromatizing Olefin Metathesis by Ligand Isolation inside a Metal- Organic Framework
Journal of the American Chemical Society, 2013, 135, 14916-14919
4128381 CIFC51 H28 Br2 N2 O9 Zn2P m m m11.4319; 15.7328; 18.3308
90; 90; 90
3296.9Dolgopolova, Ekaterina A.; Galitskiy, Vladimir A.; Martin, Corey R.; Gregory, Haley N.; Yarbrough, Brandon J.; Rice, Allison M.; Berseneva, Anna A.; Ejegbavwo, Otega A.; Stephenson, Kenneth S.; Kittikhunnatham, Preecha; Karakalos, Stavros G.; Smith, Mark D.; Greytak, Andrew B.; Garashchuk, Sophya; Shustova, Natalia B.
Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.
Journal of the American Chemical Society, 2019, 141, 5350-5358
4132340 CIFC63 H40 Br2 N4 O11 Zn2P m m m11.291; 15.799; 18.292
90; 90; 90
3263Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.
Flipping the Switch: Fast Photoisomerization in a Confined Environment.
Journal of the American Chemical Society, 2018, 140, 7611-7622
4132346 CIFC82 H56 Br2 N6 O14 Zn2P m m m11.149; 15.869; 22.608
90; 90; 90
3999.9Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.
Flipping the Switch: Fast Photoisomerization in a Confined Environment.
Journal of the American Chemical Society, 2018, 140, 7611-7622
4313212 CIF
HKL
Ba Fe2 O5 YP m m m3.93328; 3.91342; 7.56516
90; 90; 90
116.447Patrick M. Woodward; Pavel Karen
Mixed Valence in YBaFe2O5
Inorganic Chemistry, 2003, 42, 1121-1129
4313213 CIF
HKL
FeP m m m7.8684; 7.826; 15.1284
90; 90; 90
931.6Patrick M. Woodward; Pavel Karen
Mixed Valence in YBaFe2O5
Inorganic Chemistry, 2003, 42, 1121-1129
4313215 CIF
HKL
Ba Fe2 O5 YP m m m3.93182; 3.91718; 7.56826
90; 90; 90
116.564Patrick M. Woodward; Pavel Karen
Mixed Valence in YBaFe2O5
Inorganic Chemistry, 2003, 42, 1121-1129
4313216 CIF
HKL
FeP m m m7.8643; 7.8344; 15.1369
90; 90; 90
932.62Patrick M. Woodward; Pavel Karen
Mixed Valence in YBaFe2O5
Inorganic Chemistry, 2003, 42, 1121-1129
4330138 CIFCo1.5 Fe1.5 H2 O10 Pr Sr3P m m m3.874; 3.875; 16.1953
90; 90; 90
243.1Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg
Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem
Inorganic Chemistry, 2012, 51, 9181-9191
4330141 CIFCo1.5 Fe1.5 H2 O10 Pr Sr3P m m m3.86; 3.867; 15.85
90; 90; 90
236.6Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg
Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem
Inorganic Chemistry, 2012, 51, 9181-9191
4343328 CIFAl B4 Cr3P m m m2.9556; 2.9778; 8.0539
90; 90; 90
70.88Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
4507948 CIFC61 H33 Br2 N2 O14 Zn2P m m m10.9619; 16.0098; 23.383
90; 90; 90
4103.7Nguyen, Huong Giang T.; Weston, Mitchell H.; Sarjeant, Amy A.; Gardner, Daniel M.; An, Zhi; Carmieli, Raanan; Wasielewski, Michael R.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.
Design, Synthesis, Characterization, and Catalytic Properties of a Large-Pore Metal-Organic Framework Possessing Single-Site Vanadyl(monocatecholate) Moieties
Crystal Growth & Design, 2013, 13, 3528
4507949 CIFC56 H30 Br2 N2 O10 Zn2P m m m11.4439; 15.758; 23.466
90; 90; 90
4231.7Nguyen, Huong Giang T.; Weston, Mitchell H.; Sarjeant, Amy A.; Gardner, Daniel M.; An, Zhi; Carmieli, Raanan; Wasielewski, Michael R.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.
Design, Synthesis, Characterization, and Catalytic Properties of a Large-Pore Metal-Organic Framework Possessing Single-Site Vanadyl(monocatecholate) Moieties
Crystal Growth & Design, 2013, 13, 3528
4510738 CIFC31 H26 Br N O6 ZnP m m m11.0629; 15.9543; 18.2692
90; 90; 90
3224.5Weston, Mitchell H.; Delaquil, Amelia A.; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.
Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal‒Organic Frameworks for Selective Sorption
Crystal Growth & Design, 2013, 13, 2938
4510739 CIFC54 H81 Br N10 O15 ZnP m m m10.8826; 16.0836; 18.292
90; 90; 90
3201.7Weston, Mitchell H.; Delaquil, Amelia A.; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.
Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal‒Organic Frameworks for Selective Sorption
Crystal Growth & Design, 2013, 13, 2938
6000297 CIFNi O5 Sr2 TiP m m m3.7217; 7.5158; 8.8321
90; 90; 90
247.05Knee, C. S.; Weller, M. T.
Structure of TlSr2NiO4+delta by high-resolution neutron powder diffraction
Journal of Solid State Chemistry, 1999, 144, 62-67

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