Crystallography Open Database

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4000059 CIFC6 H28 Cl Co N6 O26 P6 Zn8P -3 1 c8.8775; 8.8775; 23.775
90; 90; 120
1622.7Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren
Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O
Chemistry of Materials, 2001, 13, 2972-2978
4000836 CIFB2 Be2 Ca F K O6P -3 1 c4.7054; 4.7054; 14.554
90; 90; 120
279.07Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian
Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)
Chemistry of Materials, 2011, 23, 5457
4002279 CIFCr0.943 S2 V0.427P -3 1 c5.908; 5.908; 11.2254
90; 90; 120
339.323Vaqueiro, P.; Powell, A.V.
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Chemistry of Materials (1,1989-), 2000, 12, 2705-2714
4002293 CIFAs10 Ba2 Cu15.34P -3 1 c6.7329; 6.7329; 11.6747
90; 90; 120
458.333Kim, S.-J.; Kannewurf, C.R.; Ireland, J.; Kanatzidis, M.G.
Ba2 Cu18-x As10: a new mixed-valent ternary copper-rich arsenide with metallic properties
Chemistry of Materials (1,1989-), 2000, 12, 3133-3138
4002759 CIFBa Fe4 O7P -3 1 c5.1503; 5.1503; 13.8069
90; 90; 120
317.17Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad
BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures
Chemistry of Materials, 2017, 29, 2689
4002830 CIFBa0.89 Fe4 K0.21 O7P -3 1 c5.1532; 5.1532; 13.8134
90; 90; 120
317.68Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad
BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures
Chemistry of Materials, 2017, 29, 2689
4003071 CIFC156 H220 I7 In9 N24 O66P -3 1 c27.016; 27.016; 17.719
90; 90; 120
11200Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian
Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation
Chemistry of Materials, 2019, 31, 1084
4003072 CIFC144 H193 Cl7 In9 N21 O63P -3 1 c26.835; 26.835; 17.863
90; 90; 120
11140Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian
Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation
Chemistry of Materials, 2019, 31, 1084
4003073 CIFC144 H193 Br7 In9 N21 O63P -3 1 c26.945; 26.945; 17.792
90; 90; 120
11187Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian
Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation
Chemistry of Materials, 2019, 31, 1084
4003254 CIFC6.13 H13.23 Al4 N1.4 O16 P3 SiP -3 1 c13.61328; 13.61328; 20.249
90; 90; 120
3249.82Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.
Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves
Chemistry of Materials, 2016, 28, 4998
4003255 CIFAl O4 P0.75 Si0.25P -3 1 c13.7594; 13.7594; 19.761
90; 90; 120
3239.95Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.
Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves
Chemistry of Materials, 2016, 28, 4998
4003258 CIFAl12 O48 P8.4 Si3.6P -3 1 c13.8077; 13.8077; 9.9138
90; 90; 120
1636.87Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.
Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves
Chemistry of Materials, 2016, 28, 4998
4003331 CIFC1.29 H3.01 Al N0.33 O4.09 P0.95 Si0.05P -3 1 c13.17398; 13.17398; 30.0925
90; 90; 120
4522.96Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A.
STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging
Chemistry of Materials, 2017, 29, 2180
4003332 CIFAl O4 P0.95 Si0.05P -3 1 c13.15497; 13.15497; 30.5833
90; 90; 120
4583.47Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A.
STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging
Chemistry of Materials, 2017, 29, 2180
4029167 CIFC90 H84 K2 N20 O51 PP -3 1 c17.3549; 17.3549; 22.6324
90; 90; 120
5903.4Basu, Arghya; Das, Gopal
A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.
The Journal of organic chemistry, 2014, 79, 2647-2656
4085766 CIFC90 H96 Fe2 N6 Na2 O12P -3 1 c13.1187; 13.1187; 28.3181
90; 90; 120
4220.62Li, Lihong; Clarkson, Guy J.; Lees, Martin R.; Howson, Suzanne E.; Tan, Sze-yin; Turner, Scott S.; Scott, Peter
Iron and Manganese Complexes of 2-Carbonyl Pyrrolyls: Scorpionate Sandwich Anions and Extended Structures
Organometallics, 2015, 34, 2543
4086889 CIFC37 H53 Cl N4 PdP -3 1 c25.4325; 25.4325; 22.69
90; 90; 120
12709.9García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José
Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates
Organometallics, 2017, 36, 372
4104494 CIFC8 H18 Fe2 N O12P -3 1 c8.2512; 8.2512; 13.846
90; 90; 120
816.4Karl S. Hagen; Sunil G. Naik; Boi Hanh Huynh; Antonio Masello; George Christou
Intensely Colored Mixed-Valence Iron(II) Iron(III) Formate Analogue of Prussian Blue Exhibits Néel N-Type Ferrimagnetism
Journal of the American Chemical Society, 2009, 131, 7516-7517
4106473 CIFC32 H40 Li O8 Si3 UP -3 1 c13.0591; 13.0591; 16.136
90; 90; 120
2383.2Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton
High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6
Journal of the American Chemical Society, 2011, 133, 11732-11743
4109774 CIFC80 H154 Fe12 O50P -3 1 c19.248; 19.248; 17.868
90; 90; 120
5733Theocharis C. Stamatatos; Alexander G. Christou; Candace M. Jones; Brian J. O'Callaghan; Khalil A. Abboud; Ted A. O'Brien; George Christou
"Squaring the Circle": Molecular Squares and Rectangles from Chelate-Induced Structural Transformations of Known Fe10 and New Fe12 Ferric Wheels
Journal of the American Chemical Society, 2007, 129, 9840-9841
4110784 CIFC21 H17 N1.33P -3 1 c15.2238; 15.2238; 26.683
90; 90; 120
5355.6P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh
Solid State Structural Evidence of Chloroform-Benzene-Chloroform Adduct Trapped in Hexaanthryl Octaaminocryptand Channels
Journal of the American Chemical Society, 2006, 128, 9600-9601
4110785 CIFC22.33 H18.33 Cl N1.33P -3 1 c15.5002; 15.5002; 25.94
90; 90; 120
5397.3P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh
Solid State Structural Evidence of Chloroform-Benzene-Chloroform Adduct Trapped in Hexaanthryl Octaaminocryptand Channels
Journal of the American Chemical Society, 2006, 128, 9600-9601
4114018 CIFC85 H125 B2 F8 N18 Na5 Ni9 O42P -3 1 c16.9608; 16.9608; 24.7593
90; 90; 120
6168.2Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder
Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties
Journal of the American Chemical Society, 2003, 125, 9476-9483
4114711 CIFC108 H237 F36 N6 O9.5 P15 Re18 Sb6 Se24P -3 1 c26.493; 26.493; 37.545
90; 90; 120
22822Bryan K. Roland; Hugh D. Selby; Michael D. Carducci; Zhiping Zheng
Built to Order: Molecular Tinkertoys from the [Re6(μ3-Se)8]2+ Clusters
Journal of the American Chemical Society, 2002, 124, 3222-3223
4114932 CIFC72 H126 Cl3 K Mn Mo6 N36 O12P -3 1 c14.2312; 14.2312; 28.1433
90; 90; 120
4936.2Jennifer J. Sokol; Allan G. Hee; Jeffrey R. Long
A Cyano-Bridged Single-Molecule Magnet: Slow Magnetic Relaxation in a Trigonal Prismatic MnMo6(CN)18 Cluster
Journal of the American Chemical Society, 2002, 124, 7656-7657
4118946 CIFC8 H14 Fe2 N O12P -3 1 c8.255; 8.255; 13.891
90; 90; 120
819.8Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal
The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework
Journal of the American Chemical Society, 2012, 134, 19772-19781
4118947 CIFC8 H14 Fe2 N O12P -3 1 c8.2485; 8.2485; 13.8542
90; 90; 120
816.32Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal
The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework
Journal of the American Chemical Society, 2012, 134, 19772-19781
4120119 CIFC42 H24 In3 N0 O16P -3 1 c20.8131; 20.8131; 23.185
90; 90; 120
8697.8Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu
Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites
Journal of the American Chemical Society, 2013, 135, 10270-10273
4120120 CIFC60 H38 In3 N3 O20 ZnP -3 1 c18.7843; 18.7843; 25.0267
90; 90; 120
7647.6Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu
Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites
Journal of the American Chemical Society, 2013, 135, 10270-10273
4120121 CIFC60 H36 Co2 In3 N3 O22P -3 1 c18.8658; 18.8658; 24.6975
90; 90; 120
7612.6Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu
Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites
Journal of the American Chemical Society, 2013, 135, 10270-10273
4123338 CIFC54 H24 N6 Ni3 O13P -3 1 c16.7342; 16.7342; 15.233
90; 90; 120
3694.25Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun
Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.
Journal of the American Chemical Society, 2015, 137, 1396-1399
4123339 CIFC54 H30 N6 Ni3 O13P -3 1 c16.6706; 16.6706; 20.9026
90; 90; 120
5030.76Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun
Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.
Journal of the American Chemical Society, 2015, 137, 1396-1399
4123443 CIFC216 H72 F12 N0 O52 Zn16P -3 1 c37.1295; 37.1295; 30.052
90; 90; 120
35879Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4123444 CIFC172.5 H115.5 O38 Zn8P -3 1 c37.1842; 37.1842; 29.9546
90; 90; 120
35868.3Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4123445 CIFC54 H36 N6 O13 Zn4P -3 1 c37.149; 37.149; 30.032
90; 90; 120
35893Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4123447 CIFC78 H30 O13 Zn4P -3 1 c36.78; 36.78; 29.9
90; 90; 120
35029Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4123448 CIFC121 H64.15 N4 O26 Zn8P -3 1 c37.09; 37.09; 29.987
90; 90; 120
35725Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4123449 CIFC108 H36 F24 N0 O26 Zn8P -3 1 c37.227; 37.227; 30.149
90; 90; 120
36184Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4123450 CIFC54 H25.69 F3.8 O13 Zn4P -3 1 c37.099; 37.099; 30.042
90; 90; 120
35808Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4123451 CIFC114 H54 N0 O26 Zn8P -3 1 c37.083; 37.083; 30.0291
90; 90; 120
35762Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4123453 CIFC115.5 H67.5 O33.5 Zn8P -3 1 c37.151; 37.151; 30.042
90; 90; 120
35908.8Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4123454 CIFC108 H60 N12 O26 Zn8P -3 1 c37.1916; 37.1916; 29.9793
90; 90; 120
35912.2Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4123758 CIFC51 H48 I6 Mn6 N12 O20P -3 1 c16.5692; 16.5692; 18.2847
90; 90; 120
4347.3Nguyen, Tu N.; Shiddiq, Muhandis; Ghosh, Tuhin; Abboud, Khalil A.; Hill, Stephen; Christou, George
Covalently Linked Dimer of Mn3 Single-Molecule Magnets and Retention of Its Structure and Quantum Properties in Solution.
Journal of the American Chemical Society, 2015, 137, 7160-7168
4129837 CIFC54 H30 O13 Zn4P -3 1 c37.166; 37.166; 30.111
90; 90; 120
36020Feng, Yongqiang; Wang, Taishan; Li, Yongjian; Li, Jie; Wu, Jingyi; Wu, Bo; Jiang, Li; Wang, Chunru
Steering Metallofullerene Electron Spin in Porous Metal-Organic Framework.
Journal of the American Chemical Society, 2015, 137, 15055-15060
4130553 CIFC336 H210 Ag30 Au80 Cl15P -3 1 c30.5957; 30.5957; 30.7966
90; 90; 120
24966.3Zeng, Jiu-Lian; Guan, Zong-Jie; Du, Yang; Nan, Zi-Ang; Lin, Yu-Mei; Wang, Quan-Ming
Chloride-Promoted Formation of a Bimetallic Nanocluster Au80Ag30 and the Total Structure Determination.
Journal of the American Chemical Society, 2016, 138, 7848-7851
4130924 CIFC42 H6 Cl4 Co2 In3 N9 O16P -3 1 c13.8392; 13.8392; 23.269
90; 90; 120
3859.5Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun
Multivariable Modular Design of Pore Space Partition.
Journal of the American Chemical Society, 2016, 138, 15102-15105
4135540 CIFC284 H330 N54 O88 Pd6P -3 1 c28.7906; 28.7906; 41.6357
90; 90; 120
29888.1Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu
Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.
Journal of the American Chemical Society, 2021
4300602 CIFK2.3 Mo12 S14P -3 1 c9.172; 9.172; 16.403
90; 90; 120
1195Inorganic Chemistry, 2006
4300603 CIFK2.12 Mo12 S14P -3 1 c9.1476; 9.1476; 16.421
90; 90; 120
1189.99Inorganic Chemistry, 2006
4300604 CIFK2.57 Mo12 S14P -3 1 c9.199; 9.199; 16.426
90; 90; 120
1203.8Inorganic Chemistry, 2006

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