Crystallography Open Database

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1001073 CIFMo3 Nd5 O16P n -3 n :210.99; 10.99; 10.99
90; 90; 90		1327.4Hubert, P H; Michel, P; Thozet, A
Structure du molybdite de neodyme Nd~5~ Mo~3~ O~16~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1973, 276, 1779-1781
1008194 CIFCd Mo3 O16 Y4P n -3 n :210.688; 10.688; 10.688
90; 90; 90		1220.9Bourdet, J B; Chevalier, R; Fournier, J P; Kohlmuller, R; Omaly, J
A structural study of cadmium yttrium molybdate Cd Y~4~ Mo~3~ O~16~
Acta Crystallographica B (24,1968-38,1982), 1982, 38, 2371-2374
1531935 CIFC4 H4 O6 ZnP n -3 n :216.256; 16.256; 16.256
90; 90; 90		4295.77Neeraj, S.; Noy, M.L.; Rao, C.N.R.; Cheetham, A.K.
Sodalite networks formed by metal squarates
Solid State Sciences, 2002, 4, 1231-1236
1548271 CIFC450 H492 B24 F18 Fe42 N240 O60 S6P n -3 n :230.8314; 30.8314; 30.8314
90; 90; 90		29308Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato
A ferromagnetically coupled Fe42 cyanide-bridged nanocage
Nature Communications, 2015, 6, 5955
1548272 CIFC450 H548 B24 F18 Fe42 N240 O88 S6P n -3 n :230.7679; 30.7679; 30.7679
90; 90; 90		29127Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato
A ferromagnetically coupled Fe42 cyanide-bridged nanocage
Nature Communications, 2015, 6, 5955
1551824 CIFC252 H220 N20 O68 Pd4 S6P n -3 n :246.241; 46.241; 46.241
90; 90; 90		98874Tanya K. Ronson; Julie Fisher; Lindsay P. Harding; Pierre J. Rizkallah; John E. Warren; Michaele J. Hardie
Stellated polyhedral assembly of a topologically complicated Pd4L4 'Solomon cube'
Nature Chemistry, 2009, 1, 212-216
2101645 CIF
Paper		C4 H4.67 Co O6.33P n -3 n :216.255; 16.255; 16.255
90; 90; 90		4295Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu
Structural relationship of various squarates
Acta Crystallographica Section B, 1996, 52, 966-975
2201298 CIF
HKL
Paper		C4 H4 Fe O6P n -3 n :216.3606; 16.3606; 16.3606
90; 90; 90		4379.2Näther, Christian; Greve, Jan; Jeß, Inke
Poly[diaqua(μ~4~-squarato-<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')iron(II)]
Acta Crystallographica Section E, 2002, 58, m507-m509
2201302 CIF
HKL
Paper		C4 H5.86 Mn O6.93P n -3 n :216.5527; 16.5527; 16.5527
90; 90; 90		4535.3Greve, Jan; Näther, Christian
Poly[[diaqua(μ~4~-squarato-<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')manganese(II)] 0.93-hydrate]
Acta Crystallographica Section E, 2002, 58, m625-m627
2201316 CIF
HKL
Paper		C4 H4 Ni O6.71P n -3 n :216.1467; 16.1467; 16.1467
90; 90; 90		4209.7Greve, Jan; Näther, Christian
Poly[[diaqua(μ~4~-squarato-<i>O,O</i>',<i>O</i>'',<i>O</i>''')nickel(II)] 0.71-hydrate]
Acta Crystallographica Section E, 2002, 58, m653-m655
4101116 CIFC96 H72 Cl1.5 N27 O33 Pd3P n -3 n :228.2132; 28.2132; 28.2132
90; 90; 90		22457Moon, Dohyun; Kang, Sangmi; Park, Jaejoon; Lee, Kyungjai; John, Rohith P.; Won, Hosik; Seong, Ki Hoon; Kim, Yang Sun; Kim, Ghyung Hwa; Rhee, Hakjune; Lah, Myoung Soo
Journal of the American Chemical Society, 2006
4116001 CIFC240 H338 Cl12 N72 Ni6 O37 S24P n -3 n :224.7269; 24.7269; 24.7269
90; 90; 90		15118.5Maochun Hong; Yingjun Zhao; Weiping Su; Rong Cao; Makoto Fujita; Zhongyuan Zhou; Albert S. C. Chan
A Nanometer-Sized Metallosupramolecular Cube with Oh Symmetry
Journal of the American Chemical Society, 2000, 122, 4819-4820
4124562 CIFC12 H6 N3 O7 TbP n -3 n :229.2095; 29.2095; 29.2095
90; 90; 90		24921.4Zhang, Shi-Yuan; Shi, Wei; Cheng, Peng; Zaworotko, Michael J.
A Mixed-Crystal Lanthanide Zeolite-like Metal-Organic Framework as a Fluorescent Indicator for Lysophosphatidic Acid, a Cancer Biomarker.
Journal of the American Chemical Society, 2015, 137, 12203-12206
4133028 CIFC600 H660 N54 O24 Zn6P n -3 n :239.258; 39.258; 39.258
90; 90; 90		60504Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon
Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.
Journal of the American Chemical Society, 2018, 140, 14547-14551
4133030 CIFC588 H654 N54 O24 Zn6P n -3 n :238.945; 38.945; 38.945
90; 90; 90		59068Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon
Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.
Journal of the American Chemical Society, 2018, 140, 14547-14551
4133031 CIFC606 H672 N54 O30 Zn6P n -3 n :239.074; 39.074; 39.074
90; 90; 90		59657Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon
Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.
Journal of the American Chemical Society, 2018, 140, 14547-14551
4313731 CIFC60 H70.67 F12 N14 Ni3 O0.33 P2P n -3 n :221.5984; 21.5984; 21.5984
90; 90; 90		10075.5John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang
Enhancing the Stability of Trinickel Molecular Wires and Switches: Ni36+/Ni37+
Inorganic Chemistry, 2003, 42, 3595-3601
4316487 CIFC12 H60 Cu40 N12 S60 Sn15P n -3 n :225.26; 25.26; 25.26
90; 90; 90		16118Malte Behrens; Marie-Eve Ordolff; Christian Näther; Wolfgang Bensch; Klaus-Dieter Becker; Catherine Guillot-Deudon; Alain Lafond; Jason A. Cody
New Three-Dimensional Thiostannates Composed of Linked Cu8S12 Clusters and the First Example of a Mixed-Metal Cu7SnS12 Cluster
Inorganic Chemistry, 2010, 49, 8305-8309
4319047 CIFC169 H177 Cl3 Er9 N O44P n -3 n :233.5054; 33.5054; 33.5054
90; 90; 90		37613.6Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4319048 CIFC169 H177 Cl3 N O44 Sm9P n -3 n :233.8652; 33.8652; 33.8652
90; 90; 90		38838.4Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4319049 CIFC169 H177 Cl3 Eu9 N O44P n -3 n :233.8252; 33.8252; 33.8252
90; 90; 90		38700.9Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4319050 CIFC169 H177 Cl3 Gd9 N O44P n -3 n :233.7061; 33.7061; 33.7061
90; 90; 90		38293.5Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4319051 CIFC169 H177 Cl3 Dy9 N O44P n -3 n :233.59; 33.59; 33.59
90; 90; 90		37899.2Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4329447 CIFC30 H61 Cu8 F6 N6 P S12P n -3 n :222.788; 22.788; 22.788
90; 90; 90		11834Ping-Kuei Liao; Ching-Shiang Fang; Alison J. Edwards; Samia Kahlal; Jean-Yves Saillard; C. W. Liu
Hydrido Copper Clusters Supported by Dithiocarbamates: Oxidative Hydride Removal and Neutron Diffraction Analysis of [Cu7(H){S2C(aza-15-crown-5)}6]
Inorganic Chemistry, 2012, 51, 6577-6591
4336328 CIFC40.5 H25.5 Cu1.5 O7.5P n -3 n :232.99; 32.99; 32.99
90; 90; 90		35904Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen
Metastable Interwoven Mesoporous Metal-Organic Frameworks
Inorganic Chemistry, 2013, 52, 11580-11584
4336329 CIFC156 H84 Mn6 N0 O30P n -3 n :233.5118; 33.5118; 33.5118
90; 90; 90		37635Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen
Metastable Interwoven Mesoporous Metal-Organic Frameworks
Inorganic Chemistry, 2013, 52, 11580-11584
4336330 CIFC26 H14 N0 O5 ZnP n -3 n :232.8643; 32.8643; 32.8643
90; 90; 90		35495Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen
Metastable Interwoven Mesoporous Metal-Organic Frameworks
Inorganic Chemistry, 2013, 52, 11580-11584
4349799 CIFC4 H4 Mg O6P n -3 n :216.2912; 16.2912; 16.2912
90; 90; 90		4323.7Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong
Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens
Inorganic Chemistry Frontiers, 2018, 5, 189
4504950 CIFC480 H408 Cu6 N48 O192.08P n -3 n :232.066; 32.066; 32.066
90; 90; 90		32971.2Natarajan, Ramalingam; Savitha, Govardhan; Moorthy, Jarugu Narasimha
Self-Assembly of a Unique Extended-Tetrahedral 3,3‘,5,5‘-Tetrakis(4-pyridyl)bimesityl Ligand into Discrete Supramolecular Cubes by Face-Directed Metal Coordination
Crystal Growth & Design, 2005, 5, 69
4504951 CIFC456 H408 N48 Ni6 O12P n -3 n :232.2839; 32.2839; 32.2839
90; 90; 90		33647.9Natarajan, Ramalingam; Savitha, Govardhan; Moorthy, Jarugu Narasimha
Self-Assembly of a Unique Extended-Tetrahedral 3,3‘,5,5‘-Tetrakis(4-pyridyl)bimesityl Ligand into Discrete Supramolecular Cubes by Face-Directed Metal Coordination
Crystal Growth & Design, 2005, 5, 69
7019815 CIFC36 H30 Fe2 N12 Na O12P n -3 n :222.28; 22.28; 22.28
90; 90; 90		11060Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Boyko, Aleksander N.; Haukka, Matti; Fritsky, Igor O.
Encapsulation of a guest sodium cation by iron(iii) tris-(hydroxamate)s.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 9427-9430
7021755 CIFC22 H31.34 Cu N4 O8.67 S2P n -3 n :216.6403; 16.6403; 16.6403
90; 90; 90		4607.7Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi
Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 11100-11110
7032113 CIFC78 H92 O19 SrP n -3 n :228.3335; 28.3335; 28.3335
90; 90; 90		22745.8Adhikari, Birendra Babu; Zhao, Xiang; Derakhshan, Shahab; Schramm, Michael P.
p-tert-Butylcalix[6]arene hexacarboxylic acid as host for Pb(ii), Sr(ii) and Ba(ii).
Dalton transactions (Cambridge, England : 2003), 2014, 43, 15560-15565
7102090 CIFC66 H246 Al38 Mg10 N10 O238 P48P n -3 n :218.9056; 18.9056; 18.9056
90; 90; 90		6757.3Castro, Maria; Garcia, Raquel; Warrender, Stewart J; Slawin, Alexandra M Z; Wright, Paul A; Cox, Paul A; Fecant, Antoine; Mellot-Draznieks, Caroline; Bats, Nicolas
Co-templating and modelling in the rational synthesis of zeolitic solids.
Chemical communications (Cambridge, England), 2007, 3470-3472
7102990 CIFC68 H108 Cu3 F30 N20 O6 V7P n -3 n :216.4943; 16.4943; 16.4943
90; 90; 90		4487.5Mahenthirarajah, Thushitha; Lightfoot, Philip
A new hybrid framework based on a 'superoctahedral' [V7O6F30](14-) polyanion.
Chemical communications (Cambridge, England), 2008, 1401-1403
7108016 CIFC36 H46.88 Cd2 N6 Na O25.94 S6P n -3 n :221.9332; 21.9332; 21.9332
90; 90; 90		10551.3Chun-Sen Liu; Xiao-Gang Yang; Min Hu; Miao Du; Shao-Ming Fang
A structural paradigm for 3-periodic semiregular (46.69)-hxg net with high-symmetry hexagonal geometry, constructed from the linear [Cd2NaO6(H2O)6] SBUs and a flexible 6,6'-dithiodinicotinate linker
Chem.Commun., 2012, 48, 7459
7111573 CIFC24 Cu80 N24 S120 Sn30P n -3 n :225.4484; 25.4484; 25.4484
90; 90; 90		16480.9Zhang, Ren-Chun; Yao, Hua-Gang; Ji, Shou-Hua; Liu, Mei-Chen; Ji, Min; An, Yong-Lin
(H2en)2Cu8Sn3S12: a trigonal CuS3-based open-framework sulfide with interesting ion-exchange properties
Chemical Communications, 2010, 46, 4550-4552
7111574 CIFC24 Cs5.64 Cu80 N24 S120 Sn30P n -3 n :225.3455; 25.3455; 25.3455
90; 90; 90		16281.8Zhang, Ren-Chun; Yao, Hua-Gang; Ji, Shou-Hua; Liu, Mei-Chen; Ji, Min; An, Yong-Lin
(H2en)2Cu8Sn3S12: a trigonal CuS3-based open-framework sulfide with interesting ion-exchange properties
Chemical Communications, 2010, 46, 4550-4552
7114383 CIFC1.6 H4 N0.8 O8.3 S2.2 Sc0.93P n -3 n :225.2469; 25.2469; 25.2469
90; 90; 90		16092.5Bull, Ivor; Wheatley, Paul S.; Lightfoot, Philip; Morris, Russell E.; Sastre, Enrique; Wright, Paul A.
Synthesis and crystal structure of the first scandium-containing open framework solidElectronic supplementary information (ESI) available: crystallographic tables, TGA and TG-MS, le Bail plot and Rietveld fit. See http://www.rsc.org/suppdata/cc/b2/b202500k/
Chemical Communications, 2002, 1180
7119037 CIFC240 H240 F39 Mn8 N84 P6.5P n -3 n :226.6801; 26.6801; 26.6801
90; 90; 90		18991.6Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che
M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange
Chem.Commun., 2016, 52, 5981
7125610 CIFC78 H96 O18 PbP n -3 n :228.3035; 28.3035; 28.3035
90; 90; 90		22673.6Adhikari, Birendra Babu; Ohto, Keisuke; Schramm, Michael P.
p-tert-Butylcalix[6]arene hexacarboxylic acid conformational switching and octahedral coordination with Pb(II) and Sr(II).
Chemical communications (Cambridge, England), 2014, 50, 1903-1905
7128148 CIFC24 H96 Cu6 N24 Nb68 O204P n -3 n :243.7163; 43.7163; 43.7163
90; 90; 90		83546.9Lin, Yu-Diao; Zhu, Zeng-Kui; Ge, Rui; Yu, Hao; Li, Zhong; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
Proton conductive polyoxoniobate frameworks constructed from nanoscale {Nb<sub>68</sub>O<sub>200</sub>} cages.
Chemical communications (Cambridge, England), 2021, 57, 4702-4705
7206498 CIFC36 H40 Mn2 N6 Na O22.5 S6P n -3 n :221.9371; 21.9371; 21.9371
90; 90; 90		10556.9Yuan, Ning; Sheng, Tianlu; Zhang, Jian; Tian, Chongbin; Hu, Shengmin; Huang, Xihe; Wang, Fei; Wu, Xintao
A disulfide ligand with axial chirality generated in situ for the construction of an unusual hxg topological coordination polymer
CrystEngComm, 2011, 13, 5951
7208867 CIFC10 H7 Cu0.5 N O3.5P n -3 n :232.365; 32.365; 32.365
90; 90; 90		33902Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo
Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework
CrystEngComm, 2013, 15, 259
7209036 CIFC141.17 H156.92 Cl7.75 Co N10 O8.58P n -3 n :237.4921; 37.4921; 37.4921
90; 90; 90		52701Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.
In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals
CrystEngComm, 2013, 15, 1545
7209037 CIFC147.33 H174.33 Cl10.08 Co N9 O11.33P n -3 n :237.5208; 37.5208; 37.5208
90; 90; 90		52822.2Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.
In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals
CrystEngComm, 2013, 15, 1545
7209038 CIFC136.33 H155.33 Cl0.17 Co N9 O13.33P n -3 n :237.1172; 37.1172; 37.1172
90; 90; 90		51135.9Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.
In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals
CrystEngComm, 2013, 15, 1545
7209039 CIFC169.08 H215.58 Co N9 O20.75P n -3 n :237.5512; 37.5512; 37.5512
90; 90; 90		52950.7Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.
In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals
CrystEngComm, 2013, 15, 1545
7209040 CIFC130.83 H150.25 Br2 Cl4.25 Co N8 O9.42P n -3 n :237.627; 37.627; 37.627
90; 90; 90		53272Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.
In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals
CrystEngComm, 2013, 15, 1545
7209041 CIFC130.83 H155.08 Br0.88 Cl4.25 Co N8 O11.42P n -3 n :237.2791; 37.2791; 37.2791
90; 90; 90		51807.9Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.
In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals
CrystEngComm, 2013, 15, 1545

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