Crystallography Open Database

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4102583 CIFB3 Be2 K O7P m n 217.639; 17.464; 4.376
90; 90; 90
583.8Shichao Wang; Ning Ye; Wei Li; Dan Zhao
Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals
Journal of the American Chemical Society, 2010, 132, 8779-8786
4102585 CIFB3 Be2 O7 RbP m n 217.687; 17.724; 4.393
90; 90; 90
598.5Shichao Wang; Ning Ye; Wei Li; Dan Zhao
Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals
Journal of the American Chemical Society, 2010, 132, 8779-8786
4103065 CIFC14 H19 N O2P m n 218.5842; 8.5197; 8.4723
90; 90; 90
619.62Shifa Zhu; Xue Xu; Jason A. Perman; X. Peter Zhang
A General and Efficient Cobalt(II)-Based Catalytic System for Highly Stereoselective Cyclopropanation of Alkenes with α-Cyanodiazoacetates
Journal of the American Chemical Society, 2010, 132, 12796-12799
4104758 CIFC38 H16P m n 2117.238; 14.184; 4.1973
90; 90; 90
1026.3Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott
Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations
Journal of the American Chemical Society, 2009, 131, 10537-10545
4106746 CIFC48 H74 F5 N Ni P2P m n 2113.9158; 16.9189; 9.782
90; 90; 90
2303.1Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood
Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes
Journal of the American Chemical Society, 2011, 133, 14338-14348
4107402 CIFC102 H225 N9 O62 P2 W18P m n 2126.78; 15.516; 19.956
90; 90; 90
8292De-Liang Long; Carsten Streb; Yu-Fei Song; Scott Mitchell; Leroy Cronin
Unravelling the Complexities of Polyoxometalates in Solution Using Mass Spectrometry: Protonation versus Heteroatom Inclusion
Journal of the American Chemical Society, 2008, 130, 1830-1832
4112020 CIFC58 H50 N6 O Ti3P m n 2118.5416; 15.6225; 7.8136
90; 90; 90
2263.3Ingmar M. Piglosiewicz; Ruediger Beckhaus; Wolfgang Saak; Detlev Haase
Dehydroaromatization of Quinoxalines: One-Step Syntheses of Trinuclear 1,6,7,12,13,18-Hexaazatrinaphthylene Titanium Complexes
Journal of the American Chemical Society, 2005, 127, 14190-14191
4112247 CIFC1000 H1000 N500 O500P m n 2118.755; 32.165; 44.134
90; 90; 90
26624Young Ho Ko; Kyungpil Kim; Jin-Koo Kang; Hyungphil Chun; Jae Wook Lee; Shigeru Sakamoto; Kentaro Yamaguchi; James C. Fettinger; Kimoon Kim
Designed Self-Assembly of Molecular Necklaces Using Host-Stabilized Charge-Transfer Interactions
Journal of the American Chemical Society, 2004, 126, 1932-1933
4116439 CIFB H6 NP m n 215.395; 4.887; 4.986
90; 90; 90
131.46Wim T. Klooster; Thomas F. Koetzle; Per E. M. Siegbahn; Thomas B. Richardson; Robert H. Crabtree
Study of the N-H...H-B Dihydrogen Bond Including the Crystal Structure of BH3NH3 by Neutron Diffraction
Journal of the American Chemical Society, 1999, 121, 6337-6343
4118563 CIFGe16 K14 ZnP m n 2120.1357; 6.9934; 14.0398
90; 90; 90
1977.04Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler
Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters
Journal of the American Chemical Society, 2012, 134, 14450-14460
4118564 CIFGe16 Rb14 ZnP m n 2120.8718; 7.2103; 14.4434
90; 90; 90
2173.62Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler
Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters
Journal of the American Chemical Society, 2012, 134, 14450-14460
4124559 CIFC34 H44 F3 O P2 RhP m n 2115.142; 7.5379; 14.685
90; 90; 90
1676.1Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea
Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.
Journal of the American Chemical Society, 2015, 137, 12321-12329
4124739 CIFSb7 Zn8P m n 2115.0291; 7.731; 12.7431
90; 90; 90
1480.62Wang, Jian; Kovnir, Kirill
Elusive β-Zn8Sb7: A New Zinc Antimonide Thermoelectric.
Journal of the American Chemical Society, 2015, 137, 12474-12477
4125846 CIFC8 Cs9 F5 Mg6 O24P m n 2113.2888; 6.8258; 18.824
90; 90; 90
1707.5Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv
Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials.
Journal of the American Chemical Society, 2017, 139, 1285-1295
4126462 CIFC4 H11 N O2 SP m n 217.733; 6.629; 6.587
90; 90; 90
337.7Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.
Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.
Journal of the American Chemical Society, 2017
4128249 CIFC43 H48 F6 Fe N7 O7 S2P m n 2113.5964; 9.6432; 17.6757
90; 90; 90
2317.5Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.
Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.
Journal of the American Chemical Society, 2019, 141, 6639-6650
4133096 CIFC37 H39 N3 O3P m n 2119.855; 5.3006; 15.6536
90; 90; 90
1647.4DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.
Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.
Journal of the American Chemical Society, 2018, 140, 13064-13070
4133232 CIFC34 H50 O4 YbP m n 2113.5501; 12.9804; 8.9048
90; 90; 90
1566.23Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory
Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.
Journal of the American Chemical Society, 2018, 140, 14433-14439
4134320 CIFBa0.5 F2 H O Te0.5P m n 217.5013; 8.6517; 4.2142
90; 90; 90
273.5Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Jiang, Shutong; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv
BaF<sub>2</sub>TeF<sub>2</sub>(OH)<sub>2</sub>: A UV Nonlinear Optical Fluorotellurite Material Designed by Band-Gap Engineering.
Journal of the American Chemical Society, 2020
4134465 CIFC4 H11 Cl4 N ZnP m n 217.1698; 14.6397; 10.3561
90; 90; 90
1087.01Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan
Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.
Journal of the American Chemical Society, 2020, 142, 6236-6243
4300701 CIFC18 H26 Hg2 I4 N2 S2P m n 2116.791; 10.85; 9.057
90; 90; 90
1650Inorganic Chemistry, 2006
4301763 CIFC44 H100 Cu2 N8 O8 S4P m n 2112.0698; 14.848; 8.2281
90; 90; 90
1474.6Kayla N. Green; Scott M. Brothers; Boram Lee; Marcetta Y. Darensbourg; David A. Rockcliffe
Chemical Issues Addressing the Construction of the Distal Ni[Cysteine-Glycine-Cysteine]2-Site of Acetyl CoA Synthase: Why Not Copper?
Inorganic Chemistry, 2009, 48, 2780-2792
4302973 CIFCd Ge Li2 S4P m n 217.7374; 6.8498; 6.3688
90; 90; 90
337.544Jonathan W. Lekse; Meghann A. Moreau; Katie L. McNerny; Jeongho Yeon; P. Shiv Halasyamani; Jennifer A. Aitken
Second-Harmonic Generation and Crystal Structure of the Diamond-like Semiconductors Li2CdGeS4 and Li2CdSnS4
Inorganic Chemistry, 2009, 48, 7516-7518
4302974 CIFCd Li2 S4 SnP m n 217.9555; 6.9684; 6.4886
90; 90; 90
359.71Jonathan W. Lekse; Meghann A. Moreau; Katie L. McNerny; Jeongho Yeon; P. Shiv Halasyamani; Jennifer A. Aitken
Second-Harmonic Generation and Crystal Structure of the Diamond-like Semiconductors Li2CdGeS4 and Li2CdSnS4
Inorganic Chemistry, 2009, 48, 7516-7518
4305380 CIFC3 H13 B10 IP m n 217.2615; 9.6534; 8.0861
90; 90; 90
566.82Gemma Barberà; Albert Vaca; Francesc Teixidor; Reijo Sillanpää; Raikko Kivekäs; Clara Viñas
Designed Synthesis of New ortho-Carborane Derivatives: from Mono- to Polysubstituted Frameworks
Inorganic Chemistry, 2008, 47, 7309-7316
4306282 CIFC6 H4 Ni O4 PP m n 215.54853; 14.3919; 4.79766
90; 90; 90
383.11Elvira M. Bauer; Carlo Bellitto; Guido Righini; Marcello Colapietro; Gustavo Portalone; Marc Drillon; Pierre Rabu
Comparison of the Structure and Magnetic Order in a Series of Layered Ni(II) Organophosphonates, Ni[(RPO3)(H2O)] (R = C6H5, CH3, C18H37)
Inorganic Chemistry, 2008, 47, 10945-10952
4308898 CIFC18 H18 B2 Cu F8 N4P m n 2111.4816; 13.517; 6.9302
90; 90; 90
1075.5Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence
Solution and Solid-State Variation of Cupric Phenanthroline Complexes
Inorganic Chemistry, 2005, 44, 4001-4007
4308900 CIFC16 H12 B2 Cl Cu F8 N4P m n 2111.3592; 13.2634; 6.9315
90; 90; 90
1044.3Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence
Solution and Solid-State Variation of Cupric Phenanthroline Complexes
Inorganic Chemistry, 2005, 44, 4001-4007
4309612 CIFAl Cl9 N3 P3P m n 2111.9974; 11.7111; 10.7768
90; 90; 90
1514.2Amy J. Heston; Matthew J. Panzner; Wiley J. Youngs; Claire A. Tessier
Lewis Acid Adducts of [PCl2N]3
Inorganic Chemistry, 2005, 44, 6518-6520
4309707 CIFCl12 Ga8 H2P m n 2114.193; 9.2745; 8.0839
90; 90; 90
1064.1Christina Y. Tang; Anthony J. Downs; Tim M. Greene; Sarah Marchant; Simon Parsons
Decomposition of Monochlorogallane, [H2GaCl]n, and Adducts with Amine and Phosphine Bases: Formation of Cationic Gallane Derivatives
Inorganic Chemistry, 2005, 44, 7143-7150
4310274 CIFC15 H6 Cu N7 SP m n 2122.993; 6.094; 5.3827
90; 90; 90
754.22Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu
New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI
Inorganic Chemistry, 2004, 43, 181-188
4313341 CIFCs4 K O44 Si W11 YbP m n 2116.4189; 12.9208; 11.2991
90; 90; 90
2397.05Pierre Mialane; Laurent Lisnard; Alain Mallard; Jérôme Marrot; Elisabeth Antic-Fidancev; Patrick Aschehoug; Daniel Vivien; Francis Sécheresse
Solid-State and Solution Studies of {Lnn(SiW11O39)} Polyoxoanions: An Example of Building Block Condensation Dependent on the Nature of the Rare Earth
Inorganic Chemistry, 2003, 42, 2102-2108
4317253 CIFC40 H58 Co Cr O4P m n 2113.5754; 11.9152; 12.4276
90; 90; 90
2010.2Stanislav Groysman; Dino Villagrán; Daniel G. Nocera
Pseudotetrahedral d0, d1, and d2 Metal-Oxo Cores within a Tris(alkoxide) Platform
Inorganic Chemistry, 2010, 49, 10759-10761
4324147 CIFC7 H21 Ga N2P m n 219.2964; 9.0062; 6.5079
90; 90; 90
544.88Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann
Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride
Inorganic Chemistry, 2011, 50, 325-335
4324743 CIFC55.25 H50.5 F12 N10 O5 P2 Ru2P m n 2125.3428; 17.2004; 14.7026
90; 90; 90
6409Laia Francàs; Xavier Sala; Eduardo Escudero-Adán; Jordi Benet-Buchholz; Lluís Escriche; Antoni Llobet
Synthesis, Structure, and Reactivity of New Tetranuclear Ru-Hbpp-Based Water-Oxidation Catalysts
Inorganic Chemistry, 2011, 50, 2771-2781
4324789 CIFC6 N6 S3P m n 2114.2167; 3.681; 7.8017
90; 90; 90
408.28Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev
Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products
Inorganic Chemistry, 2011, 50, 3017-3027
4326239 CIFAl Cl9 N3 P3P m n 2111.992; 11.713; 10.773
90; 90; 90
1513.2Zin-Min Tun; Amy J. Heston; Matthew J. Panzner; Doug A. Medvetz; Brian D. Wright; Deepa Savant; Venkat R. Dudipala; Debasish Banerjee; Peter L. Rinaldi; Wiley J. Youngs; Claire A. Tessier
Group 13 Lewis Acid Adducts of [PCl2N]3
Inorganic Chemistry, 2011, 50, 8937-8945
4326739 CIFC2 H5 Co O4 PP m n 215.66454; 9.82816; 4.79868
90; 90; 90
267.152Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda
Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties
Inorganic Chemistry, 2011, 50, 11202-11211
4326740 CIFC2 H5 Ni O4 PP m n 215.59305; 9.80728; 4.74367
90; 90; 90
260.203Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda
Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties
Inorganic Chemistry, 2011, 50, 11202-11211
4326741 CIFC2 H5 Cd O4 PP m n 215.92778; 9.94346; 5.0314
90; 90; 90
296.56Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda
Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties
Inorganic Chemistry, 2011, 50, 11202-11211
4326745 CIFC2 H3 Fe O4 PP m n 215.7012; 9.778; 4.8049
90; 90; 90
267.86Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda
Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties
Inorganic Chemistry, 2011, 50, 11202-11211
4326746 CIFC2 H5 O4 P ZnP m n 215.67; 9.708; 4.7747
90; 90; 90
262.82Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda
Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties
Inorganic Chemistry, 2011, 50, 11202-11211
4330274 CIFLi6 Mo6 O33 Se6P m n 218.2687; 16.6546; 19.2321
90; 90; 90
2648.5Sau Doan Nguyen; P. Shiv Halasyamani
Synthesis, Structure, and Characterization of New Li± d0-Lone-Pair - Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+or W6+)
Inorganic Chemistry, 2012, 51, 9529-9538
4332239 CIFC90.45 H83.9 Ag2 Cl0.7 F12 N4 O1.5 P6P m n 2118.7319; 18.51; 25.8368
90; 90; 90
8958.3Lin, Ronger; Yip, John H. K.
Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices
Inorganic Chemistry, 2006, 45, 4423-4430
4332630 CIFC16 H24 N6 O4 P2 WP m n 2121.2016; 7.05; 6.7642
90; 90; 90
1011.05Wong, Gene W.; Harkreader, Jennifer L.; Mebi, Charles A.; Frost, Brian J.
Synthesis and Coordination Chemistry of a Novel Bidentate Phosphine: 6-(Diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh2)
Inorganic Chemistry, 2006, 45, 6748-6755
4332683 CIFC12 H32 K4 O46 Ru2 Si W10P m n 2113.6702; 16.2419; 12.1397
90; 90; 90
2695.38Bi, Li-Hua; Chubarova, Elena V.; Nsouli, Nadeen H.; Dickman, Michael H.; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis
Dilacunary Decatungstates Functionalized by Organometallic Ruthenium(II), [{Ru(C6H6)(H2O)}{Ru(C6H6)}(γ-XW10O36)]4-(X = Si, Ge)
Inorganic Chemistry, 2006, 45, 8575-8583
4332684 CIFC12 H28 Ge K4 O44 Ru2 W10P m n 2113.6684; 16.297; 12.1607
90; 90; 90
2708.8Bi, Li-Hua; Chubarova, Elena V.; Nsouli, Nadeen H.; Dickman, Michael H.; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis
Dilacunary Decatungstates Functionalized by Organometallic Ruthenium(II), [{Ru(C6H6)(H2O)}{Ru(C6H6)}(γ-XW10O36)]4-(X = Si, Ge)
Inorganic Chemistry, 2006, 45, 8575-8583
4335494 CIFC28 H44 FeP m n 2111.771; 10.0996; 9.7652
90; 90; 90
1160.91Richard A. Lewis; Danil E. Smiles; Jonathan M. Darmon; S. Chantal E. Stieber; Guang Wu; Trevor W. Hayton
Reactivity and Mössbauer Spectroscopic Characterization of an Fe(IV) Ketimide Complex and Reinvestigation of an Fe(IV) Norbornyl Complex
Inorganic Chemistry, 2013, 52, 8218-8227
4336644 CIFBr0.17 I1.67 O3.17 Pb3.83P m n 2111.0697; 15.5603; 16.1335
90; 90; 90
2779Oleg I. Siidra; Diana O. Zinyakhina; Anastasiya I. Zadoya; Sergey V. Krivovichev; Rick W. Turner
Synthesis and Modular Structural Architectures of Mineralogically Inspired Novel Complex Pb Oxyhalides
Inorganic Chemistry, 2013, 52, 12799-12805
4337059 CIFC73 H53 Cd Cl5 N16 Pd2P m n 2130.0402; 8.9013; 13.5698
90; 90; 90
3628.5Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini
From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks
Inorganic Chemistry, 2013, 52, 14439-14448

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