Crystallography Open Database

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1501612 CIFC47 H64 N8 O8I 4117.2392; 17.2392; 17.3495
90; 90; 90		5156.1Dominic Laliberté; Thierry Maris; James D. Wuest
Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks
Can. J. Chem., 2004, 82, 386-398
1501613 CIFC55 H80 N4 O8I 4117.7201; 17.7201; 16.0845
90; 90; 90		5050.6Dominic Laliberté; Thierry Maris; James D. Wuest
Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks
Can. J. Chem., 2004, 82, 386-398
1504753 CIFC20 H40 O2 SiI 4124.631; 24.631; 7.397
90; 90; 90		4488Corbu, Andrei; Perez, Manuel; Aquino, Maurizio; Retailleau, Pascal; Arseniyadis, Simeon
Total synthesis and structural confirmation of ent-galbanic acid and marneral.
Organic letters, 2008, 10, 2853-2856
1504773 CIFC24 H18 F4 N2 O3I 4117.532; 17.532; 14.212
90; 90; 90		4368Ishihara, Kazuaki; Nakano, Kazuhiko; Akakura, Matsujiro
Organocatalytic enantioselective Diels-Alder reaction of dienes with alpha-(N,N-Diacylamino)acroleins.
Organic letters, 2008, 10, 2893-2896
1509600 CIFAg1.5 In1.5 Mo3 O12I 414.998; 4.998; 36.725
90; 90; 90		917.391Solodovnikov, S.F.; Klevtsov, P.V.; Perepelitsa, A.P.; Klevtsova, R.F.
The crystal structure and thermal stability of Ag In (Mo O4)2
Kristallografiya, 1984, 29, 701-707
1509921 CIFAg3 Bi O3I 4114.1924; 14.1924; 8.7997
90; 90; 90		1772.47Jansen, M.; Bortz, M.
Ag3BiO3 und Ag5BiO4, die ersten Silberoxobismutate(III)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 1446-1454
1515338 CIFC20 H11 N5I 4112.1481; 12.1481; 10.9626
90; 90; 90		1617.82Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko
Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines
Polymer Chemistry, 2012, 3, 1427
1517884 CIFC36 H18 B F18 NI 4123.5023; 23.5023; 25.182
90; 90; 90		13909.5Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.
Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups
Chem. Sci., 2015, 6, 308
1521519 CIFBi34.16 O67.68 W5.84I 4112.49687; 12.49687; 11.24558
90; 90; 90		1756.24Ling, C.D.
Structural relationships among bismuth-rich phases in the (Bi2 O3)-(Nb2 O5), (Bi2 O3)-(Ta2 O5), (Bi2 O3-Mo O3), and (Bi2 O3)-(W O3) systems
Journal of Solid State Chemistry, 1999, 148, 380-405
1524791 CIFCe2.76923 Ge4.30769I 414.223; 4.223; 14.208
90; 90; 90		253.382Lambert-Andron, B.; Hippert, F.; Houssay, E.; Madar, R.; Pierre, J.; Auffret, S.
Crystal structure and properties of tetragonal Ce Ge1.6
Journal of the Less-Common Metals, 1990, 167, 53-63
1525538 CIFF0.666667 Fe2 Sr3I 4120.338; 20.338; 14.668
90; 90; 90		6067.19von der Muehll, R.
Structure cristalline de la phase Sr3 (Fe F6)2
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1974, 278, 713-715
1527712 CIFCe3 Ge4.7I 4112.669; 12.669; 14.208
90; 90; 90		2280.44Lambert-Andron, B.; Houssay, E.; Madar, R.; Hippert, F.; Pierre, J.; Auffret, S.
Crystal structure and properties of tetragonal Ce Ge1.6
Journal of the Less-Common Metals, 1990, 167, 53-63
1531949 CIFBi0.875 O1.688 W0.125I 4112.513; 12.513; 11.231
90; 90; 90		1758.5Nespolo, M.; Watanabe, A.; Suetsugu, Y.
Re-investigation of the structure of 7(Bi2 O3) * 2(W O3) by single-crystal X-ray diffraction
Crystal Research and Technology, 2002, 37, 414-422
1537320 CIFAs NbI 413.4517; 3.4517; 11.68
90; 90; 90		139.158Furuseth, S.; Kjekshus, A.
Arsenides and Antimonides of Niobium
Nature (London), 1964, 203, 512-512
1555541 CIFC20 H27 O3.5I 4119.7536; 19.7536; 9.0366
90; 90; 90		3526.1Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua
Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.
Organic letters, 2016, 18, 2166-2169
1560716 CIFC8 H12 Cu2 N17 O4I 4111.85; 11.85; 13.084
90; 90; 90		1837.3Guo, Zhaoqi; Liu, Xuemin; Chen, Xiang; Zhang, Cong; Yang, Guoping; Zhang, Yazhou; Ma, Haixia
Design and synthesis of two energetic coordination polymers based on copper ion and 1H,1′H-[5,5′-bitetrazole]-1,1′-diol: A comparative study of the structure-property relationships
Journal of Solid State Chemistry, 2018, 268, 55-61
1565225 CIFC60 H96 Cl2 Cu4 N4 O17I 4130.491; 30.491; 15.224
90; 90; 90		14154Dasgupta, Sanchari; Mandal, Arnab; Samanta, Debabrata; Zangrando, Ennio; Maity, Suvendu; Das, Debasis
Catalytic promiscuity of a copper(II)-Mannich base complex having unprecedented radical pathway in catecholase activity
Inorganica Chimica Acta, 2020, 505, 119480
1567195 CIFC12 H6 N6 S ZnI 4116.549; 16.549; 12.4563
90; 90; 90		3411.4Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing
Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.
Chemical science, 2022, 13, 8036-8044
1569850 CIF
Paper		C34 H42 N4 O8I 4113.632; 13.632; 17.507
90; 90; 90		3253.4Stapf, Manuel; Schwarzer, Anke
N,N′-[1,4-Phenylenebis(iminocarbonyl)]bis(L-phenylalanine) tetrahydrofuran disolvate
IUCrData, 2023, 8
1570769 CIFC130 H148 Cl4 Cu4 N16I 4110.8836; 10.8836; 47.541
90; 90; 90		5631.4Kazmierczak, Nathanael P.; Lopez, Nathan E.; Luedecke, Kaitlin M.; Hadt, Ryan G.
Determining the key vibrations for spin relaxation in ruffled Cu(ii) porphyrins <i>via</i> resonance Raman spectroscopy.
Chemical science, 2024, 15, 2380-2390
2012950 CIF
Paper		C10 H16 N8 O3I 419.7451; 9.7451; 14.1764
90; 90; 90		1346.29Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J.
1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole
Acta Crystallographica Section C, 2002, 58, o565-o567
2013047 CIF
HKL
Paper		C13 H15 Cl N2 PdI 4118.511; 18.511; 15.698
90; 90; 90		5379Calmuschi, Beatrice; Englert, Ulli
(<i>R</i>)-Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)}, (<i>R</i>)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} and [<i>SP</i>-4-4]-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]chloro(pyridine-κ<i>N</i>)palladium(II)
Acta Crystallographica Section C, 2002, 58, m545-m548
2020426 CIF
HKL
Paper		C4 H8 Fe Na O12I 419.8572; 9.8572; 10.7595
90; 90; 90		1045.44Benhacine, Mohamed Al Amine; Hamadène, Malika; Bouacida, Sofiane; Merazig, Hocine
The new one-dimensional coordination polymer <i>catena</i>-poly[[diaquasodium(I)]-μ-oxalato-[diaquairon(III)]-μ-oxalato]
Acta Crystallographica Section C, 2016, 72, 243-250
2104157 CIF
Paper		C48 H72 O20 Si16I 4121.1698; 21.1698; 16.059
90; 90; 90		7197Slebodnick, Carla; Angel, Ross J.; Hanson, Brian E.; Agaskar, Pradyot A.; Soler, Tatiana; Falvello, Larry R.
Disorder and pseudo-symmetry in octakis(trivinylsilyl)octasilicate
Acta Crystallographica Section B, 2008, 64, 330-337
2104686 CIF
Paper		Bi35.66 O66.51 W4.34I 4112.5576; 12.5576; 11.274
90; 90; 90		1777.83Sharma, Neeraj; Macquart, Rene B.; Avdeev, Maxim; Christensen, Mogens; McIntyre, Garry J.; Chen, Yu-Sheng; Ling, Chris D.
Re-investigation of the structure and crystal chemistry of the Bi~2~O~3~‒W~2~O~6~ `type (Ib)' solid solution using single-crystal neutron and synchrotron X-ray diffraction
Acta Crystallographica Section B, 2010, 66, 165-172
2108297 CIFC15 H11 I N4I 4115.0197; 15.0197; 12.8791
90; 90; 90		2905.41Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck
Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane
Acta Crystallographica Section B, 2018, 74
2204673 CIF
HKL
Paper		C12 H10 Br2 TeI 4111.4345; 11.4345; 9.8068
90; 90; 90		1282.22Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Mitchell, Cassandra
Dibromodiphenyltellurium(IV)
Acta Crystallographica Section E, 2004, 60, o2511-o2512
2212337 CIF
HKL
Paper		C28 H26 O2I 4111.5777; 11.5777; 16.2234
90; 90; 90		2174.6Ricken, Stefan; Angelovski, Goran; Schürmann, Markus; Preut, Hans; Eilbracht, Peter
(<i>S</i>)-(‒)-2,2'-Bis(2-methylallyloxy)-1,1'-binaphthyl
Acta Crystallographica Section E, 2007, 63, o551-o552
2216290 CIF
HKL
Paper		C19 H18 Cd N12 O3I 4112.3477; 12.3477; 14.7379
90; 90; 90		2247Minna Cao; Bo Hu; Feihua Luo; Cuixia Cheng; Zongqiu Hu
Tris(2,2'-bi-1<i>H</i>-imidazole)cadmium(II) carbonate
Acta Crystallographica Section E, 2007, 63, m2927-m2927
2218468 CIF
HKL
Paper		C5 H12 O4I 4112.9873; 12.9873; 8.3679
90; 90; 90		1411.41Jenkinson, Sarah F.; Cruz, Filipa P.; Booth, Kathrine V.; Fleet, George W. J.; Izumori, Ken; Yu, Chu-Yi; Watkin, David J.
1-Deoxy-<small>D</small>-arabinitol
Acta Crystallographica Section E, 2008, 64, o1010-o1011
2221628 CIF
HKL
Paper		C26 H22 O2I 4111.7167; 11.7167; 14.583
90; 90; 90		2002Ge, Jia-Zhen; Li, Hui
2,2'-Bis(allyloxy)-1,1'-binaphthyl
Acta Crystallographica Section E, 2009, 65, o1179
2228225 CIF
HKL
Paper		Ca4.175 Nd6.825 O24 Ru4I 4111.2426; 11.2426; 16.1043
90; 90; 90		2035.52Sakakura, Terutoshi; Okada, Keita; Iguchi, Hironaga; Wang, Jun; Ishizawa, Nobuo
(Ca~<i>x~</i>Nd~11-<i>x~</i>)Ru~4~O~24~ (<i>x</i> = 4.175)
Acta Crystallographica Section E, 2010, 66, i80
2233011 CIF
HKL
Paper		C24 H20 N2 O2I 4111.6548; 11.6548; 13.9171
90; 90; 90		1890.4Zeng, Jing; Ng, Seik Weng
<i>rac</i>-<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-(1,1'-binaphthyl-2,2'-diyl)diformamide
Acta Crystallographica Section E, 2011, 67, o3227
4020282 CIFC23 H22 Br4 Cl3 N4 O4.5I 4120.153; 20.153; 14.202
90; 90; 90		5767.8Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood
Journal of Organic Chemistry, 2005, 70, 5055-5061
4022537 CIFC30 H31 F3 O5I 4120.437; 20.437; 16.81
90; 90; 90		7021Noa Seri; Samah Simaan; Mark Botoshansky; Menahem Kaftory; Silvio E. Biali
A Conformationally Flexible Tetrahydroxycalix[4]arene Adopting the Unusual 1,3-Alternate Conformation
Journal of Organic Chemistry, 2003, 68, 7140-7142
4027099 CIFC26 H31 Br N2 O9 SI 4120.639; 20.639; 13.164
90; 90; 90		5607Qi-Xiang Guo; Yu-Wan Liu; Xing-Cheng Li; Ling-Zhi Zhong; Yun-Gui Peng
Enantioselective and Solvent-Controlled Diastereoselective Mannich Reaction of Isatin Imines with Hydroxyacetone: Synthesis of 3-Substituted 3-Aminooxindoles
Journal of Organic Chemistry, 2012, 77, 3589-3594
4034416 CIFC24 H30 N2 O5I 4116.4812; 16.4812; 16.0775
90; 90; 90		4367.13Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.
Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.
The Journal of organic chemistry, 2019, 84, 9671-9683
4034417 CIFC23 H28 N2 O5I 4116.4674; 16.4674; 15.659
90; 90; 90		4246.33Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.
Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.
The Journal of organic chemistry, 2019, 84, 9671-9683
4034418 CIFC23 H28 N2 O6I 4116.3993; 16.3993; 15.9819
90; 90; 90		4298.12Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.
Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.
The Journal of organic chemistry, 2019, 84, 9671-9683
4060454 CIFC40 H72 Al2 N6 O7 Si4I 4114.498; 14.498; 52.767
90; 90; 90		11091.2Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.
Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate
Organometallics, 2005, 24, 2124-2128
4063564 CIFC56 H47 Ir N4 O2I 4119.2067; 19.2067; 25.478
90; 90; 90		9398.8Cheung, Chi Wai; Chan, Kin Shing
Base-Promoted Selective Aryl C‒Br and C‒I Bond Cleavage by Iridium(III) Porphyrin: Reduction of IrIII‒OH to IrIIfor Metalloradical Ipso Substitution of Aryl‒Halogen Bonds
Organometallics, 2011, 30, 4269
4067622 CIFC27 H25 F6 N3I 4114.9916; 14.9916; 11.1077
90; 90; 90		2496.4Zhu, Di; Janssen, Femke F. B. J.; Budzelaar, Peter H. M.
(Py)2Co(CH2SiMe3)2As an Easily Accessible Source of “CoR2”
Organometallics, 2010, 29, 1897
4071578 CIFC14 H17 I N2 PtI 4119.0287; 19.0287; 16.3448
90; 90; 90		5918.3Calmuschi-Cula, Beatrice; Englert, Ulli
Orthoplatination of Primary Amines
Organometallics, 2008, 27, 3124
4071579 CIFC15 H19 I N2 PtI 4118.99; 18.99; 17.965
90; 90; 90		6479Calmuschi-Cula, Beatrice; Englert, Ulli
Orthoplatination of Primary Amines
Organometallics, 2008, 27, 3124
4071580 CIFC14 H16 F I N2 PtI 4119.091; 19.091; 16.95
90; 90; 90		6177.7Calmuschi-Cula, Beatrice; Englert, Ulli
Orthoplatination of Primary Amines
Organometallics, 2008, 27, 3124
4074167 CIFC64 H65 N4 O Rh SiI 4128.4903; 28.4903; 14.7397
90; 90; 90		11964.2Zhang, Lirong; Chan, Kin Shing
Facile Synthesis of Rhodium(III) Porphyrin Silyls by Silicon−Hydrogen Bond Activation with Rhodium(III) Porphyrin Halides and Methyls
Organometallics, 2006, 25, 4822
4079383 CIFC14 H28 I2 P2 PtI 4119.7843; 19.7843; 10.6175
90; 90; 90		4155.9Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.
Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation
Organometallics, 2012, 31, 6900
4101053 CIFC21 H28 N2 O7I 4117.5448; 17.5448; 15.1596
90; 90; 90		4666.43Journal of the American Chemical Society, 2006
4104053 CIFC12 H12 N8 Zn2I 4122.7482; 22.7482; 13.0168
90; 90; 90		6735.9Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard
Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study
Journal of the American Chemical Society, 2009, 131, 4022-4026
4110757 CIFC117 H46 N Sc3 Si2I 4120.4678; 20.4678; 15.804
90; 90; 90		6620.8Takatsugu Wakahara; Yuko Iiduka; Ozora Ikenaga; Tsukasa Nakahodo; Akihiro Sakuraba; Takahiro Tsuchiya; Yutaka Maeda; Masahiro Kako; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase
Characterization of the Bis-Silylated Endofullerene Sc3N@C80
Journal of the American Chemical Society, 2006, 128, 9919-9925

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