Crystallography Open Database

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9011315 CIFCa2 Co0.9 O7 Si2 Zn0.1P -423.518; 23.518; 5.0263
90; 90; 90
2780.03Jia, Z. H.; Schaper, A. K.; Massa, W.; Treutmann, W.; Rager, H.
Structure and phase transitions in Ca2CoSi2O7-Ca2ZnSi2O7 solid-solution crystals
Acta Crystallographica, Section B, 2006, 62, 547-555
8103584 CIFCa2 Co O1.66667 Si2P -423.46; 23.46; 5.015
90; 90; 90
2760.11Riester, M.; Boehm, H.; Petricek, V.
The commensurately modulated structure of the lock-in phase of synthetic Co-akermanite, Ca2 Co Si2 O7
Zeitschrift fuer Kristallographie (149,1979-), 2000, 215, 102-109
8103578 CIFAg2 H6 N4 O4P -49.633; 9.633; 8.33
90; 90; 90
772.98Maurer, H.M.; Weiss, A.
The crystal structure of diamminesilver dinitroargentate (Ag (N H3)2) Ag (N O2)2
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979), 1977, 146, 227-240
7713681 CIFC88 H92 Ga2 N6 O4P -419.493; 19.493; 10.5729
90; 90; 90
4017.46Wang, Bing; Chen, Wenhao; Yang, Jiangnan; Lu, Linfang; Liu, Jiyong; Shen, Liang; Wu, Di
N-heterocyclic imine-based bis-gallium(I) carbene analog featuring a four-membered Ga2N2 ring
Dalton Transactions, 2023
7712389 CIFC31 H85 Ba Br N4 O43.5 S12 V12P -419.636; 19.636; 10.9821
90; 90; 90
4234.4Repp, Stefan; Junginger, Kim; Sorsche, Dieter; Zorn, Theresa; Poppler, Ann-Christin; Kikukawa, Yuji; Hayashi, Yoshihito; Streb, Carsten
Mechanistic insights into template-driven polyoxovanadate self-assembly: the role of internal and external templates
Dalton Transactions, 2023
7710572 CIFC36 H44 OsP -411.904; 11.904; 10.58
90; 90; 90
1499.2Parr, Joseph Michael; Olivar, Clarissa; Saal, Thomas; Haiges, Ralf; Inkpen , Michael Stephen
Pushing steric limits in osmium(IV) tetraaryl complexes
Dalton Transactions, 2022
7704170 CIFC14 H34 Be1.5 Cl7 N2P -414.0352; 14.0352; 12.0689
90; 90; 90
2377.41Buchner, Magnus R.; Müller, Matthias; Spang, Nils
Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 7708-7712
7703505 CIFC52 H72 N8P -417.703; 17.703; 14.619
90; 90; 90
4581.5Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 3112-3119
7247882 CIFC10 H3.5 Cl0.5 N6.5 O18P -423.43538; 23.43538; 12.3915
90; 90; 90
6805.62Muromachi, Sanehiro; Takeya, Satoshi
Guest size effects on a robust structure of semiclathrate hydrates and their thermophysical properties.
Physical chemistry chemical physics : PCCP, 2024, 26, 3315-3321
7243658 CIFC140.3 H117.1 N4 Ni O8P -420.4751; 20.4751; 13.4593
90; 90; 90
5642.5Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie
Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin
CrystEngComm, 2021, 23, 7565-7569
7239735 CIFC44 H48 O8P -418.4376; 18.4376; 11.2852
90; 90; 90
3836.3Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei
Weak intermolecular interaction directed assembly of calix[4]arene derivatives
CrystEngComm, 2019, 21, 7114
7235554 CIFC19 H17 N3 O SP -419.258; 19.258; 9.374
90; 90; 90
3476.5Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy
DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands
RSC Advances, 2014, 4, 17179
7233481 CIFC33 H24 Ir N3P -423.504; 23.504; 9.1114
90; 90; 90
5033.5Ping Wang; Fei-Fei Wang; Yi Chen; Qiang Niu; Lei Lu; Hong-Ming Wang; Xi-Cun Gao; Bin Wei; Hong-Wei Wu; Xin Cai; De-Chun Zou
Synthesis of all-deuterated tris(2-phenylpyridine)iridium for highly stable electrophosphorescence: the "deuterium effect"
Journal of Materials Chemistry C, 2013, 1, 4821-4825
7231935 CIFC44 H48 O12P -417.9565; 17.9565; 12.1543
90; 90; 90
3919Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
CrystEngComm, 2019, 21, 439
7225810 CIFC28 H41.7 N12.4 O18.45 Zn4P -414.952; 14.952; 9.0826
90; 90; 90
2030.5Xiao, Yu; Wang, Shuai-Hua; Xu, Jian-Gang; Sun, Cai; Li, Rong; Zhao, Ya-Ping; Yan, Yong; Zheng, Fa-Kun; Guo, Guo-Cong
An enhanced extended hook method to realize tetranuclear metal clusters embedded in energetic metal‒organic framework channels
CrystEngComm, 2016, 18, 5803
7217888 CIFC19 H94 N O33.7P -423.361; 23.361; 12.248
90; 90; 90
6684.2Muromachi, Sanehiro; Abe, Toru; Yamamoto, Yoshitaka; Takeya, Satoshi
Hydration structures of lactic acid: characterization of the ionic clathrate hydrate formed with a biological organic acid anion.
Physical chemistry chemical physics : PCCP, 2014, 16, 21467-21472
7210927 CIFC48 H48 Cd F4 N12 O12 SP -418.1493; 18.1493; 7.9703
90; 90; 90
2625.4Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut
Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations
CrystEngComm, 2013, 15, 9472
7210591 CIFC65 H67 N11 O22 Zn4P -414.789; 14.789; 17.044
90; 90; 90
3727.8Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui
Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand
CrystEngComm, 2013, 15, 8069
7206358 CIFC59 H52 N4 O14 S2P -412.114; 12.114; 8.9974
90; 90; 90
1320.36Dominic Laliberté; Thierry Maris; James D. Wuest
Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers
CrystEngComm, 2005, 7, 158-160
7203434 CIFC12 H16 Ca Co2 N4 O16P -48.898; 8.898; 7.679
90; 90; 90
608Cédric Borel; Mikael Håkansson; Lars Öhrström
Coordination bonds and strong hydrogen bonds giving a framework material based on a 4- and 8-connected net in [Ca[Co(en)(oxalato)<small><sub>2</sub></small>]<small><sub>2</sub></small>]<small><sub><i>n</i></sub></small>
CrystEngComm, 2006, 8, 666
7203212 CIFC36 H46 Cl6 O16 P4P -412.4153; 12.4153; 7.3494
90; 90; 90
1132.8Jones, Katherine M. E.; Mahmoudkhani, Amir H.; Chandler, Brett D.; Shimizu, George K. H.
An adamantane-based tetraphosphonic acid that forms an open diamondoid net via a hydrogen-bonded phosphonic acid?water cluster
CrystEngComm, 2006, 8, 303
7154466 CIFC26 H27 N3P -416.449; 16.449; 8.4714
90; 90; 90
2292.1Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.
Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.
Organic & biomolecular chemistry, 2015, 13, 6183-6193
7151740 CIFC24 H23 Br N2 O6P -429.508; 29.508; 12.139
90; 90; 90
10569.7Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying
The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.
Organic & biomolecular chemistry, 2011, 9, 2166-2174
7151463 CIFC11 H14 Se2P -415.4224; 15.4224; 4.8824
90; 90; 90
1161.3Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf
Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions
Organic & Biomolecular Chemistry, 2003, 1, 2788
7150752 CIFC70 H56 Cl12 N12P -421.97; 21.97; 6.972
90; 90; 90
3365.3Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan
Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies
Organic & Biomolecular Chemistry, 2009, 7, 4734-4743
7111748 CIFC40 H36 Fe4 P4P -411.652; 11.652; 6.2473
90; 90; 90
848.2Naseri, Vesal; Less, Robert J.; Mulvey, Robert E.; McPartlin, Mary; Wright, Dominic S.
Stoichiometric and catalytic Sn-mediated dehydrocoupling of primary phosphines
Chemical Communications, 2010, 46, 5000-5002
7111508 CIFC48 H88 Ce N4P -421.1876; 21.1876; 10.3198
90; 90; 90
4632.7Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.
Facile formation of a homoleptic Ce(iv) amide via aerobic oxidation
Chemical Communications, 2006, 3546-3548
7102351 CIFCs5 P5 Se12P -413.9677; 13.9677; 7.5462
90; 90; 90
1472.2Chung, In; Jang, Joon I; Gave, Matthew A; Weliky, David P; Kanatzidis, Mercouri G
Low valent phosphorus in the molecular anions [P5Se12]5- and beta-[P6Se12]4-: phase change behavior and near infrared second harmonic generation.
Chemical communications (Cambridge, England), 2007, 4998-5000
7100610 CIFC108 H72 O48 P2 Pt38P -415.6156; 15.6156; 14.0477
90; 90; 90
3425.5Giuliano Longoni; Cristina Femoni; M. Carmela Iapalucci; Francesco Kaswalder; Marita Mehlstaubl; Stefano Zacchini
High-yield one-step synthesis in water of [Pt3n(CO)6n]2- (n>6) and [Pt38(CO)44]2-.
Chemical Communications, 2005
7059151 CIFC20.5 H33 B2 Cl Ir2 S7P -418.7466; 18.7466; 8.339
90; 90; 90
2930.6Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal
A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues
New Journal of Chemistry, 2020, 44, 674-683
7055728 CIFC10 H20 O2 Se Si2P -411.0742; 11.0742; 6.4127
90; 90; 90
786.44Masuda, Toshiyuki; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru
Facile synthesis of 2,5-bis(silyl)selenophene-1,1-dioxide and its photophysical properties
New J. Chem., 2016, 40, 8593
7052645 CIFC68 H110 N8 O25 Ru6 WP -424.609; 24.609; 15.7876
90; 90; 90
9561Mikuriya, Masahiro; Yoshioka, Daisuke; Borta, Ana; Luneau, Dominique; Matoga, Dariusz; Szklarzewicz, Janusz; Handa, Makoto
Molecule-based magnetic materials based on dinuclear ruthenium carboxylate and octacyanotungstate
New Journal of Chemistry, 2011, 35, 1226
7045725 CIFC37 H28 N4P -418.3763; 18.3763; 4.4365
90; 90; 90
1498.15bhol, Mamina; Shankar, Bhaskaran; Malaichamy, Sathiyendiran
Rhenium(I) based irregular pentagonal-shaped metallacavitands
Dalton Transactions, 2018
7038759 CIFC14 H22 Cu3 O16 P4P -416.134; 16.134; 4.5489
90; 90; 90
1184.1Hou, Xiaomin; Tang, Si-Fu
Speciation of metal phosphonates with the assistance of weak interactions.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 7349-7359
7025912 CIFC48 H44 Gd2 N2 O14P -420.0734; 20.0734; 9.1385
90; 90; 90
3682.28Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon
The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 7004-7011
7017903 CIFC24 H96 N18 Ni3 O51 Sb6 V15P -446.9378; 46.9378; 16.513
90; 90; 90
36380.7Antonova, Elena; Näther, Christian; Bensch, Wolfgang
Antimonato polyoxovanadates with structure directing transition metal complexes: pseudopolymorphic {Ni(dien)2}3[V15Sb6O42(H2O)]·nH2O compounds and {Ni(dien)2}4[V16Sb4O42(H2O)].
Dalton transactions (Cambridge, England : 2003), 2012, 41, 1338-1344
7016619 CIFC266 H222 B16 Cu8 F64 N74 O16P -422.1963; 22.1963; 40.289
90; 90; 90
19849.4Stephenson, Andrew; Ward, Michael D.
Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 10360-10369
7000829 CIFC62 H64 Al N6P -415.1771; 15.1771; 11.6305
90; 90; 90
2679Alexander, Sean G.; Cole, Marcus L.; Forsyth, Craig M.; Furfari, Samantha K.; Konstas, Kristina
Bulky triazenide complexes of alumino- and gallohydrides
Dalton Transactions, 2009, 2326-2336
7000305 CIFCl H56 Mo8 N12 O56 P9P -49.7148; 9.7148; 14.5615
90; 90; 90
1374.28Kotsapa, Eleni; Weller, Mark T.
[NH4]12[(MoO2)2O(HPO4)2]4[PO4]X, X = Cl, Br—new porous layer molybdenophosphates with embedded multiple anionic and cationic guests
Dalton Transactions, 2009, 418-420
4516697 CIFC168 H156 Cl4 N20 P4 Ru4P -419.0698; 19.0698; 9.8294
90; 90; 90
3574.5Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.
The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study
ACS Catalysis, 2016, 6, 4799
4508245 CIFC38 H64 Cl2 Cu N8 O20P -412.3335; 12.3335; 18.836
90; 90; 90
2865.2Mukherjee, Gargi; Biradha, Kumar
Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet
Crystal Growth & Design, 2013, 13, 4100
4506115 CIFC24 H24 Co N8 O6 SP -414.352; 14.352; 6.2985
90; 90; 90
1297.36Park, Ji Hye; Lee, Woo Ram; Ryu, Dae Won; Lim, Kwang Soo; Jeong, Eun A.; Phang, Won Ju; Koh, Eui Kwan; Hong, Chang Seop
Sulfate-Incorporated Co(II) Coordination Frameworks with Bis-imidazole Bridging Ligands Constructed by Covalent and Noncovalent Interactions
Crystal Growth & Design, 2012, 12, 2691
4505055 CIFC12 H16 Ag B F4 N4 O2P -49.006; 9.006; 5.6627
90; 90; 90
459.3Zhang, Jian; Li, Zhao-Ji; Kang, Yao; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen
Syntheses and Characterizations of Two Novel Silver(I) Complexes Constructed by Oxydipropionitrile Ligand
Crystal Growth & Design, 2005, 5, 73
4502356 CIFC22 H28 Cu3 N5 S2P -410.0509; 10.0509; 12.312
90; 90; 90
1243.77Chen, Shan-Ci; Yu, Rong-Min; Zhao, Zhen-Guo; Chen, Shu-Mei; Zhang, Qi-Sheng; Wu, Xiao-Yuan; Wang, Fei; Lu, Can-Zhong
A Series of Polynuclear Complexes of d10Metals With Interesting Luminescent Properties
Crystal Growth & Design, 2010, 10, 1155
4501545 CIFC12 H16 Cd Co2 N4 O16P -48.918; 8.918; 7.69
90; 90; 90
611.6Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars
Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]
Crystal Growth & Design, 2010, 10, 1971
4501543 CIFC12 H16 Ca Co2 N4 O16P -48.898; 8.898; 7.679
90; 90; 90
608Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars
Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]
Crystal Growth & Design, 2010, 10, 1971
4347176 CIFC58 H82 Cs2 Fe2 N6P -416.4609; 16.4609; 10.6149
90; 90; 90
2876.2McWilliams, Sean F.; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Mercado, Brandon Q.; Grubel, Katarzyna; Holland, Patrick L.
Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.
Inorganic chemistry, 2016, 55, 2960-2968
4341527 CIFC64 H48 Cu3 F18 N12 P3P -415.2881; 15.2881; 14.1017
90; 90; 90
3295.9Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi
Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.
Inorganic chemistry, 2014, 53, 10485-10497
4337279 CIFC60 H48 Cu4 N8 O16P -416.8827; 16.8827; 12.6346
90; 90; 90
3601.18Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure
Synthesis, structural characterization, and magnetic properties of a copper-gadolinium complex derived from a hydroxybenzohydrazide ligand.
Inorganic chemistry, 2014, 53, 2181-2187
4331567 CIFC49 H104.5 B Cl12 N12.5 O0 S0 Zr6P -423.7023; 23.7023; 13.7979
90; 90; 90
7751.6Beauvais, Laurance G.; Long, Jeffrey R.
Synthesis and Characterization of Prussian Blue Analogues Incorporating the Edge-Bridged Octahedral [Zr6BCl12]2+Cluster Core
Inorganic Chemistry, 2006, 45, 236-243

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