Crystallography Open Database

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7062764 CIFC71 H60 Cl2 N4 O5 P2 Ru S2P m n 2116.9228; 10.5794; 18.136
90; 90; 90		3246.94Singh, Aditi; Seikh, Liton; Dey, Sanchaita; Lahiri, Goutam Kumar
Ruthenium-hydride-mediated stabilisation of the azo anion radical of azobis(benzothiazole) and its reversible electron-reservoir feature
New Journal of Chemistry, 2023, 47, 19428-19438
7063232 CIFC40 H32 Cu N O P2P m n 2117.3563; 11.8638; 8.1509
90; 90; 90		1678.37Moussa, J.; Gontard, G.
Novel heteroleptic copper(i) complexes merging the chelating 1,2-bis-diphenyldiphosphine and various L^X type coligands
New Journal of Chemistry, 2024, 48, 12162-12165
7100560 CIFC28 H26 Ag Cl3 N8 O5.74P m n 2143.826; 5.2608; 14.096
90; 90; 90		3250Jonathan Steed; Lucas Applegarth; Nigel Clark; Andres E. Goeta; Judith A.K. Howard; Andrew D.M. Parker; Ivana Radosavljevic-Evans; Christine Richardson
Modular Nanometer-Scale Structuring of Gel Fibres by Sequential Self-Organization
Chemical Communications, 2005
7103420 CIFC30 H45 Cl2 N20 O17.5P m n 2114.28; 11.56; 13.183
90; 90; 90		2176.2Bardelang, David; Udachin, Konstantin A; Anedda, Roberto; Moudrakovski, Igor; Leek, Donald M; Ripmeester, John A; Ratcliffe, Christopher I
Single-crystal to single-crystal phase transition of cucurbit[5]uril hydrochloride hydrates: large water-filled channels transforming to layers of unusual stability.
Chemical communications (Cambridge, England), 2008, 4927-4929
7104530 CIFC14 H31 B2 O ScP m n 2113.8226; 8.066; 7.6377
90; 90; 90		851.55Bonnet, Fanny; Da Costa Violante, Cristina; Roussel, Pascal; Mortreux, André; Visseaux, Marc
Unprecedented dual behaviour of a half-sandwich scandium-based initiator for both highly selective isoprene and styrene polymerisation.
Chemical communications (Cambridge, England), 2009, 34, 3380-3382
7108012 CIFC5 H15 Cl P2P m n 219.4581; 6.5601; 7.306
90; 90; 90		453.31Saurabh S. Chitnis; Elizabeth MacDonald; Neil Burford; Ulrike Werner-Zwanziger; Robert McDonald
P-P Menschutkin preparation of prototypical phosphinophosphonium salts
Chem.Commun., 2012, 48, 7359
7110363 CIFC14 H23 Cl2 Ga N2P m n 2110.2217; 12.2916; 6.462
90; 90; 90		811.89Luo, Bing; Young Jr., Victor G.; Gladfelter, Wayne L.
Syntheses and structures of quinuclidine-stabilized four- and five-coordinate mono- and di-chlorogallane
Chemical Communications, 1999, 123
7111784 CIFC31 H43 Eu I N2 O4P m n 2117.7513; 8.7645; 10.3139
90; 90; 90		1604.65Wiecko, Michal; Deacon, Glen B.; Junk, Peter C.
Organolanthanoid-halide synthons—a new general route to monofunctionalized lanthanoid(ii) compounds?
Chemical Communications, 2010, 46, 5076-5078
7111785 CIFC31 H43 I N2 O4 YbP m n 2117.6761; 8.7327; 10.1877
90; 90; 90		1572.57Wiecko, Michal; Deacon, Glen B.; Junk, Peter C.
Organolanthanoid-halide synthons—a new general route to monofunctionalized lanthanoid(ii) compounds?
Chemical Communications, 2010, 46, 5076-5078
7120459 CIFC14 H31 B2 Co F8 N5P m n 218.794; 14.351; 16.856
90; 90; 90		2127Cui, Hui-Hui; Wang, Jing; Chen, Xue-tai; Xue, Zi-Ling
Slow magnetic relaxation in five-coordinate spin-crossover cobalt(II) complexes
Chem. Commun., 2017
7122466 CIFC16 H16 Au2 N10P m n 216.2753; 8.0957; 18.757
90; 90; 90		952.91Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei
Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.
Chemical communications (Cambridge, England), 2018, 54, 12844-12847
7122468 CIFC16 H16 Au2 N10P m n 216.3306; 8.141; 18.7077
90; 90; 90		964.15Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei
Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.
Chemical communications (Cambridge, England), 2018, 54, 12844-12847
7122469 CIFC16 H16 Au2 N10P m n 216.2961; 8.1146; 18.7357
90; 90; 90		957.21Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei
Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.
Chemical communications (Cambridge, England), 2018, 54, 12844-12847
7130350 CIFC35 H80 Br15 N10 Rb5P m n 2148.9591; 6.8436; 9.8667
90; 90; 90		3305.9Han, Keke; Zhang, Mengxia; Wei, Zhenhong; Ye, Xing; Rao, Wenjun; Zhang, Haina; Cai, Hu
Precise design and preparation of two 3D organic−inorganic perovskite ferroelectrics (1,5-diazabicyclo[3.2.2]nonane)RbX3 (X = Br, I)
Chemical Communications, 2022
7130869 CIFB2 Be2 O6 PbP m n 2110.737; 4.7501; 4.5368
90; 90; 90		231.39Chen, Yi-Gang; Jiang, Xingxing; Yang, Yuanyu; Dai, Zhe; Lin, Zheshuai; Zhang, Xian-Ming
PbBe2B2O6: An Excellent Ultraviolet Nonlinear-Optical Crystal with Unprecedented π-π Interacting BeBO5 Group
Chemical Communications, 2022
7132367 CIFC19 H23 Co F6 N2 O3 SP m n 2110.9754; 9.2478; 11.0627
90; 90; 90		1122.85Zou, Minzhu; Waldie, Kate MacKenzie
Redox-Active Ligand Promoted Electrophile Addition at Cobalt
Chemical Communications, 2023
7151433 CIF?P m n 2118.713; 9.553; 4.831
90; 90; 90		863.6Levy, Amalia; Cohen, Shmuel; Agranat, Israel
Overcrowded 1,8-diazafluorenylidene-chalcoxanthenes. Introducing nitrogens at the fjord regions of bistricyclic aromatic enes
Organic & Biomolecular Chemistry, 2003, 1, 2755
7151434 CIF?P m n 2118.811; 9.702; 4.639
90; 90; 90		846.6Levy, Amalia; Cohen, Shmuel; Agranat, Israel
Overcrowded 1,8-diazafluorenylidene-chalcoxanthenes. Introducing nitrogens at the fjord regions of bistricyclic aromatic enes
Organic & Biomolecular Chemistry, 2003, 1, 2755
7154304 CIFC66 H70 N2 O4 S4P m n 2115.1668; 14.7772; 12.7612
90; 90; 90		2860.1Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Teat, Simon J.; Yamato, Takehiko
The first study about the relationship between the extractability of thiacalix[4]arene derivatives and the position of the coordination binding sites.
Organic & biomolecular chemistry, 2015, 13, 3476-3483
7158229 CIFC21 H19 B N2 O5P m n 2114.507; 9.3436; 14.134
90; 90; 90		1915.8Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro
Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules
Organic & Biomolecular Chemistry, 2021, 19, 7369-7373
7200985 CIFC6 H12 Ag2 Cl N3 O0 S2P m n 2114.9; 6.4724; 6.4724
90; 90; 90		624.2Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong
Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand
CrystEngComm, 2009, 11, 1615
7202687 CIFC13 H6 F4 I NP m n 2112.0266; 10.2443; 4.9988
90; 90; 90		615.87Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore
Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions
CrystEngComm, 2007, 9, 421
7206425 CIFC17 H33 N5 O4P m n 2151.63; 4.7775; 4.129
90; 90; 90		1018.47Duong, Adam; Maris, Thierry; Wuest, James D.
Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids
CrystEngComm, 2011, 13, 5571
7209486 CIFB4 Ca O7P m n 2110.584; 4.3694; 4.1935
90; 90; 90		193.931Huppertz, H.
beta-(Ca B4 O7): a new polymorph synthesized under high-pressure/high-temperature conditions
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2003, 58, 257-265
7209503 CIFB4 Hg O7P m n 2110.656; 4.381; 4.1872
90; 90; 90		195.475Huppertz, H.; Weil, M.; Emme, H.
High-Pressure Synthesis and Crystal Structure of the New Orthorhombic Polymorph beta-Hg B4 O7
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2005, 60, 815-820
7214711 CIFC31 H106 N Na5 O55 P4P m n 2116.2938; 16.3581; 16.329
90; 90; 90		4352.26Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.
Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers
CrystEngComm, 2012, 14, 8541
7215319 CIFC4 H5 N3 O2 ZnP m n 219.303; 8.413; 8.161
90; 90; 90		638.7Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen
Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures
CrystEngComm, 2011, 13, 3536
7216545 CIFC11 H18 N8 O3P m n 219.5289; 9.1191; 8.667
90; 90; 90		753.12Gryl, M.; Seidler, T.; Stadnicka, K.; Matulková, I.; Němec, I.; Tesařová, N.; Němec, P.
The crystal structure and optical properties of a pharmaceutical co-crystal ‒ the case of the melamine‒barbital addition compound
CrystEngComm, 2014, 16, 5765
7222682 CIFHg O4 SeP m n 216.7311; 4.9308; 4.989
90; 90; 90		165.583Weil, M.
Hydrothermal single crystal growth and crystal structures of the mercury(II) selenates(VI) Hg Se O4, Hg Se O4 * (Hg O) and Hg Se O4 * 2(Hg O)
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2002, 57, 1043-1050
7233118 CIFCu3 P S0.71 Se3.29P m n 217.6164; 6.5945; 6.3107
90; 90; 90		316.96Vorranutch Itthibenchapong; Robert S. Kokenyesi; Andrew J. Ritenour; Lev N. Zakharov; Shannon W. Boettcher; John F. Wagerd; Douglas A. Keszler
Earth-abundant Cu-based chalcogenide semiconductors as photovoltaic absorbers
Journal of Materials Chemistry C, 2013, 1, 657-652
7233119 CIFCu3 P S1.89 Se2.11P m n 217.5034; 6.4951; 6.2174
90; 90; 90		303.01Vorranutch Itthibenchapong; Robert S. Kokenyesi; Andrew J. Ritenour; Lev N. Zakharov; Shannon W. Boettcher; John F. Wagerd; Douglas A. Keszler
Earth-abundant Cu-based chalcogenide semiconductors as photovoltaic absorbers
Journal of Materials Chemistry C, 2013, 1, 657-652
7233222 CIFB3 Be La O7P m n 2110.669; 4.4434; 4.2996
90; 90; 90		203.83Xue Yan; Siyang Luo; Zheshuai Lin; Yinchao Yue; Xiaoyang Wang; Lijuan Liuab; Chuangtian Chenab
LaBeB3O7: a new phase-matchable nonlinear optical crystal exclusively containing the tetrahedral XO4 (X = B and Be) anionic groups
Journal of Materials Chemistry C, 2013, 1, 3616-3622
7233480 CIFB Ba Cl F4P m n 215.228; 9.351; 4.734
90; 90; 90		231.4Min Zhang; Shilie Pan; Zhihua Yang; Ying Wang; Xin Su; Yun Yang; Zhenjun Huang; Shujuan Han; Kenneth R. Poeppelmeier
BaClBF4: a new noncentrosymmetric pseudo-Aurivillius type material with transparency range from deep UV to middle IR and a high laser damage threshold
Journal of Materials Chemistry C, 2013, 1, 4740-4745
7233612 CIFCl O8 P Pr4P m n 2113.1523; 5.8211; 5.8211
90; 90; 90		445.67Hamdi Ben Yahia; Ute Ch. Rodewald; Claus Feldmann; Marcus Roming; Francois Weill; Rainer Pottgen
X-Ray diffraction and SAED characterisations of RE4O4[PO4]Cl (RE = La, Pr, and Nd) and photoluminescence properties of Eu3±doped La4O4[PO4]Cl
Journal of Materials Chemistry C, 2014, 2, 1131-1140
7233864 CIFCl Cu H3 O3 SrP m n 2116.131; 6.4733; 6.5363
90; 90; 90		682.5Teng-Teng Zhu; Wei Sun; Ya-Xi Huang; Zhi-Mei Sun; Yuanming Pan; Leon Balents; Jin-Xiao Mi
Strong spin frustration from isolated triangular Cu(ii) trimers in SrCu(OH)3Cl with a novel cuprate layer
Journal of Materials Chemistry C, 2014, 2, 8170-8178
7234558 CIFC38 H25 F N4P m n 2133.005; 3.7442; 10.782
90; 90; 90		1332.4Takahiro Kamata; Hisahiro Sasabe; Yuichirio Watanabe; Daisuke Yokoyama; Hiroshi Katagiri; Junji Kido
A series of fluorinated phenylpyridine-based electron-transporters for blue phosphorescent OLEDs
Journal of Materials Chemistry C, 2016, 4, 1104-1110
7235038 CIFH12 Mg O10 P RbP m n 216.896; 6.191; 11.341
90; 90; 90		484.2Yuqiao Zhou; Liling Cao; Chensheng Lin; Min Luo; Tao Yan; Ning Ye; Wendan Cheng
AMgPO4.6H2O (A = Rb, Cs): strong SHG responses originated from orderly PO4 groups
Journal of Materials Chemistry C, 2016, 4, 9219-9226
7237909 CIFC8 H20 Cl5 N2 SbP m n 218.5385; 11.0894; 17.9031
90; 90; 90		1695.19Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard
Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)
Journal of Materials Chemistry C, 2019, 7, 10360
7239728 CIFC112 H106 Co5 N28 O28P m n 2152.46; 7.211; 19.47
90; 90; 90		7365.3Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming
Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene
CrystEngComm, 2020, 22, 811-820
7241190 CIFC23 H18 O17 Zn3P m n 2117.6198; 11.9264; 14.1457
90; 90; 90		2972.59Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya
Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand
CrystEngComm, 2020
7241870 CIFH10 Ni O15 S1.38 Se0.62 UP m n 2112.8182; 8.2926; 11.3803
90; 90; 90		1209.68Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241874 CIFH10 Ni O15 S2 UP m n 2112.7506; 8.3095; 11.2929
90; 90; 90		1196.5Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241875 CIFH10 Ni O15 S1.2 Se0.8 UP m n 2112.8291; 8.2825; 11.3826
90; 90; 90		1209.48Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241879 CIFH10 Ni O15 S1.85 Se0.15 UP m n 2112.7808; 8.2806; 11.3074
90; 90; 90		1196.69Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241881 CIFCo H10 O15 S2 UP m n 2112.916; 8.296; 11.2937
90; 90; 90		1210.13Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241882 CIFH10 Ni O15 S1.64 Se0.35 UP m n 2112.783; 8.2863; 11.3033
90; 90; 90		1197.29Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241883 CIFH10 O15 S2 U ZnP m n 2112.8695; 8.28206; 11.292
90; 90; 90		1203.57Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7247218 CIFC13 H18 N4 O5 SP m n 2120.0136; 8.2017; 9.831
90; 90; 90		1613.71Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.
Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism
CrystEngComm, 2023, 25, 5118-5132
7706792 CIFAg1.5 Cu1.5 P S4P m n 217.718; 6.562; 6.318
90; 90; 90		320Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui
A series of M<sub>3</sub>PS<sub>4</sub> (M = Ag, Cu and Ag/Cu) thiophosphates with diamond-like structures exhibiting large second harmonic generation responses and moderate ion conductivities.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 4129-4132
7706793 CIFAg3 P S4P m n 217.6383; 6.8528; 6.4976
90; 90; 90		340.11Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui
A series of M<sub>3</sub>PS<sub>4</sub> (M = Ag, Cu and Ag/Cu) thiophosphates with diamond-like structures exhibiting large second harmonic generation responses and moderate ion conductivities.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 4129-4132

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