Crystallography Open Database

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7702788 CIFC6 H2 B2 Cl2 O4P -14.4108; 6.7612; 7.5147
105.64; 103.88; 91.38
208.56Aldridge, Simon; Calder, Richard J.; Rossin, Andrea; Dickinson, Anthony A.; Willock, David J.; Jones, Cameron; Evans, David J.; Steed, Jonathan W.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.
Linking of metal centres through boryl ligands: synthesis, spectroscopic and structural characterisation of symmetrically bridged boryl complexes
Journal of the Chemical Society, Dalton Transactions, 2002, 2020
7036573 CIFMn O3 PrP b n m5.4492; 5.813; 7.5856
90; 90; 90
240.283Sanchez, D.; Alonso, J.A.; Martinez-Lope, M.J.
Neutron-diffraction study of the Jahn-Teller transition in Pr Mn O3
Journal of the Chemical Society. Dalton Transactions, 2002, 2002, 4422-4425
7010278 CIFC4 H8 Ag2 N4 S2P -16.025; 6.232; 7.292
65.91; 77.87; 84.49
244.4Ren, Chun-Xia; Zhu, Hai-Liang; Yang, Guang; Chen, Xiao-Ming
Syntheses and crystal structures of five two-dimensional networks constructed from staircase-like silver(I) thiocyanate chains and bridging polyamines
Journal of the Chemical Society, Dalton Transactions, 2001, 85
7009225 CIFH8 Na O14 P2 V2P 16.293; 6.294; 6.844
107.04; 92.34; 90.13
258.9Yamase, Toshihiro; Makino, Haruyo
Crystal and electronic structures and magnetic susceptibility of the photochemically prepared layered vanadyl phosphate Na(VO)2(PO4)2·4H2O †
Journal of the Chemical Society, Dalton Transactions, 2000, 1143
7009226 CIFH8 Na O14 P2 V2P -16.293; 6.294; 6.844
107.04; 92.34; 90.13
258.9Yamase, Toshihiro; Makino, Haruyo
Crystal and electronic structures and magnetic susceptibility of the photochemically prepared layered vanadyl phosphate Na(VO)2(PO4)2·4H2O †
Journal of the Chemical Society, Dalton Transactions, 2000, 1143
7011333 CIFB0.5 H0.5 O1.5 Sr0.5P n m a6.991; 5.707; 6.952
90; 90; 90
277.37Yu, Zhen-Tao; Shi, Zhan; Chen, Wei; Jiang, Yu-Sheng; Yuan, Hong-Ming; Chen, Jie-Sheng
Synthesis and X-ray crystal structures of two new alkaline-earth metal borates: SrBO2(OH) and Ba3B6O9(OH)6
Journal of the Chemical Society, Dalton Transactions, 2002, 2031
7011245 CIFH2 O4 SP 1 21/c 17.695; 4.559; 8.378
90; 107.42; 90
280.4Allan, David R.; Clark, Stewart J.; Dawson, Alice; McGregor, Pamela A.; Parsons, Simon
Comparison of the high-pressure and low-temperature structures of sulfuric acid
Journal of the Chemical Society, Dalton Transactions, 2002, 1867
7702344 CIFC3 H5 Au Cl NP 1 21/m 14.4626; 6.3014; 10.0629
90; 96.1; 90
281.37Mathieson, Trevor J.; Langdon, Alan G.; Milestone, Neil B.; Nicholson, Brian K.
Preparation and structural characterisation of isocyanide gold(I) nitrates, [Au(NO3)(CNR)] (R = Et, But or C6H3Me2-2,6); new auriophilic motifs †
Journal of the Chemical Society, Dalton Transactions, 1999, 201
7010280 CIFC6 H12 Ag2 N4 S2P -15.994; 7.145; 7.622
73.63; 69.97; 82.16
294Ren, Chun-Xia; Zhu, Hai-Liang; Yang, Guang; Chen, Xiao-Ming
Syntheses and crystal structures of five two-dimensional networks constructed from staircase-like silver(I) thiocyanate chains and bridging polyamines
Journal of the Chemical Society, Dalton Transactions, 2001, 85
7036538 CIFH2 O4 SP 1 21/c 17.905; 4.591; 8.749
90; 108.17; 90
301.685Allan, D.R.; Clark, S.J.; Dawson, A.; McGregor, P.; Parsons, S.
Comparison of the high-pressure and low-temperature structures of sulfuric acid
Journal of the Chemical Society. Dalton Transactions, 2002, 2002, 1867-1871
7011177 CIFC14 H14 N4P -15.99; 7.03; 7.811
100.901; 99.006; 106.18
302.46Goutam Kumar Patra; Israel Goldberg
Coordination polymers of transition metal ions with polydentate imine ligands. Syntheses, materials characterization, and crystal structures of polymeric complexes of copper(I), silver(I) and zinc(II)
J. Chem. Soc., Dalton Trans., 2002, 1051-1057
7027508 CIFC4 Mn N6P n n m7.2723; 6.1126; 7.5563
90; 90; 90
335.9Batten, Stuart R.; Jensen, Paul; Kepert, Cameron J.; Kurmoo, Mohamedally; Moubaraki, Boujemaa; Murray, Keith S.; Price, David J.
Syntheses, structures and magnetism of α-Mn(dca)2, [Mn(dca)2(H2O)2]·H2O, [Mn(dca)2(C2H5OH)2]·(CH3)2CO, [Fe(dca)2(CH3OH)2] and [Mn(dca)2(L)2], where L = pyridine, CH3OH or DMF and dca− = dicyanamide, N(CN)2− †
Journal of the Chemical Society, Dalton Transactions, 1999, 2987
7702404 CIFC10 H10 Cu2 I2 N4P -17.7509; 10.5927; 4.2001
91.81; 101.993; 88.544
337.08Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G.
Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine †
Journal of the Chemical Society, Dalton Transactions, 1999, 3121
7036539 CIFH2 O4 SC 1 2/c 18.087; 5.007; 8.899
90; 110.47; 90
337.582Allan, D.R.; Dawson, A.; Clark, S.J.; Parsons, S.; McGregor, P.
Comparison of the high-pressure and low-temperature structures of sulfuric acid
Journal of the Chemical Society. Dalton Transactions, 2002, 2002, 1867-1871
7011317 CIFC10 H9 Ag2 N4 O10P -15.1295; 5.9118; 12.1815
92.071; 96.54; 106.322
351.3Somer Bekiroglu; Olof Kristiansson
Hydrogen-bonded neutral and anionic lamellar networks: Crystal structures of bis(O,O',O″-hydroorotato)disilver(I) dihydrate, potassium hydroorotate and rubidium hydroorotate. Ab initio calculations on orotic acid and the hydroorotate anion
J. Chem. Soc., Dalton Trans., 2002, 1330-1335
7011306 CIFCd Li2 S4 SnP m m n :27.9654; 6.4917; 6.9685
90; 90; 90
360.33Devi, M. Suseela; Vidyasagar, K.
First examples of sulfides in the quaternary A/Cd/Sn/S (A = Li, Na) systems: molten flux synthesis and single crystal X-ray structures of Li2CdSnS4, Na2CdSnS4 and Na6CdSn4S12
Journal of the Chemical Society, Dalton Transactions, 2002, 2092
7028093 CIFCl2 O SiP -15.982; 8.088; 8.156
77.43; 81.18; 72.68
366.02Maclagan, Robert G. A. R.; NieuwenhuyzenCuthbert J.Wilkins, Mark; Williamson, Bryce E.
Structural study of the cyclic chlorosiloxanes and chlorosilathianes †
Journal of the Chemical Society, Dalton Transactions, 1998, 2697
7027510 CIFC10 H14 Mn N8 O2P -16.4242; 7.4907; 8.4034
103.021; 106.485; 99.39
366.46Batten, Stuart R.; Jensen, Paul; Kepert, Cameron J.; Kurmoo, Mohamedally; Moubaraki, Boujemaa; Murray, Keith S.; Price, David J.
Syntheses, structures and magnetism of α-Mn(dca)2, [Mn(dca)2(H2O)2]·H2O, [Mn(dca)2(C2H5OH)2]·(CH3)2CO, [Fe(dca)2(CH3OH)2] and [Mn(dca)2(L)2], where L = pyridine, CH3OH or DMF and dca− = dicyanamide, N(CN)2− †
Journal of the Chemical Society, Dalton Transactions, 1999, 2987
7035749 CIFLa1.25 Ni O4 Sr0.75I 4/m m m5.3919; 5.3919; 12.7135
90; 90; 90
369.614Aguadero, A.; Escudero, M.J.; Perez, M.; Alonso, J.A.; Pomjakushin, V.; Daza, L.
Effect of Sr content on the crystal structure and electrical properties of the system La(2-x) Sr(x) Ni O(4+delta) (0 <= x <=1 )
Journal of the Chemical Society. Dalton Transactions, 2006, 2006, 4377-4383
7035750 CIFLa Ni O4 SrI 4/m m m5.3969; 5.3969; 12.7331
90; 90; 90
370.871Aguadero, A.; Alonso, J.A.; Escudero, M.J.; Perez, M.; Pomjakushin, V.; Daza, L.
Effect of Sr content on the crystal structure and electrical properties of the system La(2-x) Sr(x) Ni O(4+delta) (0 <= x <=1 )
Journal of the Chemical Society. Dalton Transactions, 2006, 2006, 4377-4383
7035743 CIFLa1.75 Ni O14 Sr0.25I 4/m m m5.4288; 5.4288; 12.7032
90; 90; 90
374.387Aguadero, A.; Escudero, M.J.; Pomjakushin, V.; Alonso, J.A.; Perez, M.; Daza, L.
Effect of Sr content on the crystal structure and electrical properties of the system La(2-x) Sr(x) Ni O(4+delta) (0 <= x <=1 )
Journal of the Chemical Society. Dalton Transactions, 2006, 2006, 4377-4383
7035742 CIFLa1.9 Ni O14 Sr0.1I 4/m m m5.45243; 5.45243; 12.6927
90; 90; 90
377.341Aguadero, A.; Escudero, M.J.; Pomjakushin, V.; Perez, M.; Alonso, J.A.; Daza, L.
Effect of Sr content on the crystal structure and electrical properties of the system La(2-x) Sr(x) Ni O(4+delta) (0 <= x <=1 )
Journal of the Chemical Society. Dalton Transactions, 2006, 2006, 4377-4383
7010759 CIFC8 H18 Cl4 Si2P -16.7183; 7.529; 8.789
94.93; 107.6; 112.43
381.3Hinchley, Sarah L.; Smart, Bruce A.; Morrison, Carole; Robertson, Heather E.; Rankin, David W. H.; Coxall, Robert A.; Parsons, Simon; Zink, Robert; Siegl, Harald; Hassler, Karl; Mawhorter, Richard
Molecular structure of ButCl2SiSiCl2But in the gas phase by electron diffraction and ab initio calculations. Molecular structures of the compounds ButX2SiSiX2But (X = Cl, Br or I) by vibrational spectroscopy, X-ray crystallography and ab initio calculations†
Journal of the Chemical Society, Dalton Transactions, 2001, 2916
7702403 CIFC5 H5 Cu0.5 N3 O3P -16.111; 7.445; 9.335
82.29; 83.07; 67.23
387Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G.
Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine †
Journal of the Chemical Society, Dalton Transactions, 1999, 3121
7027181 CIFC14 H18 Cl2 N2 PdP -17.453; 7.522; 8.423
97.36; 114.85; 107.97
389Biagini, Marina Cingi; Ferrari, Maura; Lanfranchi, Maurizio; Marchiò, Luciano; Pellinghelli, Maria Angela
Chirality in mononuclear square planar complexes
Journal of the Chemical Society, Dalton Transactions, 1999, 1575
7010496 CIFC4 H4 Br2 N2 ZnP 1 21/m 16.0068; 9.9518; 6.9936
90; 110.472; 90
391.66Bourne, Susan A.; Kilkenny, Mairi; Nassimbeni, Luigi R.
One- and two-dimensional coordination polymers of zinc(II) with pyrazine. Solid state reactions and decomposition kinetics of the interconversion reactions
Journal of the Chemical Society, Dalton Transactions, 2001, 1176
7010760 CIFC8 H18 Br4 Si2P -17.072; 7.637; 8.827
96.49; 108.36; 114.02
397Hinchley, Sarah L.; Smart, Bruce A.; Morrison, Carole; Robertson, Heather E.; Rankin, David W. H.; Coxall, Robert A.; Parsons, Simon; Zink, Robert; Siegl, Harald; Hassler, Karl; Mawhorter, Richard
Molecular structure of ButCl2SiSiCl2But in the gas phase by electron diffraction and ab initio calculations. Molecular structures of the compounds ButX2SiSiX2But (X = Cl, Br or I) by vibrational spectroscopy, X-ray crystallography and ab initio calculations†
Journal of the Chemical Society, Dalton Transactions, 2001, 2916
7702502 CIFC12 H22 Co O6P -15.228; 8.553; 9.744
108.127; 90.263; 105.385
397.4Werndrup, Pia; Kessler, Vadim G.
Interaction of Co(acac)2 and Ta(OMe)5: isolation and single crystal study of the products. MII2MV2(acac)2(OMe)12, MII = Co, Ni, Zn or Mg and MV = Ta or Nb: A new class of heterometallic heteroleptic alkoxide complexes
Journal of the Chemical Society, Dalton Transactions, 2001, 574
7027216 CIFC H3 Co Na3 O7 P2P 1 21/m 17.789; 7.329; 7.957
90; 118.65; 90
398.62Distler, Anne; Lohse, Douglas L.; Sevov, Slavi C.
Chains, planes, and tunnels of metal diphosphonates: synthesis, structure, and characterization of Na3Co(O3PCH2PO3)(OH), Na3Mg(O3PCH2PO3)F·H2O, Na2Co(O3PCH2PO3)·H2O, NaCo2(O3PCH2CH2CH2PO3)(OH), and Co2(O3PCH2PO3)(H2O)
Journal of the Chemical Society, Dalton Transactions, 1999, 1805
7010310 CIFC8 H20 Cl2 Co N4 O4P -17.4892; 7.705; 8.6242
100.66; 115.372; 107.584
399.06Hierso, Jean-Cyrille; Bouwman, Elisabeth; Ellis, Dianne D.; Pérez Cabero, Mónica; Reedijk, Jan; Spek, Anthony L.
Cobalt(II) aldoxime complexes stabilised by halide hydrogen bonding: crystal structures of [Co{HONC(H)(Me)}4X2] (X = Cl or Br) and [Co{HONC(H)(Pr)}4Cl2]
Journal of the Chemical Society, Dalton Transactions, 2001, 197
7028176 CIFC5 H7 N3 O6 ZnP -15.53; 7.124; 10.425
93.44; 101.38; 94.58
400.13Lalioti, Nikolia; Raptopoulou, Catherine P.; Terzis, Aris; Panagiotopoulos, Athanassios; Perlepes, Spyros P.; Manessi-Zoupa, Evy
New metal-binding modes for 5-aminoorotic acid: preparation, characterization and crystal structures of zinc(II) complexes
Journal of the Chemical Society, Dalton Transactions, 1998, 1327
7027217 CIFC H4 F Mg Na3 O7 P2P 1 21/m 17.996; 7.1516; 8.1
90; 118.73; 90
406.17Distler, Anne; Lohse, Douglas L.; Sevov, Slavi C.
Chains, planes, and tunnels of metal diphosphonates: synthesis, structure, and characterization of Na3Co(O3PCH2PO3)(OH), Na3Mg(O3PCH2PO3)F·H2O, Na2Co(O3PCH2PO3)·H2O, NaCo2(O3PCH2CH2CH2PO3)(OH), and Co2(O3PCH2PO3)(H2O)
Journal of the Chemical Society, Dalton Transactions, 1999, 1805
7011307 CIFCd Na2 S4 SnC 1 2 19.282; 9.421; 6.593
90; 134.83; 90
408.9Devi, M. Suseela; Vidyasagar, K.
First examples of sulfides in the quaternary A/Cd/Sn/S (A = Li, Na) systems: molten flux synthesis and single crystal X-ray structures of Li2CdSnS4, Na2CdSnS4 and Na6CdSn4S12
Journal of the Chemical Society, Dalton Transactions, 2002, 2092
7009696 CIFC3 H6 Ag2 N O5 PP -15.4; 17.168; 5.01
94.49; 115.75; 81.95
414.1Sagatys, Dalius S.; Dahlgren, Cathrine; Smith, Graham; Bott, Raymond C.; White, Jonathan M.
The complex chemistry of N-(phosphonomethyl)glycine (glyphosate): preparation and characterization of the ammonium, lithium, sodium (4 polymorphs) and silver(I) complexes
Journal of the Chemical Society, Dalton Transactions, 2000, 3404
7702381 CIFC18 H8 B2 N4 O4P -15.962; 6.024; 12.686
97.88; 97.66; 108.91
419.2Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.
Crystalline TCNQ and TCNE adducts of the diborane(4) compounds B2(1,2-E2C6H4)2 (E = O or S)
Journal of the Chemical Society, Dalton Transactions, 1999, 2127
7011248 CIFC9 H12 Mn OP -4 21 m7.729; 7.729; 7.167
90; 90; 90
428.1Guido J. Reiß; Stefan Konietzny
How realistic are alternating C‒C-bond lengths in s-cis-1,3-butadiene transition metal complexes?
J. Chem. Soc., Dalton Trans., 2002, 862-864
7027573 CIFCl12 O2 S2 Ti2P -16.179; 7.675; 10.714
107.73; 91.33; 112.77
440.5Calderazzo, Fausto; D'Attoma, Michele; Marchetti, Fabio; Pampaloni, Guido; Troyanov, Sergei I.
Labile adducts of TiCl4 with thionyl chloride structurally characterized at low temperature: a comparison with the zirconium and hafnium analogues, [MCl4(SOCl2)]2
Journal of the Chemical Society, Dalton Transactions, 1999, 2275
7011249 CIFC9 H12 Mn OP -4 21 m7.8215; 7.8215; 7.2234
90; 90; 90
441.9Guido J. Reiß; Stefan Konietzny
How realistic are alternating C‒C-bond lengths in s-cis-1,3-butadiene transition metal complexes?
J. Chem. Soc., Dalton Trans., 2002, 862-864
7010761 CIFC8 H18 I4 Si2P -17.639; 8.033; 8.854
100.11; 106.83; 114.77
443.8Hinchley, Sarah L.; Smart, Bruce A.; Morrison, Carole; Robertson, Heather E.; Rankin, David W. H.; Coxall, Robert A.; Parsons, Simon; Zink, Robert; Siegl, Harald; Hassler, Karl; Mawhorter, Richard
Molecular structure of ButCl2SiSiCl2But in the gas phase by electron diffraction and ab initio calculations. Molecular structures of the compounds ButX2SiSiX2But (X = Cl, Br or I) by vibrational spectroscopy, X-ray crystallography and ab initio calculations†
Journal of the Chemical Society, Dalton Transactions, 2001, 2916
7043526 CIFCl2 Cr3 F6 K2P 1 21/c 16.726; 11.157; 7.391
90; 125.31; 90
452.6Dewan, John C.; Edwards, Anthony J.; Guy, John J.
Structural studies of potassium tetrafluorochromate(III), K[CrF4], and the novel mixed chloride fluoride, dipotassium dichlorohexafluorotrichromate(II), K2[Cr3Cl2F6]
Journal of the Chemical Society, Dalton Transactions, 1986, 2623-2627
7011809 CIFC3 H11 N O7 P2 ZnP -17.6001; 7.9401; 8.5505
89.175; 64.549; 81.432
460Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham
The role of deprotonation of the ligand on the structures of metal phosphonates: synthesis, characterization and crystal structures of two new metal diphosphonates with a 1D double chain and a 2D layer structure
Journal of the Chemical Society, Dalton Transactions, 2002, 4457
7009961 CIFC8 H14 O6P 1 21 15.012; 6.738; 13.748
90; 97.31; 90
460.51Sah, Ajay K.; Rao, Chebrolu P.; Saarenketo, Pauli K.; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki
N-Glycosylamines of 4,6-O-ethylidene-α-D-glucopyranose: synthesis, characterisation and structure of CO2H, Cl and F ortho-substituted phenyl derivatives and metal ion complexes of the CO2H derivative†
Journal of the Chemical Society, Dalton Transactions, 2000, 3681
7702379 CIFC18 H8 B2 N4 S4P -16.861; 7.172; 10.862
80.8; 79.61; 64
470.5Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.
Crystalline TCNQ and TCNE adducts of the diborane(4) compounds B2(1,2-E2C6H4)2 (E = O or S)
Journal of the Chemical Society, Dalton Transactions, 1999, 2127
7702444 CIFC14 H8 N2P 1 21/c 13.7891; 8.0997; 15.421
90; 93.96; 90
472.1Blake, Alexander J.; Baum, Gerhard; Champness, Neil R.; Chung, Simon S. M.; Cooke, Paul A.; Fenske, Dieter; Khlobystov, Andrei N.; Lemenovskii, Dmitrii A.; Li, Wan-Sheung; Schröder, Martin
Long-range chain orientation in 1-D co-ordination polymers as a function of anions and intermolecular aromatic interactions
Journal of the Chemical Society, Dalton Transactions, 2000, 4285
7702789 CIFC8 H26 Mn N2 O14 P4P -15.3984; 9.4004; 10.4042
65.237; 80.868; 88.957
472.67Song, Hui-Hua; Yin, Ping; Zheng, Li-Min; Korp, James D.; Jacobson, Allan J.; Gao, Song; Xin, Xin-Quan
Syntheses, crystal structures and magnetic properties of manganese(ii)-hedp compounds involving alkylenediamine templates (hedp = 1-hydroxyethylidene-diphosphonate)
Journal of the Chemical Society, Dalton Transactions, 2002, 2752
7011191 CIFC6 H17.5 B4.5 NP -16.517; 8.799; 9.158
65.513; 85.279; 83.91
474.79Fox, Mark A.; Goeta, Andrés E.; Hughes, Andrew K.; Johnson, Andrew L.
Crystal and molecular structures of the nido-carborane anions, 7,9- and 2,9-C2B9H12−
Journal of the Chemical Society, Dalton Transactions, 2002, 2132
7702868 CIFC18 H22 Ag N5 O5P -15.0952; 6.9931; 13.6355
93.51; 98.761; 95.219
476.8Muthu, Sebastian; Yip, John H. K.; Vittal, Jagadese J.
Coordination networks of Ag(i) and N,N′- bis(3-pyridinecarboxamide)-1,6-hexane: structures and anion exchange
J. Chem. Soc., Dalton Trans., 2002, 4561
7027166 CIFC4 H4 Ag2 O10 PtC 1 2/m 19.745; 7.913; 6.954
90; 117.05; 90
477.58Yamaguchi, Tadashi; Yamazaki, Fumie; Ito, Tasuku
A short platinum to silver dative bond and its application in the construction of extended structures: syntheses and structures of Ag2[Pt(ox)2]·2H2O and [Ag(H2O)]2[Ag2(CF3SO3)4][Pt(acac)2]2
Journal of the Chemical Society, Dalton Transactions, 1999, 273
7011806 CIFC2 H5 O3 ReP 1 21/n 16.421; 5.111; 15.108
90; 98.01; 90
491Downs, Anthony J.; Geisberger, Martin R.; Green, Jennifer C.; Greene, Tim M.; Haaland, Arne; Herrmann, Wolfgang A.; Morris, Leigh J.; Parsons, Simon; Scherer, Wolfgang; Volden, Hans Vidar
Structure and vibrational properties of ethyltrioxorhenium(vii), C2H5ReO3, investigated by gas electron diffraction, single crystal X-ray diffraction, IR spectroscopy and quantum chemical calculations
Journal of the Chemical Society, Dalton Transactions, 2002, 3342
7027051 CIFC3 H12 Ga NR 3 m :H9.2971; 9.2971; 6.6646
90; 90; 120
498.88Brain, Paul T.; Brown, Helen E.; Downs, Anthony J.; Greene, Tim M.; Johnsen, Emma; Parsons, Simon; Rankin, David W. H.; Smart, Bruce A.; Tang, Christina Y.
Molecular structure of trimethylamine‒gallane, Me3N·GaH3: ab initio calculations, gas-phase electron diffraction and single-crystal X-ray diffraction studies †
Journal of the Chemical Society, Dalton Transactions, 1998, 3685
7009919 CIFC10 H6 Cr O5P -17.0349; 7.2332; 11.1518
88.71; 81.733; 63.012
499.82Brammer, Lee; Rivas, Juan C. Mareque; Atencio, Reinaldo; Fang, Shiyue; Pigge, F. Christopher
Combining hydrogen bonds with coordination chemistry or organometallic π-arene chemistry: strategies for inorganic crystal engineering †
Journal of the Chemical Society, Dalton Transactions, 2000, 3855
7027501 CIFC6 H18 N3 O PP 1 21/m 16.398; 12.57; 6.428
90; 104.19; 90
501.18Mitzel, Norbert W.; Lustig, Christian
The molecular and crystal structures of the tris(dimethylamino)phosphoranes (Me2N)3P‒X (X = BH3, CH2, NH or O)
Journal of the Chemical Society, Dalton Transactions, 1999, 3177
7010133 CIFC4 H4 Mn3 O10 P2P -16.3922; 8.4863; 10.0086
106.187; 96.428; 101.436
502.92Stock, Norbert; Frey, Stephanie A.; Stucky, Galen D.; Cheetham, Anthony K.
Synthesis and characterization of two manganese phosphonocarboxylates: Mn3(O3PCH2COO)2 and Mn3(O3PCH2CH2COO)2
Journal of the Chemical Society, Dalton Transactions, 2000, 4292
7011308 CIFCd Na6 S12 Sn4C 1 2/m 16.622; 11.489; 6.999
90; 108.56; 90
504.8Devi, M. Suseela; Vidyasagar, K.
First examples of sulfides in the quaternary A/Cd/Sn/S (A = Li, Na) systems: molten flux synthesis and single crystal X-ray structures of Li2CdSnS4, Na2CdSnS4 and Na6CdSn4S12
Journal of the Chemical Society, Dalton Transactions, 2002, 2092
7027512 CIFC6 H8 Fe N6 O2C 1 2/m 112.2247; 7.3921; 6.461
90; 120.119; 90
505.03Batten, Stuart R.; Jensen, Paul; Kepert, Cameron J.; Kurmoo, Mohamedally; Moubaraki, Boujemaa; Murray, Keith S.; Price, David J.
Syntheses, structures and magnetism of α-Mn(dca)2, [Mn(dca)2(H2O)2]·H2O, [Mn(dca)2(C2H5OH)2]·(CH3)2CO, [Fe(dca)2(CH3OH)2] and [Mn(dca)2(L)2], where L = pyridine, CH3OH or DMF and dca− = dicyanamide, N(CN)2− †
Journal of the Chemical Society, Dalton Transactions, 1999, 2987
7028143 CIFC6 H14 N2 O2 SiP -17.068; 7.375; 10.963
87.16; 79.61; 64.19
505.75Losehand, Udo; Mitzel, Norbert W.
O-Oximatosilanes: weak β-donor interactions as secondary bonds
Journal of the Chemical Society, Dalton Transactions, 1998, 2537
7011991 CIFH2 Mn3 O10 Se3P -18.266; 8.35; 9.008
65.24; 68.82; 67.77
507.2Aitor Larrañaga; José L. Mesa; José L. Pizarro; R. Olazcuaga; María I. Arriortua; Teófilo Rojo
Hydrothermal synthesis, crystal structure, spectroscopic and magnetic properties of Mn4(H2O)3(SeO3)4 and Mn3(H2O)(SeO3)3
J. Chem. Soc., Dalton Trans., 2002, 3447-3453
7702380 CIFC24 H12 B2 N4 O4P -17.1996; 8.56; 9.414
67; 83.16; 75.47
516.8Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.
Crystalline TCNQ and TCNE adducts of the diborane(4) compounds B2(1,2-E2C6H4)2 (E = O or S)
Journal of the Chemical Society, Dalton Transactions, 1999, 2127
7011490 CIFC16 H32 In2 N4P -15.611; 8.253; 11.677
85.457; 85.41; 76.258
522.56Baker, Robert J.; Cole, Marcus L.; Jones, Cameron; Mahon, Mary F.
Bidentate N-heterocyclic carbene complexes of Group 13 trihydrides and trihalides
Journal of the Chemical Society, Dalton Transactions, 2002, 1992
7011650 CIFC18 H17 B Cu F4 N6 O2.5P 18.211; 8.327; 9.356
95.96; 107.6; 116.67
522.9McMorran, David A.; Steel, Peter J.
New U- and Y-shaped components for metallosupramolecular assemblies: synthesis and coordination chemistry of 2,6-bis(3-pyridyloxy)pyrazine
Journal of the Chemical Society, Dalton Transactions, 2002, 3321
7012055 CIFC8 H18 N2 SP -15.9699; 9.2877; 9.9338
72.505; 88.338; 84.661
523.04Hinchley, Sarah L.; Trickey, Peter; Robertson, Heather E.; Smart, Bruce A.; Rankin, David W. H.; Leusser, Dirk; Walfort, Bernhard; Stalke, Dietmar; Bühl, Michael; Obrey, Stephen J.
Bis(tert-butyl)sulfurdiimide, S(NBut)2, and tris(tert-butyl)sulfurtriimide, S(NBut)3: structures by gas electron diffraction, X-ray crystallography and ab initio calculations
Journal of the Chemical Society, Dalton Transactions, 2002, 4607
7027511 CIFC6 H8 Mn N6 O2C 1 2/m 112.409; 7.481; 6.528
90; 119.979; 90
524.93Batten, Stuart R.; Jensen, Paul; Kepert, Cameron J.; Kurmoo, Mohamedally; Moubaraki, Boujemaa; Murray, Keith S.; Price, David J.
Syntheses, structures and magnetism of α-Mn(dca)2, [Mn(dca)2(H2O)2]·H2O, [Mn(dca)2(C2H5OH)2]·(CH3)2CO, [Fe(dca)2(CH3OH)2] and [Mn(dca)2(L)2], where L = pyridine, CH3OH or DMF and dca− = dicyanamide, N(CN)2− †
Journal of the Chemical Society, Dalton Transactions, 1999, 2987
7702478 CIFC1.5 H6 N O10 P2 Zn3P -15.003; 8.5434; 12.4336
92.99; 97.138; 91.465
526.33Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.
A zinc phosphate oxalate with phosphate layers pillared by the oxalate units
Journal of the Chemical Society, Dalton Transactions, 2001, 289
7702818 CIFC10 H10 Co O6P 1 21/c 111.3236; 6.6084; 7.2011
90; 101.948; 90
527.19Kumagai, Hitoshi; Oka, Yoshimi; Inoue, Katsuya; Kurmoo, Mohamedally
Hydrothermal synthesis, structure and magnetism of square-grid cobalt(ii)-carboxylate layered compounds with and without pillars
Journal of the Chemical Society, Dalton Transactions, 2002, 3442
7702785 CIFC22 H16 B2 Fe2 O8P -16.4039; 6.8417; 12.547
83.82; 86.64; 77.38
533Aldridge, Simon; Calder, Richard J.; Rossin, Andrea; Dickinson, Anthony A.; Willock, David J.; Jones, Cameron; Evans, David J.; Steed, Jonathan W.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.
Linking of metal centres through boryl ligands: synthesis, spectroscopic and structural characterisation of symmetrically bridged boryl complexes
Journal of the Chemical Society, Dalton Transactions, 2002, 2020
7702684 CIFC14 H30 N2 Ni O16P -16.8436; 9.1166; 9.7167
105.346; 97.746; 109.346
534.86Murugavel, Ramaswamy; Krishnamurthy, Divya; Sathiyendiran, Malaichamy
Anionic metal‒organic and cationic organic layer alternation in the coordination polymers [{M(BTEC)(OH2)4}·{C4H12N2}·4H2O]n (M = Co, Ni, and Zn; BTEC = 1,2,4,5-benzenetetracarboxylate)
Journal of the Chemical Society, Dalton Transactions, 2002, 34
7702683 CIFC14 H30 Co N2 O16P -16.8668; 9.1137; 9.6982
104.63; 98.04; 109.66
535.9Murugavel, Ramaswamy; Krishnamurthy, Divya; Sathiyendiran, Malaichamy
Anionic metal‒organic and cationic organic layer alternation in the coordination polymers [{M(BTEC)(OH2)4}·{C4H12N2}·4H2O]n (M = Co, Ni, and Zn; BTEC = 1,2,4,5-benzenetetracarboxylate)
Journal of the Chemical Society, Dalton Transactions, 2002, 34
7010279 CIFC5 H10 Ag2 N4 S2P 1 2/c 15.859; 6.44; 14.316
90; 94.52; 90
538.5Ren, Chun-Xia; Zhu, Hai-Liang; Yang, Guang; Chen, Xiao-Ming
Syntheses and crystal structures of five two-dimensional networks constructed from staircase-like silver(I) thiocyanate chains and bridging polyamines
Journal of the Chemical Society, Dalton Transactions, 2001, 85
7702685 CIFC14 H30 N2 O16 ZnP -16.847; 9.122; 9.769
104.87; 98.16; 109.45
538.5Murugavel, Ramaswamy; Krishnamurthy, Divya; Sathiyendiran, Malaichamy
Anionic metal‒organic and cationic organic layer alternation in the coordination polymers [{M(BTEC)(OH2)4}·{C4H12N2}·4H2O]n (M = Co, Ni, and Zn; BTEC = 1,2,4,5-benzenetetracarboxylate)
Journal of the Chemical Society, Dalton Transactions, 2002, 34
7008970 CIFC4 Cl2 F6 Te2P 1 21/c 17.771; 6.749; 10.685
90; 105.3; 90
540.5Baum, Michael; Beck, Johannes; Haas, Alois; Herrendorf, Wolfgang; Monsé, Christian
Perfluoroalkyltellurocarbonyl fluorides, their cyclic dimers and perfluoroalkanetellurenyl iodides: preparation and reactivity †
Journal of the Chemical Society, Dalton Transactions, 2000, 11
7009121 CIFC12 H24.6 Mo2 N2 O0.3 S7R -3 :R8.3292; 8.3292; 8.3292
77.833; 77.833; 77.833
543.74Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger
Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands
Journal of the Chemical Society, Dalton Transactions, 2000, 719
7010215 CIFC6 H20 B Ga OP -17.4628; 7.8998; 10.539
87.926; 77.525; 64.083
544.44Konietzny, Stefan; Fleischer, Holger; Parsons, Simon; Pulham, Colin R.
Structural characterisation of dimethylgallium tetrahydroborate and its adducts with diethyl ether and tetrahydrofuran
Journal of the Chemical Society, Dalton Transactions, 2001, 304
7028177 CIFC14 H24 N6 O12 S2 ZnP -15.249; 9.074; 11.826
98.9; 91.25; 100.77
545.9Lalioti, Nikolia; Raptopoulou, Catherine P.; Terzis, Aris; Panagiotopoulos, Athanassios; Perlepes, Spyros P.; Manessi-Zoupa, Evy
New metal-binding modes for 5-aminoorotic acid: preparation, characterization and crystal structures of zinc(II) complexes
Journal of the Chemical Society, Dalton Transactions, 1998, 1327
7010704 CIFC4 H20 Al2 N2P 1 21/c 18.5594; 6.0337; 11.022
90; 105.967; 90
547.3Tang, Christina Y.; Coxall, Robert A.; Downs, Anthony J.; Greene, Tim M.; Parsons, Simon
Oligomeric structures of the crystalline dimethylamine adducts Me2(H)N·MH3 (M = Al or Ga) and the dimethylamido derivative [Me2NGaH2]3
Journal of the Chemical Society, Dalton Transactions, 2001, 2141
7011316 CIFC2 H5 Cu O4 PP 1 21/c 19.878; 7.628; 7.332
90; 95.97; 90
549.5D. Andrew Knight; Vinny Kim; Raymond J. Butcher; Brandy A. Harper; Terence L. Schull
Rhodium-mediated delamination of layered copper and zinc vinylphosphonates
J. Chem. Soc., Dalton Trans., 2002, 824-826
5000336 CIFC22 H20 B2 F8 N4P -19.341; 11.46; 5.383
95.73; 105.82; 90.06
551.4Seddon, Elisa J.; Yoo, Jae; Folting, Kirsten; Huffman, John C.; Hendrickson, David N.; Christou, George
Dinuclear and hexanuclear iron(III) carboxylate clusters with a bis(bipyridine) ligand: supramolecular aggregation of [Fe2O2] units to give a [Fe6O6] ladder structure †
Journal of the Chemical Society, Dalton Transactions, 2000, 3640
7009591 CIFC10 H7 Br Cr O3P -16.772; 8.541; 9.622
83.31; 88.37; 88.67
552.41Christofi, A. Maria; Garratt, Peter J.; Hogarth, Graeme; Steed, Jonathan W.
Synthesis and structures of chromium tricarbonyl complexes of benzylic halides and benzylic alcohols †
Journal of the Chemical Society, Dalton Transactions, 2000, 2137
7010214 CIFC2 H10 B GaP 21 21 216.405; 7.4178; 11.8428
90; 90; 90
562.66Konietzny, Stefan; Fleischer, Holger; Parsons, Simon; Pulham, Colin R.
Structural characterisation of dimethylgallium tetrahydroborate and its adducts with diethyl ether and tetrahydrofuran
Journal of the Chemical Society, Dalton Transactions, 2001, 304
7011314 CIFC22 H30 Ni S4P -17.1006; 8.3936; 10.4298
108.642; 105.664; 89.9694
564.61Johanna A. W. Verhagen; Dianne D. Ellis; Martin Lutz; Anthony L. Spek; Elisabeth Bouwman
Synthesis, characterisation and crystal structures of new nickel complexes in S4 coordination spheres; an unprecedented rearrangement during ligand synthesis
J. Chem. Soc., Dalton Trans., 2002, 1275-1280
7011977 CIFC6 H18 N2 O6 P2P 1 21/n 16.9401; 10.456; 8.4868
90; 112.844; 90
567.5Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham
Building layered structures from hydrogen bonded molecular units and 1D metal phosphonate chains: synthesis, characterization and crystal structures of N,N???-dimethyl-N,N???-ethylenediamine-bis(methylenephosphonic acid), its Ni(ii) and Pb(ii) complexes
Journal of the Chemical Society, Dalton Transactions, 2002, 4541
7010709 CIFC18 H30 Cd N4 O6 S2P -18.4306; 8.5243; 8.5607
87.652; 67.476; 88.91
567.8Cai, Jiwen; Chen, Cai-Hong; Feng, Xiao-Long; Liao, Cheng-Zhu; Chen, Xiao-Ming
A novel supramolecular synthon for H-bonded coordination networks: syntheses and structures of extended 2-dimensional cadmium(II) arenedisulfonates
Journal of the Chemical Society, Dalton Transactions, 2001, 2370
7027470 CIFC5 H6 Br2 S5P -16.9403; 8.3128; 10.554
69.042; 87.146; 87.88
567.8Bricklebank, Neil; Skabara, Peter J.; Hibbs, David E.; Hursthouse, Michael B.; Abdul Malik, K. M.
Reaction of thiones with dihalogens; comparison of the solid state structures of 4,5-bis(methylsulfanyl)-1,3-dithiole-2-thione‒diiodine, ‒dibromine and ‒iodine monobromide
Journal of the Chemical Society, Dalton Transactions, 1999, 3007
7028092 CIFCl6 O3 Si3P -16.388; 8.646; 11.155
77.77; 77.58; 72.93
567.8Maclagan, Robert G. A. R.; NieuwenhuyzenCuthbert J.Wilkins, Mark; Williamson, Bryce E.
Structural study of the cyclic chlorosiloxanes and chlorosilathianes †
Journal of the Chemical Society, Dalton Transactions, 1998, 2697
7027814 CIFC12 H18 Cu2 N12 O12P -17.221; 8.463; 10.585
103.69; 98.36; 110.57
569.5Ferrer, Sacramento; van Koningsbruggen, Petra J.; Haasnoot, Jaap G.; Reedijk, Jan; Kooijman, Huub; Spek, Anthony L.; Lezama, Luis; Arif, Atta M.; Miller, Joel S.
Dimetallic complexes derived from a novel dinucleating chelating symmetric triazole ligand; crystal structure, magnetic properties and ESR study of bis[μ-3,5-diacetylamino-1,2,4-triazolato-O ′,N 1,N 2,O ″]bis[(nitrato)(aqua)copper(II)] ‡
Journal of the Chemical Society, Dalton Transactions, 1999, 4269
7009013 CIFC5 H12 N2 O7 S ZnP -19.087; 9.859; 6.87
108.65; 96.21; 97.77
570.2Zhang, Yugen; Jianmin, Li; Nishiura, Masayoshi; Hou, Hongyi; Deng, Wei; Imamoto, Tsuneo
Thermodynamically controlled products: novel motif of metallohelicates stabilized by inter- and intra-helix hydrogen bonds
Journal of the Chemical Society, Dalton Transactions, 2000, 293
7027172 CIFC4 H13 N3 Ni O6 V2P -17.377; 8.093; 10.235
101.807; 102.801; 98.831
570.458Zheng, Li-Min; Zhao, Jie-Shou; Lii, Kwang-Hwa; Zhang, Li-Yi; Liu, Yang; Xin, Xin-Quan
One- and two-dimensional materials containing vanadium oxide: structures and magnetic properties of Cu(dien)V2O6·H2O and Ni(dien)V2O6 (dien = diethylenetriamine) †
Journal of the Chemical Society, Dalton Transactions, 1999, 939
7009580 CIFC14 H32 Fe2 N2 O16P -16.9549; 9.3819; 9.913
67.995; 88.68; 74.027
574.22Goodwin, Jeremy C.; Sessoli, Roberta; Gatteschi, Dante; Wernsdorfer, Wolfgang; Powell, Annie K.; Heath, Sarah L.
Towards nanostructured arrays of single molecule magnets: new Fe19 oxyhydroxide clusters displaying high ground state spins and hysteresis †
Journal of the Chemical Society, Dalton Transactions, 2000, 1835
7702377 CIFC24 H12 B2 N4 S4P -17.803; 7.855; 9.867
73.85; 85.71; 83.18
576.2Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.
Crystalline TCNQ and TCNE adducts of the diborane(4) compounds B2(1,2-E2C6H4)2 (E = O or S)
Journal of the Chemical Society, Dalton Transactions, 1999, 2127
7010605 CIFC4 H7 Mn2 N O12 PP -17.83; 8.041; 9.652
76.29; 78.47; 86.36
578.4Lethbridge, Zoe A. D.; Tiwary, Satish K.; Harrison, Andrew; Lightfoot, Philip
Synthesis, structural relationships and magnetic properties of new amine-templated manganese(II) phosphate oxalate framework materials
Journal of the Chemical Society, Dalton Transactions, 2001, 1904
7702378 CIFC24 H12 B2 N4 S4P -17.862; 8.386; 9.745
71.97; 72.71; 88.28
582Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.
Crystalline TCNQ and TCNE adducts of the diborane(4) compounds B2(1,2-E2C6H4)2 (E = O or S)
Journal of the Chemical Society, Dalton Transactions, 1999, 2127
7027266 CIFC10 H9 Cl2 N3 ZnP -17.439; 8.669; 9.409
75.28; 89.32; 86.11
585.5Ho, Kin-Ying; Yu, Wing-Yiu; Cheung, Kung-Kai; Che, Chi-Ming
Blue luminescent zinc(II) complexes with polypyridylamine ligands: crystal structures and luminescence properties
Journal of the Chemical Society, Dalton Transactions, 1999, 1581
7010057 CIFC4 H8 K2 N4 Ni O10P 1 21/n 13.729; 19.753; 8.203
90; 101.91; 90
591.2Jolanta Świątek-Kozłowska; Igor O. Fritsky; Agnieszka Dobosz; Aldona Karaczyn; Nikolai M. Dudarenko; Tatiana Yu. Sliva; Elżbieta Gumienna-Kontecka; Lucjan Jerzykiewicz
Chelating dihydroxamic acids: study of metal speciation and co-ordination compounds with Ni2+ and Cu2+
J. Chem. Soc., Dalton Trans., 2000, 4064-4068
7009791 CIFC5 H12 Fe N O10 P2P -17.1166; 7.3711; 12.181
105.538; 105.474; 90.273
591.31Cowley, Andrew R.; Chippindale, Ann M.
Ambient-temperature syntheses of layered iron(III) phosphates in silica gels
Journal of the Chemical Society, Dalton Transactions, 2000, 3425
7702296 CIFC26 H40 Fe N2 O2P -16.001; 8.113; 12.399
99.19; 94.36; 93.36
592.65Doris Huerlander; Roland Frohlich; Gerhard Erker
Synthesis and structural characterization of Group 4 metallocene complexes that contain remote carboxamide functionalities at their Cp-side chains
Journal of the Chemical Society, Dalton Transactions, 2002, 1513-1520
7011334 CIFB6 Ba3 H6 O15P 1 2/c 16.9868; 7.1366; 11.9209
90; 90.955; 90
594.32Yu, Zhen-Tao; Shi, Zhan; Chen, Wei; Jiang, Yu-Sheng; Yuan, Hong-Ming; Chen, Jie-Sheng
Synthesis and X-ray crystal structures of two new alkaline-earth metal borates: SrBO2(OH) and Ba3B6O9(OH)6
Journal of the Chemical Society, Dalton Transactions, 2002, 2031
7011558 CIFC24 H21 Fe2 Na O12 Zn3C 1 2/m 128.719; 3.3292; 6.2718
90; 97.517; 90
594.5Guo Dong; Mo Hong; Duan Chun-ying; Lu Feng; Meng Qing-jin
Novel ferrocene-based mixed-metal coordination polymers
J. Chem. Soc., Dalton Trans., 2002, 2593-2594
7010836 CIFC26 H30 Al2 N4P -18.198; 8.531; 9.462
107.85; 106.44; 94.05
595.1Armstrong, David R.; Davies, Robert P.; Linton, David J.; Snaith, Ronald; Schooler, Paul; Wheatley, Andrew E. H.
The crystallographic observation of molecular lithium oxide: synthesis and solid-state structure of [Me2AlN(2-C5H4N)Ph]2(O)Li2·2THF†
Journal of the Chemical Society, Dalton Transactions, 2001, 2838
7011149 CIFC20 H20 N10 Ni O2 S4P -17.502; 7.681; 12.061
91.773; 107.638; 113.737
596.9Michael M. Bishop; Leonard F. Lindoy; Brian W. Skelton; Allan H. White
Modification of supramolecular motifs: some effects of incorporation of metal complexes into supramolecular arrays
J. Chem. Soc., Dalton Trans., 2002, 377-382
7011988 CIFC H8 Be F4 Li N OP 1 21/c 112.567; 4.8493; 9.974
90; 100.63; 90
597.4Gerrard, Lee A.; Weller, Mark T.
2-Dimensional sheet structures from linked metal fluoride tetrahedra
Journal of the Chemical Society, Dalton Transactions, 2002, 4402
7011842 CIFC16 H10 N2P 1 21/n 13.9108; 5.9654; 25.64
90; 92.214; 90
597.72Hong, Fung-E; Chen, Cheng-Wei; Chang, Yu-Chang
A novel approach to the synthesis of azobenzene using dicobalt carbonyl
Journal of the Chemical Society, Dalton Transactions, 2002, 2951

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