Selected Publications of Carolyn P. Brock

  • R. C. Bakus II, D. A. Atwood, S. Parkin, C. P. Brock & V. Petříček, “C6H4S2AsCl:  Description and Interpretation of an Incommensurately Modulated Molecular Crystal Structure”, Acta Cryst., 2013, 496-508. (view pdf)
  • M. A. Siegler, S. Parkin & C. P. Brock, "[Ni(MeCN)(H2O)2(NO3)2].(15-crown-5).MeCN: Detailed Study of a Four-Phase Sequence that Includes an Intermediate Modulated Phase", Acta Cryst., 2012, B68, 389-400. (view pdf)
  • C. P. Brock, "Learning from Outliers”, ACA Transactions 2012, 43 (20 pp)  http://www.amercrystalassn.org/2012-Transactions
  • M. A. Siegler, X. Hao, S. Parkin & C. P. Brock, "[Ni(H2O)6](NO3)2.(15-crown-5)].2H2O: Three Phase Transitions and an Intermediate Modulated Phase Stable over a range of ca. 40 K", Acta Cryst., 2011, B67, 486-498. (view pdf)
  • M. A. Siegler, S. Parkin, R. J. Angel & C. P. Brock, "Detailed Study of the Phase Transi6ion in [Ni(H2O)6](NO3)2.(15-crown-5)].H2O and Analysis in Terms of Mean-Field Theory", Acta Cryst., 2011, B67, 130-143. (view pdf)
  • S. P. Kelley, L. Fábián & C. P. Brock, "Failures of Fractional Crystallization: Ordered Co-Crystals of Isomers and Near Isomers", Acta Cryst., 2011, B67, 79-93. (view pdf)
  • M. A. Siegler, J. H. Prewitt, S. P. Kelley, S. Parkin, J. P. Selegue & C. P. Brock, "More examples of the 15-crown-5···H2O-M-OH2···15-crown-5 motif, M = Al3+, Cr3+ and Pd2+", Acta Cryst., 2010, B66, 213-221. (view pdf)
  • L. Fábián & C. P. Brock, "A List of Organic Kryptoracemates", Acta Cryst., 2010, B66, 94-103. (view pdf)
  • M. A. Siegler, Z. Hao, S. Parkin & C. P. Brock, "Five More Phases of the Structural Family [M(H2O)2(15-crown-5)](NO3)2", Acta Cryst., 2008, B64, 738-749. (view pdf)
  • M. A. Siegler, S. Parkin, J. P. Selegue & C. P. Brock, "The Elusive [Ni(H2O)2 (15-crown-5)]2+ Cation and Related Co-Crystals of Ni(II) Hydrates and 15-Crown-5", Acta Cryst., 2008, B64, 725-737. (view pdf)
  • S. Long, S. Parkin, M. Siegler, C. P. Brock, A. Cammers & T.Li, "Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains", Cryst. Growth Des., 2008, 8, 3137-3140.
  • M. A. Siegler, Y. Fu, G. H. Simpson, D. P. King, S. Parkin & C. P. Brock, "An Unexpected Co-Crystal with a Variable Degree of Order: 1:1 rac-1,2-Cyclohexanediol/Triphenylphosphine Oxide", Acta Cryst., 2007, B63, 912-925. (view pdf)
  • M. A. Lloyd, G. E. Patterson, G. H. Simpson, L. L. Duncan, D. P. King, Y. Fu, B. O. Patrick, S. Parkin & C. P. Brock, "Solid-State Compounds of Stereoisomers: cis and trans Isomers of 1,2-Cyclohexanediol and 2,3-Tetralindiol", Acta Cryst., 2007, B63, 433-447. (view pdf)
  • B. O. Patrick & C. P. Brock, "S,S-1,2-Dicyclohexylethane-1,2-diol and Its Racemic Compound: A Striking Exception to Wallach's Rule", Acta Cryst., 2006, B62, 488-497. (view pdf)
  • X. Hao, S. Parkin & C. P. Brock, "The Unusual Phases of Anhydrous and Hydrated Pinacol", Acta Cryst., 2005, B61, 689-699. (view pdf)
  • X. Hao, M. A. Siegler, S. Parkin & C. P. Brock, "[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphs and Modulated Phases", Cryst. Growth Des., 2005, 5, 2225-2232.
  • X. Hao, S. Parkin & C. P. Brock, "Three Modulation Patterns in Four Related [M(15-crown-5)(H2O)2](NO3)2 Structures", ", Acta Cryst., 2005, B61, 675-688. (view pdf)
  • X. Hao, J. Chen, A. Cammers, S. Parkin & C. P. Brock, "A Helical Structure with Z'=10", Acta Cryst., 2005, B61, 218-226. (view pdf)
  • H.-J. Lehmler, S. Parkin & C. P. Brock, "Packing Conflicts in the Z'=5 Structure of CF3(CF2)3(CH2)10COOH", Acta Cryst., 2004, B60, 325-332. (view pdf)
  • S. Parkin, X. Hao & C. P. Brock, "2-Biphenylol Revisited", Acta Cryst., 2004, B60, 197-203. (view pdf)
  • S. A. Bajue, C. Lewis, K. Clarke, F. B. Bramwell, B. O. Patrick & C. P. Brock, "Isostructural or Not? Adducts of Some Aryltin Halides with E-1,2-Bis(4-pyridyl)ethene", Acta Cryst., 2003, C59, m207-m211. (view pdf)
  • A. F. Kiely, M. S. Meier, B. O. Patrick, J. P. Selegue & C. P. Brock, "7,8-(Dichloromethano)homo[70]fullerene, an Unusual, but Unexceptional, Methanoannulene", Helv. Chim. Acta, 2003, 1140-1151.
  • C. P. Brock, "Crystal Packing in vicinal Diols CnHm(OH)2", Acta Cryst., 2002, B58, 1025-1031. (view pdf)
  • C. P. Brock, "Phase Transitions During Crystal Growth?" Mol. Cryst. Liq. Cryst., 2002, 79-85.
  • C. P. Brock, "Personal Opinion on the Past, Present and Future of Crystallography", Zeit. Krist., 2002, 217, 286. (view pdf)
  • L. L. Duncan, B. O. Patrick & C. P. Brock, "Two Phases of C9H12O4: Why Is the Structure at 295 K So Complicated?", Acta Cryst., 2002, B58, 502-511. (view pdf)
  • H.-J. Lehmler, L. W. Robertson, S. Parkin & C. P. Brock, "Z'=4 Structure without Obvious Pseudosymmetry: Implications for the Formation of Solid-State Compounds", Acta Cryst., 2002, B58, 140-147. (view pdf)
  • P. A. Koutentis, R. C. Haddon, R. T. Oakley, A. W Cordes & C. P. Brock, "Perchlorophenalenyl Radical, C13Cl9: A Modulated Structure with Nine Threefold-Symmetric Molecules in the Asymmetric Unit", Acta Cryst., 2001, B57, 680-691. (view pdf)
  • A. Xia, J. P. Selegue, A. Carrillo, B. O. Patrick, S. Parkin & C. P. Brock, "Two Fluoradene Derivatives: Pseudosymmetry, Eccentric Ellipsoids, and a Phase Transition", Acta Cryst., 2001, B57, 507-516. (view pdf)
  • P. A. Koutentis, Y. Chen, Y. Cao, T. P. Best, M. E. Itkis, L. Beer, R. T. Oakley, A. W. Cordes, C. P. Brock, and R. C. Haddon, "Perchlorophenalenyl Radical, J. Am. Chem. Soc., 2001, 123, 3864-3871.
  • Xia, A.; Selegue, J. P.; Carrillo, A.; Brock, C. P. "Stereochemical Inversion of a Coordinated, Curved Hydrocarbon: Syntheses and Structures of exo- and endo-[Ru(h6-fluoradene)(h5-C5Me5)][CF3SO3]", J. Am. Chem. Soc. 2000, 122, 3973-3974.
  • Brock, C. P. "Systematic Study of Crystal Packing"; Howard, J. A. K.; Allen, F. H.; Shields, G. P., Ed.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1999; Vol. 360, pp 251-262.
  • Kiely, A. F.; Haddon, R. C.; Meier, M. S.; Selegue, J. P.; Brock, C. P.; Patrick, B. O.; Wang, G.-W.; Chen, Y. "The First Structurally Characterized Homofullerene (Fulleroid)", J. Am. Chem. Soc. 1999, 121, 7971-7972.
  • Fu, Y.; Brock, C. P. "Temperature Dependence of the Rigid-Body Motion of Anthraquinone", Acta Cryst. 1998, B54, 308-315.
  • Lloyd, M. A.; Patterson, G. E.; Brock, C. P. "(S,S)-trans-2,3-Tetralindiol", Acta Cryst. 1998, C54, 1486-1488.
  • Meier, M. S.; Wang, G.-W.; Haddon, R. C.; Brock, C. P.; Lloyd, M. A.; Selegue, J. P. "Benzyne Adds Across a Closed 5-6 Ring Fusion in C70: Evidence for Bond Delocalization in Fullerenes", J. Am. Chem. Soc. 1998, 120, 2337-2342.
  • Brock, C. P.; Fu, Y. "Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene", Acta Cryst. 1997, B53, 928-938.
  • Lloyd, M. A.; Brock, C. P. "Retention of 4-bar Symmetry in Compounds Containing MAr4 Molecules and Ions", Acta Cryst. 1997, B53, 780-786.
  • Lloyd, M. A.; Brock, C. P. "[MPh4][BPh4], M = P, As and Sb", Acta Cryst. 1997, B53, 773-779.
  • Brock, C. P.; Fu, Y. "Pentachlorotoluene: Rotational and Compositional Disorder", Acta Cryst. 1997, B53, 613-619.
  • Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S. "Planarity of Nitro-Substituted Phenothiazines", Acta Cryst. 1996, B52, 713-719.
  • Brock, C. P. "Investigations of the Systematics of Crystal Packing Using the Cambridge Structural Database", J. Res. Natl. Inst. Stand. Technol. 1996, 101, 321-325.
  • Brock, C. P.; Dunitz, J. D. "Towards a Grammar of Crystal Packing", Chem. Mater. 1994, 6, 1118-1127.
  • Brock, C. P.; Duncan, L. L. "Anomalous Space-Group Frequencies for Monoalcohols CnHmOH", Chem. Mater. 1994, 6, 1307-1312.
  • Brock, C. P.; Stoilov, I.; Watt, D. S. "A Steroid Derivative that Crystallizes with Three Molecules in the Asymmetric Unit", Acta Cryst. 1994, C50, 434-438.
  • Brock, C. P.; Dunitz, J. D. "On the Prevalence of Polar and Chiral Space Groups", Mol. Cryst. Liq. Cryst. 1994, 242, 329-337.
  • Brock, C. P.; Kwiatkowski, S.; Watt, D. S.; Sayed, A. "Two Closely Related Structures: (-)-(7aS)-2,3,7,7a-Tetrahydro-7a-phenylthio-1H-indene-1,5(6H)-dione and Its Racemic Compound", Acta Cryst. 1992, B48, 719-725.
  • Brock, C. P.; Dunitz, J. D. "Space-Group Frequencies", Acta Cryst. 1991, A47, 854.
  • Brock, C. P.; Schweizer, W. B.; Dunitz, J. D. "On the Validity of Wallach's Rule: On the Density and Stability of Racemic Crystals Compared with Their Chiral Counterparts", J. Am. Chem. Soc. 1991, 113, 9811-9820.
  • Brock, C. P.; Dunitz, J. D.; Hirshfeld, F. L. "Transferability of Deformation Densities Among Related Molecules: Atomic Multipole Parameters from Perylene for Improved Estimation of Molecular Vibrations in Naphthalene and Anthracene", Acta Cryst. 1991, B47, 789-797.
  • Brock, C. P.; Dunitz, J. D. "Temperature Dependence of Thermal Motion in Crystalline Anthracene", Acta Cryst. 1990, B46, 795-806.
  • Brock, C. P.; Minton, R. P. "Systematic Effects of Crystal-Packing Forces: Biphenyl Fragments with Hydrogen Atoms in All Four Ortho Positions", J. Am. Chem. Soc. 1989, 111, 4586-4593.
  • Brock, C. P.; Morelan, G. L. "Relationships Between Molecular Geometry, Crystal Packing, and Thermal Motion: Temperature-Dependent Studies of Three Crystal Forms of 4-Hydroxybiphenyl", J. Phys. Chem. 1986, 90, 5631-5640.
  • Brock, C. P.; Schweizer, W. B.; Dunitz, J. D. "Internal Molecular Motion of Triphenylphosphine Oxide: Analysis of Atomic Displacement Parameters for Orthorhombic and Monoclinic Crystal Modifications at 100 and 150 K", J. Am. Chem. Soc. 1985, 107, 6964-6970.
  • Brock, C. P.; Haller, K. L. "Redetermination of the Structure of the 3:1 Complex of 4,4'-Dinitrobiphenyl with 4-Hydroxybiphenyl, 3C12H8N2O4/C12H10O: Crystal Packing, Molecular Geometry and Thermal Motion", Acta Cryst. 1984, C40, 1387-1390.
  • Brock, C. P.; Huckaby, J. L.; Attig, T. G. "Effect of Crystal Packing on Linkage Isomerism in the [Palladium(1,1,7,7-tetraethyldiethylenetriamine)(thiocyanato)]+ Cation: Structures of the Hexafluorophosphate Salt and of Four Crystal Forms of the Tetraphenylborate Salt", Acta Cryst. 1984, B40, 595-606.
  • Brock, C. P.; Blackburn, J. R.; Haller, K. L. "Structure of 4-Biphenylcarboxylic acid, C13H10O2: Comparison of the TLS Tensors Derived from Independent-Atom and Rigid-Group Refinements", Acta Cryst. 1984, B40, 493-498.
  • Brock, C. P.; Haller, K. L. "Two Crystal Modifications of 4-Hydroxybiphenyl: The Biphenyl Structure Without an Inversion Center and a Fully Ordered Structure Containing Nearly Planar Molecules", J. Phys. Chem. 1984, 88, 3570-3574.
  • Brock, C. P.; Dunitz, J. D. "Temperature Dependence of Thermal Motion in Crystalline Naphthalene", Acta Cryst. 1982, B38, 2218-2228.
  • Brock, C. P.; Attig, T. G. "Influence of Crystal Packing on the h1®h3 Rearrangement of an Allyl Ligand. Solution and Solid-State Structures of the Tetraphenylborate and Hexafluorophosphate Salts of a Platinum Allyl Cation", J. Am. Chem. Soc. 1980, 102, 1319-1326.