\$\-2PI\^2\[h\^2aSTAR\^2\s*\s*TIMES\s*U11\+\s*\.\.\.\s*\+2hkaSTAR\s*TIMES\s*bSTAR\s*TIMES\s*U12\]\$ :: -2PI^2[{\i aSTAR}^2 TIMES U11 + ... 2{\i hkaSTAR} TIMES {\i bSTAR} TIMES U12] Uij :: {\i U{\sub ij}} U11 :: {\i U{\sub 11}} U12 :: {\i U{\sub 12}} U13 :: {\i U{\sub 13}} U21 :: {\i U{\sub 21}} U22 :: {\i U{\sub 22}} U23 :: {\i U{\sub 23}} U31 :: {\i U{\sub 31}} U32 :: {\i U{\sub 32}} U33 :: {\i U{\sub 33}} Ueq :: {\i U{\sub eq}} Uiso :: {\i U{\sub iso}} R1 :: {\i R{\sub 1}} wR2 :: {\i wR{\sub 2}} Rint :: {\i R{\sub int}} \^2 :: {\super 2} \^3 :: {\super 3} \^4 :: {\super 4} \^\-2 :: {\super -2} \^\-3 :: {\super -3} \^\-4 :: {\super -4} 1/3 :: 1/3 DEGREES :: {\super\'b0} \PERCENT :: % ANGST :: \\'c5 TIMES :: \'d7 alpha\s*= :: {\\i \\f2 a} = beta\s*= :: {\\i \\f2 b} = gamma\s*= :: {\\i \\f2 g} = ALPHA :: {\\i \\f2 a} BETA :: {\\i \\f2 b} GAMMA :: {\\i \\f2 g} THETA :: {\\i \\f2 q} PHI :: {\\i \\f2 f} OMEGA :: {\\i \\f2 w} PI :: {\\i \\f2 p} a\s*= :: {\i a} = b\s*= :: {\i b} = c\s*= :: {\i c} = V\s*= :: {\i V} = ADPEXPONENT :: {-2 pi^{2}[h^{2}a*^{2}U_{11}+...+2hka \\times b \\times U_{12}]} Dcalc :: {\i D{\sub calc.}}/ g cm{\super -3} mu/ :: {\\i \\f2 m}/ pi/ :: {\\i \\f2 p}/ mm\^-1 :: mm{\super -1} mm\^3 :: mm{\super 3} Thetamin :: {\i \\f2 Q{\\f1 \sub{min}}} Thetamax :: {\i \\f2 Q{\\f1 \sub{max}}} \\Z :: {\i Z} \\T :: {\i T} \\V :: {\i V} #TABLE DEFINITIONS ######################################################## FRACTIONAL_ATOMIC_COORDINATES_TABLE_DEF_TABL ::\\begin{tabular}{@{}l*{4}{D{.}{.}{7}}@{}} FRACTIONAL_ATOMIC_COORDINATES_TABLE_DEF_LONGTABLE :: \\begin{longtable}{ l l l l l } ADP_TABLE_DEF_TABULAR ::\\begin{tabular}{@{}l*{6}{D{.}{.}{7}}@{}} ADP_TABLE_DEF_LONGTABLE ::\\begin{longtable}{l l l l l l l} BOND_LENGTH_DEF_TABULAR :: \\begin{tabular}{@{}l l l*{1}{D{.}{.}{7}} l l l l *{1}{D{.}{.}{7}}@{}} BOND_LENGTH_DEF_LONGTABLE :: \\begin{longtable}{l l l l l l l} BOND_ANGLES_DEF_TABULAR :: \\begin{tabular}{@{}l l l*{1}{D{.}{.}{7}} l l l l *{1}{D{.}{.}{7}}@{}} BOND_ANGLES_DEF_LONGTABLE :: \\begin{longtable}{@{}l l l*{1}{D{.}{.}{7}} l l l l *{1}{D{.}{.}{7}}@{}} HAC_DEF_TABULAR :: \\begin{tabular}{@{}l*{6}{D{.}{.}{7}}@{}} HAC_DEF_LONGTABLE :: \\begin{longtable}{@{}l*{6}{D{.}{.}{7}}@{}} HBONDS_DEF_TABULAR :: \\begin{tabular}{l l l*{4}{D{.}{.}{7}}@{}} HBONDS_DEF_LONGTABLE :: \\begin{longtable}{l l l l l l l} TABLE_NUMBER :: {\\field{\\STAR\\fldinst\\b { SEQ Table \\\\STAR MERGEFORMAT }}{\\fldrslt {0}}} #REFNUMBER :: "%s{\\\\STAR\\\\bkmkstart UNDERSCORERef%s}{\\\\rtlch\\\\fcs1 \\\\af31507 \\\\ltrch\\\\fcs0 \\\\cs16\\\\super\\\\insrsid4085201 \\\\chftn\\\\chftn{ \\\\footnote \\\\pard\\\\plain \\\\s246 \\\\fs20{\\\\up6\\\\chftn %s}}}{\\\\STAR\\\\bkmkend UNDERSCORERef%s} " #REFTOFOOTNOTE :: "%s{\\field{\\STAR\\fldinst NOTEREF UNDERSCORERef%s \\h}{\\up6\\fldrslt 0}} " #REF_ENDNOTE :: \\chftn{\\footnote\\ftnalt \\pard\\plain \\s246 \\fs20{\\up6\\chftn } CAPTION_ON :: "\\pard \\sb300 \\sa10 \\fs20{{\\b Table {\\field{\\STAR\\fldinst\\b { SEQ Table \\\\STAR MERGEFORMAT }}{\\fldrslt {0}}}}: " CAPTION_OFF :: \\par \\ltrrow} CAPTION_PAR :: \\par\\pard\\plain \\s62\\sb10\\sa10\\keepn\\widctlpar \\f1\\fs28 TABLE_PAR :: \\pard\\par\\sa40\\f1\\fs20 CELLCHAR :: "\\cell\\pard " ROWCHAR :: "\\cell\\row " DECTABWIDE :: "\\pard\\tqdec\\tx800 " DECTABNARROW :: "\\pard\\tqdec\\tx100 " DEFTAB :: "\\pard " DECTAB :: "\\pard\\tqdec\\tx400 " #HEADROWBORDER :: "\\brdrs\\brdrw10 \\clbrdrl\\brdrnone \\clbrdrb\\brdrs\\brdrw10 \\clbrdrr\\brdrnone \\cltxlrtb" HEADROWBORDER :: "\\clbrdrt\\brdrs\\clbrdrb\\brdrs\\clvertalc "
:: "\\par " was\s*The\s*crystal\s*was\s*mounted :: "was mounted" (.*?)<\/b> :: {\\b \1} (.*?)<\/i> :: {\\i \1} UNDERSCORE :: _ STAR :: * HASH :: # SHELXTL :: ShelXTL CRYSALISPRO :: CrysAlisPro SHEL :: Shel OLEX2 :: Olex2