WebThe asymmetric unit of the title compound, 2C10H11N5O·C6H10O4, consists of a 2,4-diamino-6-(4-methoxyphenyl)-1,3,5-triazine molecule and one-half molecule of adipic acid which lies about an inversion center. The triazine ring makes a dihedral angle of 12.89 (4)° with the adjacent benzene ring. In the crystal, the components are linked by N—H⋯O … WebMay 18, 2024 · CheckCIF-PLAT931-949. Check the proposed Twin Law. The entry in () represents the proposed rotation axis in reciprocal space and the one in [] the …
How to remove Alert level A PLAT939_ALERT_3_A Large Value
Webthe checkcif routine DIFMN03_ALERT_1_C The minimum difference density is < -0.1*ZMAX*0.75 The relevant atom site should be identified. Author Response: This is within the metal core and is attributed to unmodelled \ relatively small twin components. The unmodelled twinning is well below the 10% minor component which is modelled WebPLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 9 PLAT939_ALERT_3_B Large Value of Not (SHELXL) Weight Optimized S . 282.50 ... experimental section of a paper or in the "special_details" fields of the CIF. checkCIF was carefully designed to identify outliers and unusual parameters, but every test has its … layered fine hair medium haircuts
checkCIF/PLATON report - University of St Andrews
WebcheckCIF reports on the consistency and integrity of crystal structure determinations reported in CIF format. The following information is organized in question-and-answer … WebDetails of how to use checkCIF/PLATON reports are given elsewhere. Browse tests. Test name: Type: Purpose: ABSMU01: 1: To check that _exptl_absorpt_coefficient_mu value is consistent with the cell contents. ABSTY01: 1: ... PLAT934: 3: Report number of outliers in the FCF file: PLAT935: 2: Pseudo Extinction Parameter Test: PLAT936: 2: Test for ... WebcheckCIF. A service of the International Union of Crystallography. checkCIF reports on the consistency and integrity of crystal structure determinations reported in CIF format. … layered fine hair