Crystallography Open Database

Information card for entry 1564341

Preview

Coordinates	1564341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100.1 H74.4 Cl12 N24 O2.2 Zn6
Calculated formula	C100.1 H74.4 Cl11.998 N24 O2.2 Zn5.999
Title of publication	Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.
Authors of publication	Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki
Journal of publication	The Analyst
Year of publication	2021
Journal volume	146
Journal issue	17
Pages of publication	5230 - 5235
a	33.96777 ± 0.00012 Å
b	14.44849 ± 0.00004 Å
c	31.66428 ± 0.00014 Å
α	90°
β	102.711 ± 0.0004°
γ	90°
Cell volume	15159.4 ± 0.1 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.2131
Weighted residual factors for all reflections included in the refinement	0.2169
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268490 (current)	2021-09-06	cif/ Updating files of 1564341, 1564342, 1564343, 1564344, 1564345, 1564346, 1564347, 1564348, 1564349, 1564350, 1564351, 1564352, 1564353, 1564354 Original log message: Adding full bibliography for 1564341--1564354.cif.	1564341.cif
268048	2021-08-13	cif/ Adding structures of 1564341, 1564342, 1564343, 1564344, 1564345, 1564346, 1564347, 1564348, 1564349, 1564350, 1564351, 1564352, 1564353, 1564354 via cif-deposit CGI script.	1564341.cif