Crystallography Open Database

Information card for entry 1564343

Preview

Coordinates	1564343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.86 H48.51 Br2 Cu2 N6 O14.22
Calculated formula	C69.864 H48.508 Br2 Cu2 N6 O14.218
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	31.9635 ± 0.0007 Å
b	7.78 ± 0.0001 Å
c	30.6494 ± 0.0006 Å
α	90°
β	115.897 ± 0.003°
γ	90°
Cell volume	6856.4 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1904
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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.	1564343.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.	1564343.cif