Crystallography Open Database

Information card for entry 1557229

Preview

Coordinates	1557229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89.5 H19 Cl Cu F40 N8 Ni O3
Calculated formula	C89.5 H19 Cl Cu F40 N8 Ni O3
Title of publication	Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion
Authors of publication	Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	10
Pages of publication	2790 - 2795
a	47.886 ± 0.003 Å
b	13.8742 ± 0.0013 Å
c	28.061 ± 0.003 Å
α	90°
β	119.602 ± 0.002°
γ	90°
Cell volume	16210 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2124
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	0.863
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257287 (current)	2020-10-06	cif/ Updating files of 1557228, 1557229, 1557230, 1557231, 1557232 Original log message: Adding full bibliography for 1557228--1557232.cif.	1557229.cif
250211	2020-04-05	cif/ Updating files of 1557228, 1557229, 1557230, 1557231, 1557232 Original log message: Adding full bibliography for 1557228--1557232.cif.	1557229.cif
247873	2020-02-05	cif/ Adding structures of 1557228, 1557229, 1557230, 1557231, 1557232 via cif-deposit CGI script.	1557229.cif