Crystallography Open Database

Information card for entry 1548882

Preview

Coordinates	1548882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 B2 Co F8 N8
Calculated formula	C24 H38 B2 Co F8.00007 N8
Title of publication	Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.
Authors of publication	Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	10
Pages of publication	2750 - 2755
a	30.4582 ± 0.0016 Å
b	20.3058 ± 0.0011 Å
c	17.0511 ± 0.0009 Å
α	90°
β	120.178 ± 0.0007°
γ	90°
Cell volume	9116.5 ± 0.8 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	6
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	0.1335
Residual factor for significantly intense reflections	0.1226
Weighted residual factors for significantly intense reflections	0.3233
Weighted residual factors for all reflections included in the refinement	0.3322
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228637 (current)	2019-11-17	cif/ Updating files of 1548879, 1548880, 1548881, 1548882 Original log message: Adding full bibliography for 1548879--1548882.cif.	1548882.cif
206260	2018-02-07	cif/ Adding structures of 1548879, 1548880, 1548881, 1548882 via cif-deposit CGI script.	1548882.cif