Crystallography Open Database

Information card for entry 7128189

Preview

Coordinates	7128189.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(guanidinium)6Fe2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )3.4H2O
Formula	C144 H162 Fe4 N48 O57
Calculated formula	C144 H162 Fe4 N48 O57
Title of publication	A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry.
Authors of publication	Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	42
Pages of publication	5143 - 5146
a	43.027 ± 0.004 Å
b	9.8262 ± 0.0008 Å
c	20.9293 ± 0.0018 Å
α	90°
β	107.536 ± 0.004°
γ	90°
Cell volume	8437.5 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0992
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.1909
Weighted residual factors for all reflections included in the refinement	0.2041
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265864 (current)	2021-06-05	cif/ Updating files of 7128186, 7128187, 7128188, 7128189, 7128190, 7128191, 7128192 Original log message: Adding full bibliography for 7128186--7128192.cif.	7128189.cif
264284	2021-04-18	cif/ Adding structures of 7128186, 7128187, 7128188, 7128189, 7128190, 7128191, 7128192 via cif-deposit CGI script.	7128189.cif