Crystallography Open Database

Information card for entry 7128188

Preview

Coordinates	7128188.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(guanidinium)6Fe2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )3.7H2O
Formula	C144 H170 Fe4 N48 O61
Calculated formula	C144 H170 Fe4 N48 O61
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	14.1272 ± 0.0012 Å
b	14.8356 ± 0.0014 Å
c	20.795 ± 0.0018 Å
α	89.584 ± 0.004°
β	74.544 ± 0.003°
γ	77.368 ± 0.004°
Cell volume	4093 ± 0.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1383
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1952
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	7128188.cif
264284	2021-04-18	cif/ Adding structures of 7128186, 7128187, 7128188, 7128189, 7128190, 7128191, 7128192 via cif-deposit CGI script.	7128188.cif