Crystallography Open Database

Information card for entry 7158030

Preview

Coordinates	7158030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H134 Fe2 N24 O24
Calculated formula	C120 H134 Fe2 N24 O24
Title of publication	Water binding stabilizes stacked conformations of ferrocene containing sheet-like aromatic oligoamides.
Authors of publication	Liu, Ya-Zhou; Mu, Xiao; Chan, Cheih-Kai; Robeyns, Koen; Wang, Cheng-Chung; Singleton, Michael L.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	25
Pages of publication	5521 - 5524
a	14.0152 ± 0.0003 Å
b	32.06 ± 0.0007 Å
c	27.4484 ± 0.0005 Å
α	90°
β	101.878 ± 0.0018°
γ	90°
Cell volume	12069.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1062
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
267242 (current)	2021-07-05	cif/ Updating files of 7158030 Original log message: Adding full bibliography for 7158030.cif.	7158030.cif
264335	2021-04-20	cif/ Adding structures of 7158030 via cif-deposit CGI script.	7158030.cif