Crystallography Open Database

Information card for entry 4003301

Preview

Coordinates	4003301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H9 Fe3 N3 O16
Calculated formula	C24 H9 Fe3 N3 O16
Title of publication	Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study
Authors of publication	Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed
Journal of publication	Chemistry of Materials
Year of publication	2016
Journal volume	28
Journal issue	20
Pages of publication	7353
a	21.9524 ± 0.0006 Å
b	21.9524 ± 0.0006 Å
c	21.9524 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	10579 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	218
Hermann-Mauguin space group symbol	P -4 3 n
Hall space group symbol	P -4n 2 3
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.7709 Å
Diffraction radiation type	synchrotronx-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231505 (current)	2019-11-22	cif/ Adding structures of 4003301 via cif-deposit CGI script.	4003301.cif