Crystallography Open Database

Information card for entry 4003303

Preview

Coordinates	4003303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H15 Cl Fe3 N3 O16
Calculated formula	C24 H9 Cl1.01 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	21.872 ± 0.0009 Å
b	21.872 ± 0.0009 Å
c	21.872 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	10463.2 ± 0.7 Å³
Cell temperature	225 ± 2 K
Ambient diffraction temperature	225 ± 2 K
Number of distinct elements	6
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	0.0917
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.1804
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231507 (current)	2019-11-22	cif/ Adding structures of 4003303 via cif-deposit CGI script.	4003303.cif