Crystallography Open Database

Information card for entry 4510216

Preview

Coordinates	4510216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.08 H53.26 Cu3 N10 O27.55 S2.54
Calculated formula	C34.23 H12 Cu3 N10 O27.5071 S2.4835
Title of publication	Microporous Heptazine Functionalized (3,24)-Connectedrht-Metal‒Organic Framework: Synthesis, Structure, and Gas Sorption Analysis
Authors of publication	Luebke, Ryan; Weseliński, Łukasz J.; Belmabkhout, Youssef; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	414
a	27.934 ± 0.002 Å
b	27.934 ± 0.002 Å
c	41.081 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	32056 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2283
Weighted residual factors for all reflections included in the refinement	0.2405
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
179649 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02.	4510216.cif
107650	2014-03-21	cif/ Adding structures of 4510216 via cif-deposit CGI script.	4510216.cif