Crystallography Open Database

Information card for entry 4511442

Preview

Coordinates	4511442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.67 H5.33 Cd9 N10.67 O25.33 S
Calculated formula	C26.46 H5.28 Cd9 N10.56 O25.18 S
Title of publication	A NaCl-like Metal−Organic Framework Constructed by Unprecedented Tetrahedral Cd4O6and Cd5O6Units
Authors of publication	Fang, Rui-Qing; Zhang, Xu-Hui; Zhang, Xian-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	12
Pages of publication	2637
a	20.3386 ± 0.0004 Å
b	20.3386 ± 0.0004 Å
c	20.3386 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8413.2 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	216
Hermann-Mauguin space group symbol	F -4 3 m
Hall space group symbol	F -4 2 3
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.217
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179661 (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 4/51/14.	4511442.cif
118596	2014-06-30	cif/ Adding structures of 4511442 via cif-deposit CGI script.	4511442.cif