Crystallography Open Database

Information card for entry 7112974

Preview

Coordinates	7112974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 Cd N3 O4
Calculated formula	C10 H7 Cd N3 O4
Title of publication	Conversion of nonporous helical cadmium organic framework to a porous form.
Authors of publication	Gu, Zhi-Gang; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Thallapally, Praveen K.; Tian, Jian; Liu, Jun; Exarhos, Gregory J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	29
Pages of publication	5373 - 5375
a	21.1266 ± 0.0016 Å
b	21.1266 ± 0.0016 Å
c	13.967 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	5398.7 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0177
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0413
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112974.cif
112191	2014-04-30	cif/ Adding structures of 7112974, 7112975 via cif-deposit CGI script.	7112974.cif