Crystallography Open Database

Information card for entry 7111713

Preview

Coordinates	7111713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Cd2 N8 O5
Calculated formula	C10 H8 Cd2 N8 O5
Title of publication	Two unprecedented 10-connected bct topological metal‒organic frameworks constructed from cadmium clusters
Authors of publication	Song, Wei-Chao; Pan, Qinhe; Song, Peng-Chao; Zhao, Qiang; Zeng, Yong-Fei; Hu, Tong-Liang; Bu, Xian-He
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	27
Pages of publication	4890 - 4892
a	9.2973 ± 0.0019 Å
b	15.745 ± 0.003 Å
c	13.608 ± 0.004 Å
α	90°
β	132.835 ± 0.018°
γ	90°
Cell volume	1460.8 ± 0.7 Å³
Cell temperature	293.1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
180231 (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 7/11/17.	7111713.cif
96746	2014-01-29	cif/ Adding structures of 7111713, 7111714 via cif-deposit CGI script.	7111713.cif