Crystallography Open Database

Information card for entry 4504268

Preview

Coordinates	4504268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H5 Cd N2 O2
Calculated formula	C8 H5 Cd N2 O5
Title of publication	Assemblies of Two New Metal−Organic Frameworks Constructed from Cd(II) with 2,2‘-Bipyrimidine and Cyclic Oxocarbon Dianions CnOn2-(n= 4, 5)
Authors of publication	Wang, Chih-Chieh; Kuo, Chen-Tsung; Yang, Jing-Chun; Lee, Gene-Hsiang; Shih, Wei-Ju; Sheu, Hwo-Shuenn
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	8
Pages of publication	1476
a	7.5532 ± 0.0006 Å
b	7.642 ± 0.0006 Å
c	8.4674 ± 0.0007 Å
α	71.386 ± 0.001°
β	73.065 ± 0.001°
γ	74.956 ± 0.001°
Cell volume	435.56 ± 0.06 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0468
Weighted residual factors for all reflections included in the refinement	0.0473
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179577 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/42.	4504268.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504268.cif
45013	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504268 via cif-deposit CGI script.	4504268.cif