Crystallography Open Database

Information card for entry 4505101

Preview

Coordinates	4505101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Cd N14 O0
Calculated formula	C14 H16 Cd N14
Title of publication	Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands
Authors of publication	Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	5
Pages of publication	1775
a	16.347 ± 0.006 Å
b	9.346 ± 0.003 Å
c	7.156 ± 0.002 Å
α	90°
β	111.551 ± 0.004°
γ	90°
Cell volume	1016.9 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
179586 (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 4/50/51.	4505101.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505101.cif
50162	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4505095, 4505096, 4505097, 4505098, 4505099, 4505100, 4505101, 4505102 via cif-deposit CGI script.	4505101.cif