Crystallography Open Database

Information card for entry 4507159

Preview

Coordinates	4507159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 Cd6 Cl6 N24 O0.5
Calculated formula	C12 H18 Cd6 Cl6 N24 O0.5
Title of publication	Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties
Authors of publication	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	2
Pages of publication	510
a	22.2366 ± 0.0002 Å
b	22.2366 ± 0.0002 Å
c	18.6742 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9233.76 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4507159.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507159.cif
73832	2013-02-21	cif/ Adding structures of 4507159 via cif-deposit CGI script.	4507159.cif