Crystallography Open Database

Information card for entry 4328986

Preview

Coordinates	4328986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H25 N15 O12 Zn5
Calculated formula	C45 H25 N15 O12 Zn5
Title of publication	Porous Double-Walled Metal Triazolate Framework Based upon a Bifunctional Ligand and a Pentanuclear Zinc Cluster Exhibiting Selective CO2 Uptake
Authors of publication	Wen-Yang Gao; Wuming Yan; Rong Cai; Le Meng; Andrea Salas; Xi-Sen Wang; Lukasz Wojtas; Xiaodong Shi; Shengqian Ma
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4423 - 4425
a	28.368 ± 0.003 Å
b	28.368 ± 0.003 Å
c	33.958 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	27327 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	108
Hermann-Mauguin space group symbol	I 4 c m
Hall space group symbol	I 4 -2c
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179392 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/89.	4328986.cif
78026	2013-04-01	cif/ Adding structures of 4328986 via cif-deposit CGI script.	4328986.cif