Crystallography Open Database

Information card for entry 7209742

7209741 << 7209742 >> 7209743

Preview

Coordinates	7209742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.5 H0.5 Cl0.13 N2 Ni0.31 O0.25
Calculated formula	C1.5 H0.5 Cl0.1275 N2 Ni0.315 O0.25
Title of publication	Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate
Authors of publication	Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	17
Pages of publication	3377
a	18.6483 ± 0.0003 Å
b	18.6483 ± 0.0003 Å
c	18.6483 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6485.12 ± 0.18 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.2012
Weighted residual factors for all reflections included in the refinement	0.2056
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7209742.cif
86085	2013-05-09	cif/ Adding structures of 7209738, 7209739, 7209740, 7209741, 7209742, 7209743 via cif-deposit CGI script.	7209742.cif