Crystallography Open Database

Information card for entry 7209743

7209742 << 7209743 >> 7209744

Preview

Coordinates	7209743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.5 H0.5 Cl0.1 N2 Ni0.42 O0.38
Calculated formula	C1.5 H0.5 Cl0.1125 N2 Ni0.415 O0.375
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	18.5564 ± 0.0003 Å
b	18.5564 ± 0.0003 Å
c	18.5564 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6389.71 ± 0.18 Å³
Cell temperature	423 ± 2 K
Ambient diffraction temperature	423 ± 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	0.0801
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1866
Goodness-of-fit parameter for all reflections included in the refinement	1.183
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.	7209743.cif
86085	2013-05-09	cif/ Adding structures of 7209738, 7209739, 7209740, 7209741, 7209742, 7209743 via cif-deposit CGI script.	7209743.cif