Crystallography Open Database

Information card for entry 7221054

Preview

Coordinates	7221054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H36 Br Cd6 N48 Na O12
Calculated formula	C60 H36 Br Cd6 N48 Na O12
Title of publication	Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks
Authors of publication	Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	32
Pages of publication	6103
a	20.554 ± 0.0009 Å
b	20.554 ± 0.0009 Å
c	20.554 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8683.4 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
153132 (current)	2015-08-08	cif/ Updating files of 7221052, 7221053, 7221054, 7221055, 7221056, 7221057, 7221058, 7221059, 7221060 Original log message: Adding full bibliography for 7221052--7221060.cif.	7221054.cif
141004	2015-07-08	cif/ Adding structures of 7221052, 7221053, 7221054, 7221055, 7221056, 7221057, 7221058, 7221059, 7221060 via cif-deposit CGI script.	7221054.cif