Crystallography Open Database

Information card for entry 7221055

Preview

Coordinates	7221055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H18 Cd3 Cl0.5 N24 Na0.5 O6
Calculated formula	C120 H72 Cd12 Cl2 N96 Na2 O24
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	20.5415 ± 0.0007 Å
b	20.5415 ± 0.0007 Å
c	20.5415 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8667.6 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.0311
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7221055.cif
153132	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.	7221055.cif
141004	2015-07-08	cif/ Adding structures of 7221052, 7221053, 7221054, 7221055, 7221056, 7221057, 7221058, 7221059, 7221060 via cif-deposit CGI script.	7221055.cif