Crystallography Open Database

Information card for entry 7228067

Preview

Coordinates	7228067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 Cl4 N8
Calculated formula	C29 H32 Cl4 N8
Title of publication	Mixed halide/oxoanion-templated frameworks
Authors of publication	Morshedi, Mahbod; White, Nicholas G.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	17
Pages of publication	2367
a	11.7352 ± 0.0002 Å
b	11.7352 ± 0.0002 Å
c	25.3812 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3495.4 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.1458
Residual factor for significantly intense reflections	0.144
Weighted residual factors for all reflections	0.2419
Weighted residual factors for significantly intense reflections	0.2413
Weighted residual factors for all reflections included in the refinement	0.2419
Goodness-of-fit parameter for all reflections included in the refinement	1.0381
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196377 (current)	2017-05-06	cif/ Updating files of 7228063, 7228064, 7228065, 7228066, 7228067 Original log message: Adding full bibliography for 7228063--7228067.cif.	7228067.cif
195398	2017-04-13	cif/ Adding structures of 7228063, 7228064, 7228065, 7228066, 7228067 via cif-deposit CGI script.	7228067.cif