Crystallography Open Database

Information card for entry 7228065

Preview

Coordinates	7228065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 Br2 N8 O4
Calculated formula	C31 H32 Br2 N8 O4
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	12.07173 ± 0.00018 Å
b	12.07173 ± 0.00018 Å
c	11.3545 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1654.65 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for all reflections	0.188
Weighted residual factors for significantly intense reflections	0.1877
Weighted residual factors for all reflections included in the refinement	0.188
Goodness-of-fit parameter for all reflections included in the refinement	1.0299
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.	7228065.cif
195398	2017-04-13	cif/ Adding structures of 7228063, 7228064, 7228065, 7228066, 7228067 via cif-deposit CGI script.	7228065.cif