Crystallography Open Database

Information card for entry 7217227

Preview

Coordinates	7217227.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZnCaBTB
Chemical name	ZnCaBTB
Formula	C69.25 H65.28 Ca O19.14 Zn2
Calculated formula	C69.258 H65.316 Ca O19.136 Zn2
Title of publication	Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains
Authors of publication	Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	37
Pages of publication	8664
a	16.55 ± 0.002 Å
b	16.55 ± 0.002 Å
c	14.748 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	3498.3 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.2006
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180503 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72.	7217227.cif
123424	2014-09-08	cif/ Updating files of 7217226, 7217227 Original log message: Adding full bibliography for 7217226--7217227.cif.	7217227.cif
120909	2014-07-30	cif/ Adding structures of 7217226, 7217227 via cif-deposit CGI script.	7217227.cif