Crystallography Open Database

Information card for entry 7217226

Preview

Coordinates	7217226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H174 Ca5 O44
Calculated formula	C156 H174 Ca5 O44
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	16.135 ± 0.003 Å
b	26.792 ± 0.005 Å
c	18.63 ± 0.004 Å
α	90°
β	110.57 ± 0.03°
γ	90°
Cell volume	7540 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.0864
Weighted residual factors for significantly intense reflections	0.2614
Weighted residual factors for all reflections included in the refinement	0.2786
Goodness-of-fit parameter for all reflections included in the refinement	1.196
Diffraction radiation wavelength	0.8 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.	7217226.cif
123424	2014-09-08	cif/ Updating files of 7217226, 7217227 Original log message: Adding full bibliography for 7217226--7217227.cif.	7217226.cif
120909	2014-07-30	cif/ Adding structures of 7217226, 7217227 via cif-deposit CGI script.	7217226.cif