Crystallography Open Database

Information card for entry 7216862

Preview

Coordinates	7216862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H16 Ca4 F16 O24
Calculated formula	C32 H16 Ca4 F16 O24
Title of publication	Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption
Authors of publication	Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	33
Pages of publication	7673
a	14.8357 ± 0.0007 Å
b	14.8357 ± 0.0007 Å
c	6.7854 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1493.45 ± 0.17 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180499 (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 7/21/68.	7216862.cif
121615	2014-08-08	cif/ Updating files of 7216862, 7216863, 7216864 Original log message: Adding full bibliography for 7216862--7216864.cif.	7216862.cif
118256	2014-06-28	cif/ Adding structures of 7216862, 7216863, 7216864 via cif-deposit CGI script.	7216862.cif