Crystallography Open Database

Information card for entry 4121588

Preview

Coordinates	4121588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 Ca2 O23 P3
Calculated formula	C24 Ca2 O23 P3
Title of publication	Guest Molecule-Responsive Functional Calcium Phosphonate Frameworks for Tuned Proton Conductivity.
Authors of publication	Bazaga-García, Montse; Colodrero, Rosario M. P.; Papadaki, Maria; Garczarek, Piotr; Zoń, Jerzy; Olivera-Pastor, Pascual; Losilla, Enrique R.; León-Reina, Laura; Aranda, Miguel A. G.; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.; Cabeza, Aurelio
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	15
Pages of publication	5731
a	23.0652 ± 0.0007 Å
b	6.97311 ± 0.0001 Å
c	22.4165 ± 0.0007 Å
α	90°
β	91.54 ± 0.004°
γ	90°
Cell volume	3604.08 ± 0.17 Å³
Cell temperature	25 K
Ambient diffraction temperature	25 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 a 1
Hall space group symbol	P -2ya
RFsqd	0.1347
Goodness-of-fit parameter for all reflections	7.07
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6202 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179017 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/15.	4121588.cif
110334	2014-04-18	cif/ Updating files of 4121587, 4121588 Original log message: Adding full bibliography for 4121587--4121588.cif.	4121588.cif
108879	2014-04-03	cif/ Adding structures of 4121587, 4121588 via cif-deposit CGI script.	4121588.cif